Length
491
Pocket druggability (P2Rank · AlphaFold DB model)
0.904
Direct ligand evidence
0
100 total records
Functional annotation
0 EC
6 GO
Target summary
Promising target candidate with multiple supporting evidence streams.
Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.
Main supporting evidence
Independent pocket support: P2Rank + FPocket
Both predictors report a high-scoring binding site (P2Rank 0.90, FPocket 0.74). Use the 3D pocket comparison to verify whether they identify the same site.
Strong predicted binding pocket
FPocket selected-pocket score 0.74. This is a computational pocket signal, not binding validation.
Second pocket predictor agrees
P2Rank predicted binding-site probability 0.90.
Structure available
AlphaFold DB model + ColabFold model
Review the complete evidence below
Risks to review
Human similarity
Top human hit identity: 30.488%. This target also has a predicted binding pocket (P2Rank 0.90) — check the ligand evidence before deprioritizing on off-target risk alone.
Microbiome similarity
113 of 4744 screened genomes (2.4%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.90) — check the ligand evidence before deprioritizing on off-target risk alone.
Mixed conservation
Core/accessory calls are not fully concordant.
Evidence coverage
Core evidence streams are available for this target.
Terms and data sources used on this page
PDB: experimentally determined structures from the Protein Data Bank. These are the strongest structural evidence, but may cover only part of the protein.
AlphaFold DB model: a precomputed predicted structure downloaded from AlphaFold Database/UniProt, not an experiment performed here.
ColabFold model: a predicted structure generated for this workspace; interpret it with coverage and confidence.
pLDDT: confidence score for predicted structures. High values support local geometry; low values mean the region should not drive pocket interpretation.
FPocket / P2Rank: software tools that predict possible ligand-binding pockets on a 3D structure. They are useful screening signals, not experimental validation.
Druggability: a pocket-based estimate of whether a small molecule could bind productively. It does not mean a drug already exists.
PDB ligand: a compound observed in an experimental structure. Direct same-protein records are stronger than homolog-transferred records.
ChEMBL: a public database of measured compound bioactivity. Direct entries are stronger than entries transferred from similar proteins.
ZINC: a purchasable-compound database. Here it marks proposed candidates from chemical similarity, not measured binders.
LigQ / LigQ_2: an internal Target pipeline step that gathers PDB, ChEMBL, and ZINC ligand evidence for each protein.
Off-target: sequence similarity to proteins we prefer not to hit, such as human proteins or beneficial gut microbiome proteins.
DEG: Database of Essential Genes. A match suggests the protein resembles genes known to be essential in other organisms.
Roary / CoreCruncher: pan-genome tools used to decide whether a gene is core across analyzed strains or accessory/strain-specific.
EC / GO: functional annotations: EC describes enzyme reactions; GO describes biological process, molecular function, or cellular component.
KEGG pathway: a curated metabolic route label used here to group reactions imported from the metabolic model.
Chokepoint: a metabolic reaction that is the only producer or consumer of a metabolite in the imported model.
Prioritization evidence
Selectivity, essentiality, structural confidence, conservation, and predicted binding-site evidence.
Off-target risk
- Human off-target
- Hit
- Human identity (%)
- 30.488 Lower values reduce human off-target concern.
- Human E-value
- 1.76e-08
- Gut microbiome similarity
- 2.4% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.
Essentiality
- Essential (DEG)
- N
- DEG identity (%)
- 39.152 Higher values support similarity to known essential genes.
Structure confidence
- ColabFold pLDDT
- 91.89 0-100 confidence; >70 supports local structural interpretation.
Binding-site evidence
AlphaFold DB / UniProt modelP2Rank's binding-site probability is the primary druggability signal shown across the app; FPocket's druggability score is shown alongside it for comparison. Both estimate small-molecule pocket quality after applying the curated structure priority — neither is experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.
Druggability (P2Rank)
0.904
Druggability (FPocket)
0.742
ColabFold model
Core conservation
Accessory gene
Gut microbiome
113 / 4744
genomes with a hit
Sequence
Primary amino-acid sequence viewer.
