Length
261
Pocket druggability (P2Rank · AlphaFold DB model)
0.061
Direct ligand evidence
0
126 total records
Functional annotation
0 EC
1 GO
Target summary
Target candidate with partial support; inspect missing evidence before prioritizing.
Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.
Main supporting evidence
Risks to review
Microbiome similarity
14 of 4744 screened genomes (0.3%) have a significant similarity hit.
Mixed conservation
Core/accessory calls are not fully concordant.
Weak predicted binding pocket
FPocket selected-pocket score 0.11.
Weak second pocket-predictor signal
P2Rank predicted binding-site probability 0.06.
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
- No hit
- Gut microbiome similarity
- 0.3% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.
Essentiality
- Essential (DEG)
- N
- DEG identity (%)
- 0.0 Higher values support similarity to known essential genes.
Structure confidence
- ColabFold pLDDT
- 92.13 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)
0.061
Druggability (FPocket)
0.112
ColabFold model
Core conservation
Accessory gene
Gut microbiome
14 / 4744
genomes with a hit
Sequence
Primary amino-acid sequence viewer.
MTSSLSRHPAFLSLQGGINFRDLGGQLAADGRRVRSGKLLRSGALNRLTAEDLNHLDTLPLSRVLDYRDPGEVARTPDKLSPLTHYLNAPANPPVSEVNAKVTELNAATLNALNGEQFMLQLYRQLPFNNPAYRQLAAWLTTPFEGALLQHCAVGKDRTGVGCALTLFAVGCDSETVMEEYLLTHGMLTQVEAWMLELLGNDLTAQGRQSLADILTVKESYLAAALSAIHQRYGTVDAWLAAEYQLTAPVRAALQARLLEE
Functional annotations
Enzyme classification and Gene Ontology terms linked to this protein.
1 GO
Subcellular localization
- Localization
- Unknown
Gene Ontology (GO)
1- GO:0004721 Catalysis of the reaction: a phosphoprotein + H2O = a protein + phosphate. Together with protein kinases, these enzymes control the state of phosphorylation of cellular proteins and thereby provide an important mechanism for regulating cellular activity.
Sequence domains and features
Domain and signature matches imported from InterPro and related databases.
6 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 13 | 259 | Gene3D | G3DSA:3.90.190.10 | Protein tyrosine phosphatase superfamily |
| 13 | 259 | InterPro | IPR029021 | Protein-tyrosine phosphatase-like |
| 12 | 259 | SUPERFAMILY | SSF52799 | (Phosphotyrosine protein) phosphatases II |
| 12 | 259 | InterPro | IPR029021 | Protein-tyrosine phosphatase-like |
| 13 | 260 | Pfam | PF13350 | Tyrosine phosphatase family |
| 13 | 260 | InterPro | IPR026893 | Tyrosine/serine-protein phosphatase IphP-type |
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
0.061
Surrounding area
Pocket 2
P2Rank #2
0.04
Surrounding area
Pocket 3
P2Rank #3
0.03
Surrounding area
Pocket 4
P2Rank #4
0.006
Surrounding area
Binding pockets · P2Rank
Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2
Pocket 1
P2Rank #1
0.093
Likely same site as FPocket 3
1.8 Å
13 shared residues
100% of smaller site
Show in viewer
Surrounding area
Pocket 2
P2Rank #2
0.02
Surrounding area
Pocket 3
P2Rank #3
0.004
Surrounding area
Pocket 4
P2Rank #4
0.002
Surrounding area
Binding pockets · FPocket
Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4
Pocket 1
FPocket #3
0.499
Likely same site as P2Rank 1
1.8 Å
13 shared residues
100% of smaller site
Show in viewer
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_A0A0C4MHJ2
|
AlphaFold DB | — | — | full sequence | — | Viewing |
|
ColabFold
VK055_1677
|
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.
126 records
Chemistry signal
Bioactivity evidence is available for this target.