MSSHYLRIFQQPKSAILLILGFASGLPLALTSGTLQAWMTVENIDLKTIGFFSLVGQAYVFKFLWSPLMDRYTPPFLGRRRGWLLTTQVLLLLAIAAMGFLEPVTQLRWMAALAVVIAFCSASQDIVFDAWKTDVLPAEERGAGAAISVLGYRLGMLVSGGLALWLADRYLGWQGMYWLMAALLVPCIIATLLAPEPSGVIPVPRSLEQAVAEPLRDFFGRNNAWLILLLIVLYKLGDAFAMSLTTTFLIRGVGFDAGEVGMVNKTLGLFATILGALYGGVLMQRLTLFRALLIFGLLQGVSNAGYWLLSITDKHLYSMATAVFFENLCGGMGTAAFVALLMTLCNKSFSATQFALLSALSAVGRVYVGPIAGWFVEAHGWSTFYLFSVVAAVPGIALLLLCRQTLEHTQRTASFMPRSEFPQAYALALGILTLGCLLLAVWLALLILNALDYTSFSFLSGLLEVAALTAVGGILFGGLLDYLALRKTRLI
Functional annotations
Enzyme classification and Gene Ontology terms linked to this protein.
6 GO
Subcellular localization
- Localization
- CytoplasmicMembrane
Gene Ontology (GO)
6- GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
- GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
- GO:0015293 Enables the active transport of a solute across a membrane by a mechanism whereby two or more species are transported together in the same direction in a tightly coupled process not directly linked to a form of energy other than chemiosmotic energy.
- GO:0071555 A process that results in the assembly, arrangement of constituent parts, or disassembly of the cell wall, the rigid or semi-rigid envelope lying outside the cell membrane of plant, fungal and most prokaryotic cells, maintaining their shape and protecting them from osmotic lysis.
Sequence domains and features
Domain and signature matches imported from InterPro and related databases.
59 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 458 | 480 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 144 | 166 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 377 | 381 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 132 | 142 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 177 | 195 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 16 | 38 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 13 | 406 | ProSiteProfiles | PS50850 | Major facilitator superfamily (MFS) profile. |
| 13 | 406 | InterPro | IPR020846 | Major facilitator superfamily domain |
| 426 | 448 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 109 | 131 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 310 | 314 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 196 | 224 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 446 | 464 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 17 | 402 | CDD | cd17486 | MFS_AmpG_like |
| 62 | 81 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 382 | 403 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 260 | 282 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 166 | 176 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 424 | 445 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 4 | 412 | PANTHER | PTHR12778 | SOLUTE CARRIER FAMILY 33 ACETYL-COA TRANSPORTER -RELATED |
| 4 | 412 | InterPro | IPR004752 | AmpG-like permease/Acetyl-coenzyme A transporter 1 |
| 107 | 131 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 486 | 491 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 39 | 43 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 181 | 203 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 220 | 412 | FunFam | G3DSA:1.20.1250.20:FF:000080 | Muropeptide transporter AmpG |
| 404 | 423 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 11 | 203 | FunFam | G3DSA:1.20.1250.20:FF:000072 | Muropeptide transporter AmpG |
| 15 | 38 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 25 | 363 | NCBIfam | TIGR00901 | AmpG family muropeptide MFS transporter |
| 287 | 309 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 319 | 341 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 48 | 69 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 223 | 245 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 315 | 342 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 82 | 104 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 14 | 405 | SUPERFAMILY | SSF103473 | MFS general substrate transporter |
| 14 | 405 | InterPro | IPR036259 | MFS transporter superfamily |
| 354 | 376 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 82 | 101 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 225 | 250 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 14 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 282 | 287 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 262 | 281 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 380 | 402 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 465 | 485 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 251 | 261 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 102 | 106 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 354 | 376 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 44 | 61 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 288 | 309 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 343 | 353 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 220 | 413 | Gene3D | G3DSA:1.20.1250.20 | MFS general substrate transporter like domains |
| 220 | 413 | InterPro | IPR036259 | MFS transporter superfamily |
| 13 | 201 | Gene3D | G3DSA:1.20.1250.20 | MFS general substrate transporter like domains |
| 13 | 201 | InterPro | IPR036259 | MFS transporter superfamily |
| 17 | 366 | Pfam | PF07690 | Major Facilitator Superfamily |
| 17 | 366 | InterPro | IPR011701 | Major facilitator superfamily |
| 143 | 165 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
3D structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; AlphaFold DB and ColabFold models typically cover the full protein but remain computational predictions.
How colors and pocket overlays are used
Uniform protein color marks the displayed model as a single molecular object.
Experimental PDB structures may be colored by chain to distinguish subunits or copies present in the file.
Pocket colors and alpha spheres are evidence overlays for predicted binding cavities; they are not alternative protein chains.
'Alpha spheres' is FPocket's own cavity-shape geometry, imported when available and aligned with the loaded structure.
'Pocket atoms'/'Predicted site atoms' show the pocket's residue atoms instead: P2Rank reports residues rather than alpha spheres, and FPocket falls back to this when alpha-sphere geometry is unavailable or doesn't align.
'No pocket geometry' means neither alpha spheres nor residue-position data could be found for that pocket; the layer just highlights the same residues as 'Nearby residues'.
Pocket details Inspect a specific pocket, or open the full viewer
Selected pocket
-
- Method
- -
- Score
- -
- Visible layer
- -
- Residues
- -
- Pocket properties
- -
Selecting a pocket opens its details and centers the viewer without clearing other active layers. Use Focus this pocket when you want to hide the rest; use Surface for the wider residue environment.
Binding pockets · P2Rank
Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2
Pocket 1
P2Rank #1
0.904
Surrounding area
Pocket 2
P2Rank #2
0.777
Likely same site as FPocket 17
5.9 Å
12 shared residues
100% of smaller site
Show in viewer
Surrounding area
Pocket 3
P2Rank #3
0.205
Surrounding area
Pocket 4
P2Rank #4
0.047
Surrounding area
Pocket 5
P2Rank #5
0.044
Surrounding area
Binding pockets · FPocket
Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4
Pocket 1
FPocket #17
0.742
Likely same site as P2Rank 2
5.9 Å
12 shared residues
100% of smaller site
Show in viewer
Surrounding area
Pocket 2
FPocket #35
0.632
Surrounding area
Pocket 3
FPocket #26
0.397
Surrounding area
Binding pockets · P2Rank
Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2
Pocket 1
P2Rank #1
0.883
Surrounding area
Pocket 2
P2Rank #2
0.551
Likely same site as FPocket 36
7.7 Å
9 shared residues
75% of smaller site
Show in viewer
Surrounding area
Pocket 3
P2Rank #3
0.177
Surrounding area
Pocket 4
P2Rank #4
0.058
Surrounding area
Pocket 5
P2Rank #5
0.019
Surrounding area
Binding pockets · FPocket
Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4
Pocket 1
FPocket #37
0.77
Unusual size
Surrounding area
Pocket 2
FPocket #36
0.676
Unusual size
Likely same site as P2Rank 2
7.7 Å
9 shared residues
75% of smaller site
Show in viewer
Surrounding area
Pocket 3
FPocket #2
0.389
Surrounding area
Pocket 4
FPocket #33
0.308
Unusual size
Surrounding area
All structural evidence
Structural evidence
0 + 2Experimental PDB entries plus predicted AlphaFold DB or ColabFold models. Click Switch to display a different loaded structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold DB
AF_A0A0H3GKG9
|
AlphaFold DB | — | — | full sequence | — | Viewing |
|
ColabFold
VK055_2159
|
ColabFold | — | — | full sequence | — | Loaded |
Ligand evidence
Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.
100 records
Chemistry signal
Bioactivity evidence is available for this target.
Direct evidence
0
same-protein records
Transferred evidence
100
records from similar proteins
Structural ligands
0
0 loaded crystals
Measured bioactivity
100
direct and transferred ChEMBL records
Proposed compounds
0
similarity-based ZINC candidates
Best available ligand signal
CHEMBL3648555
ChEMBL via homolog
pchembl 9.10 (~0.8 nM)
544.6 Da · LogP 4.06 · TPSA 131.3
Open detail
ChEMBL
Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in Target, use Open crystal to inspect it in the structure viewer.
No PDB structure with a co-crystallized ligand found for this exact protein.
Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.
No PDB ligands found through similar proteins.
Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL bioactivity data found for this exact protein.
Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| CHEMBL3648555 ChEMBL | O00400 | 9.10 ~0.8 nM | 544.6 Da LogP 4.06 TPSA 131.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648538 ChEMBL | O00400 | 9.05 ~0.9 nM | 558.6 Da LogP 4.63 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(…
|
| CHEMBL3648544 ChEMBL | O00400 | 9.00 ~1.0 nM | 540.6 Da LogP 4.31 TPSA 131.3 | 1 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=…
|
| CHEMBL3648553 ChEMBL | O00400 | 9.00 ~1.0 nM | 570.7 Da LogP 3.94 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3639474 ChEMBL | O00400 | 8.92 ~1.2 nM | 630.7 Da LogP 4.97 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648551 ChEMBL | O00400 | 8.92 ~1.2 nM | 540.6 Da LogP 4.57 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=…
|
| CHEMBL3648629 ChEMBL | O00400 | 8.92 ~1.2 nM | 568.7 Da LogP 4.95 TPSA 131.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648511 ChEMBL | O00400 | 8.89 ~1.3 nM | 512.6 Da LogP 4.80 TPSA 111.1 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648532 ChEMBL | O00400 | 8.89 ~1.3 nM | 530.6 Da LogP 3.94 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648537 ChEMBL | O00400 | 8.89 ~1.3 nM | 554.7 Da LogP 4.96 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=…
|
| CHEMBL3648539 ChEMBL | O00400 | 8.89 ~1.3 nM | 572.6 Da LogP 5.02 TPSA 120.3 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648541 ChEMBL | O00400 | 8.89 ~1.3 nM | 554.7 Da LogP 4.96 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=…
|
| CHEMBL3648554 ChEMBL | O00400 | 8.89 ~1.3 nM | 544.6 Da LogP 4.06 TPSA 131.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648522 ChEMBL | O00400 | 8.85 ~1.4 nM | 510.6 Da LogP 4.55 TPSA 111.1 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648540 ChEMBL | O00400 | 8.85 ~1.4 nM | 568.7 Da LogP 5.27 TPSA 120.3 | 2 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=…
|
| CHEMBL3648543 ChEMBL | O00400 | 8.85 ~1.4 nM | 540.6 Da LogP 4.49 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648546 ChEMBL | O00400 | 8.85 ~1.4 nM | 566.7 Da LogP 5.11 TPSA 120.3 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648556 ChEMBL | O00400 | 8.85 ~1.4 nM | 582.7 Da LogP 4.74 TPSA 137.4 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648557 ChEMBL | O00400 | 8.85 ~1.4 nM | 592.7 Da LogP 5.03 TPSA 150.0 | 3 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648616 ChEMBL | O00400 | 8.85 ~1.4 nM | 634.7 Da LogP 4.62 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648619 ChEMBL | O00400 | 8.85 ~1.4 nM | 620.7 Da LogP 4.57 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648523 ChEMBL | O00400 | 8.82 ~1.5 nM | 542.6 Da LogP 4.43 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648526 ChEMBL | O00400 | 8.82 ~1.5 nM | 496.6 Da LogP 4.48 TPSA 111.1 | ✓ Ro5 | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648528 ChEMBL | O00400 | 8.82 ~1.5 nM | 544.6 Da LogP 4.24 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648530 ChEMBL | O00400 | 8.82 ~1.5 nM | 560.7 Da LogP 4.96 TPSA 111.1 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648581 ChEMBL | O00400 | 8.82 ~1.5 nM | 624.7 Da LogP 5.11 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648547 ChEMBL | O00400 | 8.80 ~1.6 nM | 566.7 Da LogP 5.11 TPSA 120.3 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648552 ChEMBL | O00400 | 8.80 ~1.6 nM | 570.7 Da LogP 3.94 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648558 ChEMBL | O00400 | 8.80 ~1.6 nM | 610.7 Da LogP 5.33 TPSA 129.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648569 ChEMBL | O00400 | 8.80 ~1.6 nM | 552.6 Da LogP 4.48 TPSA 131.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648578 ChEMBL | O00400 | 8.80 ~1.6 nM | 611.7 Da LogP 4.97 TPSA 141.9 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648615 ChEMBL | O00400 | 8.80 ~1.6 nM | 610.7 Da LogP 4.86 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648638 ChEMBL | O00400 | 8.80 ~1.6 nM | 597.7 Da LogP 5.32 TPSA 127.7 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3651826 ChEMBL | O00400 | 8.80 ~1.6 nM | 626.8 Da LogP 5.33 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)c(C)c2)c…
|
| CHEMBL3892965 ChEMBL | O00400 | 8.80 ~1.6 nM | 601.7 Da LogP 5.07 TPSA 127.7 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3937585 ChEMBL | O00400 | 8.80 ~1.6 nM | 583.7 Da LogP 4.93 TPSA 127.7 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648513 ChEMBL | O00400 | 8.77 ~1.7 nM | 550.6 Da LogP 4.94 TPSA 111.1 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648521 ChEMBL | O00400 | 8.77 ~1.7 nM | 498.6 Da LogP 4.72 TPSA 111.1 | ✓ Ro5 | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648542 ChEMBL | O00400 | 8.77 ~1.7 nM | 554.7 Da LogP 4.96 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=…
|
| CHEMBL3648559 ChEMBL | O00400 | 8.77 ~1.7 nM | 592.7 Da LogP 5.03 TPSA 150.0 | 3 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648591 ChEMBL | O00400 | 8.77 ~1.7 nM | 618.7 Da LogP 5.71 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648606 ChEMBL | O00400 | 8.77 ~1.7 nM | 612.7 Da LogP 5.02 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648620 ChEMBL | O00400 | 8.77 ~1.7 nM | 644.7 Da LogP 5.63 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648621 ChEMBL | O00400 | 8.77 ~1.7 nM | 630.7 Da LogP 5.16 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3930046 ChEMBL | O00400 | 8.77 ~1.7 nM | 615.7 Da LogP 5.46 TPSA 127.7 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648516 ChEMBL | O00400 | 8.74 ~1.8 nM | 526.6 Da LogP 4.06 TPSA 128.2 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648525 ChEMBL | O00400 | 8.74 ~1.8 nM | 524.6 Da LogP 5.26 TPSA 111.1 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648597 ChEMBL | O00400 | 8.74 ~1.8 nM | 593.6 Da LogP 5.00 TPSA 146.3 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648608 ChEMBL | O00400 | 8.74 ~1.8 nM | 598.7 Da LogP 4.71 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648609 ChEMBL | O00400 | 8.74 ~1.8 nM | 612.7 Da LogP 5.10 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648611 ChEMBL | O00400 | 8.74 ~1.8 nM | 598.7 Da LogP 4.72 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3651823 ChEMBL | O00400 | 8.74 ~1.8 nM | 614.7 Da LogP 5.08 TPSA 136.1 | 2 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2F)c(=O)n…
|
| CHEMBL3905533 ChEMBL | O00400 | 8.74 ~1.8 nM | 597.7 Da LogP 5.32 TPSA 127.7 | 2 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=…
|
| CHEMBL3648527 ChEMBL | O00400 | 8.72 ~1.9 nM | 595.6 Da LogP 4.71 TPSA 132.7 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648534 ChEMBL | O00400 | 8.72 ~1.9 nM | 530.6 Da LogP 3.94 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648535 ChEMBL | O00400 | 8.72 ~1.9 nM | 512.6 Da LogP 3.80 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O…
|
| CHEMBL3648545 ChEMBL | O00400 | 8.72 ~1.9 nM | 554.7 Da LogP 4.96 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=…
|
| CHEMBL3648549 ChEMBL | O00400 | 8.72 ~1.9 nM | 566.7 Da LogP 5.13 TPSA 120.3 | 2 viol. | ✓ Clean |
C=CCOC1CCC(n2c(=O)c(Cc3ccc(-c4ccccc4-c4nc(=O)o[…
|
| CHEMBL3648560 ChEMBL | O00400 | 8.72 ~1.9 nM | 596.7 Da LogP 5.08 TPSA 129.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648567 ChEMBL | O00400 | 8.72 ~1.9 nM | 553.6 Da LogP 4.56 TPSA 132.7 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648576 ChEMBL | O00400 | 8.72 ~1.9 nM | 565.6 Da LogP 4.47 TPSA 144.1 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648577 ChEMBL | O00400 | 8.72 ~1.9 nM | 582.7 Da LogP 4.53 TPSA 137.4 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648583 ChEMBL | O00400 | 8.72 ~1.9 nM | 616.7 Da LogP 4.85 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648596 ChEMBL | O00400 | 8.72 ~1.9 nM | 660.8 Da LogP 6.23 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648603 ChEMBL | O00400 | 8.72 ~1.9 nM | 582.7 Da LogP 4.61 TPSA 129.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648613 ChEMBL | O00400 | 8.72 ~1.9 nM | 652.7 Da LogP 5.26 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648614 ChEMBL | O00400 | 8.72 ~1.9 nM | 616.7 Da LogP 4.67 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648618 ChEMBL | O00400 | 8.72 ~1.9 nM | 626.8 Da LogP 5.49 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3918072 ChEMBL | O00400 | 8.72 ~1.9 nM | 637.7 Da LogP 5.47 TPSA 127.7 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3954654 ChEMBL | O00400 | 8.72 ~1.9 nM | 595.7 Da LogP 5.07 TPSA 127.7 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648517 ChEMBL | O00400 | 8.70 ~2.0 nM | 482.5 Da LogP 3.85 TPSA 111.1 | ✓ Ro5 | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648531 ChEMBL | O00400 | 8.70 ~2.0 nM | 555.6 Da LogP 4.73 TPSA 132.7 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648533 ChEMBL | O00400 | 8.70 ~2.0 nM | 530.6 Da LogP 3.85 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648570 ChEMBL | O00400 | 8.70 ~2.0 nM | 581.7 Da LogP 5.34 TPSA 132.7 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648572 ChEMBL | O00400 | 8.70 ~2.0 nM | 640.8 Da LogP 5.80 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648610 ChEMBL | O00400 | 8.70 ~2.0 nM | 638.6 Da LogP 4.87 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648612 ChEMBL | O00400 | 8.70 ~2.0 nM | 596.7 Da LogP 4.49 TPSA 140.5 | 1 viol. | ✓ Clean |
C=CC(O)CO[C@H]1CC[C@H](n2c(=O)c(Cc3ccc(-c4ccccc…
|
| CHEMBL3648633 ChEMBL | O00400 | 8.70 ~2.0 nM | 612.7 Da LogP 5.11 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648639 ChEMBL | O00400 | 8.70 ~2.0 nM | 583.7 Da LogP 4.93 TPSA 127.7 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3953226 ChEMBL | O00400 | 8.70 ~2.0 nM | 615.7 Da LogP 5.46 TPSA 127.7 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3639473 ChEMBL | O00400 | 8.68 ~2.1 nM | 580.6 Da LogP 5.36 TPSA 120.3 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648515 ChEMBL | O00400 | 8.68 ~2.1 nM | 498.6 Da LogP 4.49 TPSA 111.1 | ✓ Ro5 | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648524 ChEMBL | O00400 | 8.68 ~2.1 nM | 522.6 Da LogP 5.03 TPSA 111.1 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648566 ChEMBL | O00400 | 8.68 ~2.1 nM | 584.7 Da LogP 4.33 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648582 ChEMBL | O00400 | 8.68 ~2.1 nM | 612.7 Da LogP 5.11 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=…
|
| CHEMBL3648605 ChEMBL | O00400 | 8.68 ~2.1 nM | 598.7 Da LogP 3.66 TPSA 149.8 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648617 ChEMBL | O00400 | 8.68 ~2.1 nM | 612.7 Da LogP 5.11 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648627 ChEMBL | O00400 | 8.68 ~2.1 nM | 642.7 Da LogP 5.39 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648636 ChEMBL | O00400 | 8.68 ~2.1 nM | 602.7 Da LogP 4.38 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3651825 ChEMBL | O00400 | 8.68 ~2.1 nM | 584.7 Da LogP 4.59 TPSA 129.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O…
|
| CHEMBL3942491 ChEMBL | O00400 | 8.68 ~2.1 nM | 611.7 Da LogP 5.71 TPSA 127.7 | 2 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=…
|
| CHEMBL3648529 ChEMBL | O00400 | 8.66 ~2.2 nM | 512.6 Da LogP 3.80 TPSA 120.3 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648575 ChEMBL | O00400 | 8.66 ~2.2 nM | 626.8 Da LogP 5.49 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=…
|
| CHEMBL3648585 ChEMBL | O00400 | 8.66 ~2.2 nM | 630.7 Da LogP 5.24 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648588 ChEMBL | O00400 | 8.66 ~2.2 nM | 511.6 Da LogP 4.40 TPSA 107.4 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648592 ChEMBL | O00400 | 8.66 ~2.2 nM | 618.7 Da LogP 5.71 TPSA 140.5 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648594 ChEMBL | O00400 | 8.66 ~2.2 nM | 644.7 Da LogP 6.21 TPSA 137.4 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648598 ChEMBL | O00400 | 8.66 ~2.2 nM | 593.6 Da LogP 5.00 TPSA 146.3 | 2 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
| CHEMBL3648625 ChEMBL | O00400 | 8.66 ~2.2 nM | 588.6 Da LogP 4.07 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=…
|
| CHEMBL3648630 ChEMBL | O00400 | 8.66 ~2.2 nM | 584.7 Da LogP 4.33 TPSA 140.5 | 1 viol. | ✓ Clean |
CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O…
|
Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).
No virtual-screening candidates for this protein.
PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.
Cross-references
External database identifiers for this protein, its structures, ligands, and metabolic reactions.
Sequence
Chemistry
ChEMBL
CHEMBL3648555
ChEMBL
CHEMBL3648538
ChEMBL
CHEMBL3648544
ChEMBL
CHEMBL3648553
ChEMBL
CHEMBL3639474
ChEMBL
CHEMBL3648551
ChEMBL
CHEMBL3648629
ChEMBL
CHEMBL3648511
ChEMBL
CHEMBL3648532
ChEMBL
CHEMBL3648537
ChEMBL
CHEMBL3648539
ChEMBL
CHEMBL3648541
ChEMBL
CHEMBL3648554
ChEMBL
CHEMBL3648522
ChEMBL
CHEMBL3648540
ChEMBL
CHEMBL3648543
ChEMBL
CHEMBL3648546
ChEMBL
CHEMBL3648556
ChEMBL
CHEMBL3648557
ChEMBL
CHEMBL3648616
ChEMBL
CHEMBL3648619
ChEMBL
CHEMBL3648523
ChEMBL
CHEMBL3648526
ChEMBL
CHEMBL3648528
ChEMBL
CHEMBL3648530
ChEMBL
CHEMBL3648581
ChEMBL
CHEMBL3648547
ChEMBL
CHEMBL3648552
ChEMBL
CHEMBL3648558
ChEMBL
CHEMBL3648569
ChEMBL
CHEMBL3648578
ChEMBL
CHEMBL3648615
ChEMBL
CHEMBL3648638
ChEMBL
CHEMBL3651826
ChEMBL
CHEMBL3892965
ChEMBL
CHEMBL3937585
ChEMBL
CHEMBL3648513
ChEMBL
CHEMBL3648521
ChEMBL
CHEMBL3648542
ChEMBL
CHEMBL3648559
ChEMBL
CHEMBL3648591
ChEMBL
CHEMBL3648606
ChEMBL
CHEMBL3648620
ChEMBL
CHEMBL3648621
ChEMBL
CHEMBL3930046
ChEMBL
CHEMBL3648516
ChEMBL
CHEMBL3648525
ChEMBL
CHEMBL3648597
ChEMBL
CHEMBL3648608
ChEMBL
CHEMBL3648609
ChEMBL
CHEMBL3648611
ChEMBL
CHEMBL3651823
ChEMBL
CHEMBL3905533
ChEMBL
CHEMBL3648527
ChEMBL
CHEMBL3648534
ChEMBL
CHEMBL3648535
ChEMBL
CHEMBL3648545
ChEMBL
CHEMBL3648549
ChEMBL
CHEMBL3648560
ChEMBL
CHEMBL3648567
ChEMBL
CHEMBL3648576
ChEMBL
CHEMBL3648577
ChEMBL
CHEMBL3648583
ChEMBL
CHEMBL3648596
ChEMBL
CHEMBL3648603
ChEMBL
CHEMBL3648613
ChEMBL
CHEMBL3648614
ChEMBL
CHEMBL3648618
ChEMBL
CHEMBL3918072
ChEMBL
CHEMBL3954654
ChEMBL
CHEMBL3648517
ChEMBL
CHEMBL3648531
ChEMBL
CHEMBL3648533
ChEMBL
CHEMBL3648570
ChEMBL
CHEMBL3648572
ChEMBL
CHEMBL3648610
ChEMBL
CHEMBL3648612
ChEMBL
CHEMBL3648633
ChEMBL
CHEMBL3648639
ChEMBL
CHEMBL3953226
ChEMBL
CHEMBL3639473
ChEMBL
CHEMBL3648515
ChEMBL
CHEMBL3648524
ChEMBL
CHEMBL3648566
ChEMBL
CHEMBL3648582
ChEMBL
CHEMBL3648605
ChEMBL
CHEMBL3648617
ChEMBL
CHEMBL3648627
ChEMBL
CHEMBL3648636
ChEMBL
CHEMBL3651825
ChEMBL
CHEMBL3942491
ChEMBL
CHEMBL3648529
ChEMBL
CHEMBL3648575
ChEMBL
CHEMBL3648585
ChEMBL
CHEMBL3648588
ChEMBL
CHEMBL3648592
ChEMBL
CHEMBL3648594
ChEMBL
CHEMBL3648598
ChEMBL
CHEMBL3648625
ChEMBL
CHEMBL3648630