Direct evidence
0
same-protein records
Transferred evidence
76
records from similar proteins
Structural ligands
0
0 loaded crystals
Measured bioactivity
76
direct and transferred ChEMBL records
Proposed compounds
50
similarity-based ZINC candidates
Best available ligand signal
CHEMBL4637373
ChEMBL via homolog
pchembl 8.39 (~4.1 nM)
412.2 Da · LogP 3.89 · TPSA 66.4
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 |
|---|---|---|---|---|---|---|
| CHEMBL4637373 ChEMBL | I6WXK4 | 8.39 ~4.1 nM | 412.2 Da LogP 3.89 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccc(C(F)(F)F)cc2Br)cc1
|
| CHEMBL4647367 ChEMBL | I6WXK4 | 8.19 ~6.5 nM | 367.7 Da LogP 3.78 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccc(C(F)(F)F)cc2Cl)cc1
|
| CHEMBL4638011 ChEMBL | I6WXK4 | 7.92 ~12.0 nM | 351.3 Da LogP 3.27 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccc(C(F)(F)F)cc2F)cc1
|
| CHEMBL4649112 ChEMBL | I6WXK4 | 7.85 ~14.1 nM | 401.3 Da LogP 4.15 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccc(C(F)(F)F)cc2C(F)(F)F…
|
| CHEMBL4637459 ChEMBL | I6WXK4 | 7.82 ~15.1 nM | 333.3 Da LogP 3.13 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1
|
| CHEMBL3769851 ChEMBL | P96830 | 7.75 ~17.8 nM | 337.4 Da LogP 2.80 TPSA 74.7 | ✓ Ro5 | ✓ Clean |
O=C(C(c1ccccc1)S(=O)(=O)O)N1CCCC2CCCCC21
|
| CHEMBL4633958 ChEMBL | A0A045ISB3 | 7.64 ~22.9 nM | 309.3 Da LogP 1.81 TPSA 103.7 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1
|
| CHEMBL4641106 ChEMBL | I6WXK4 | 7.64 ~22.9 nM | 358.3 Da LogP 3.00 TPSA 90.2 | ✓ Ro5 | ✓ Clean |
N#Cc1cc(C(F)(F)F)ccc1C#Cc1ccc(NC(=O)C(=O)O)cc1
|
| CHEMBL5848788 ChEMBL | I6WXK4 | 7.64 ~22.9 nM | 323.3 Da LogP 1.90 TPSA 92.7 | ✓ Ro5 | ✓ Clean |
COC(=O)c1ccc(C#Cc2ccc(NC(=O)C(=O)O)cc2)cc1
|
| CHEMBL4647032 ChEMBL | I6WXK4 | 7.60 ~25.1 nM | 339.3 Da LogP 1.60 TPSA 112.9 | ✓ Ro5 | ✓ Clean |
COC(=O)c1cc(C#Cc2ccc(NC(=O)C(=O)O)cc2)ccc1O
|
| CHEMBL4645770 ChEMBL | I6WXK4 | 7.58 ~26.3 nM | 321.4 Da LogP 3.41 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CC(C)(C)c1ccc(C#Cc2ccc(NC(=O)C(=O)O)cc2)cc1
|
| CHEMBL4649838 ChEMBL | I6WXK4 | 7.57 ~26.9 nM | 349.3 Da LogP 3.01 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccc(OC(F)(F)F)cc2)cc1
|
| CHEMBL4632655 ChEMBL | A0A045ISB3 | 7.52 ~30.2 nM | 382.4 Da LogP 1.67 TPSA 116.2 | ✓ Ro5 | ✓ Clean |
COC(=O)c1cc(C#Cc2ccc(NC(=O)C(=O)O)cc2)c(N(C)C)c…
|
| CHEMBL4636548 ChEMBL | A0A045ISB3 | 7.50 ~31.6 nM | 339.3 Da LogP 1.60 TPSA 112.9 | ✓ Ro5 | ✓ Clean |
COC(=O)c1ccc(C#Cc2ccc(NC(=O)C(=O)O)cc2)cc1O
|
| CHEMBL4644874 ChEMBL | I6WXK4 | 7.48 ~33.1 nM | 360.2 Da LogP 2.58 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccc(O)c(Br)c2)cc1
|
| CHEMBL4646506 ChEMBL | I6WXK4 | 7.46 ~34.7 nM | 380.4 Da LogP 3.46 TPSA 104.7 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccc(NC(=O)C(=O)O)cc2)…
|
| CHEMBL2316902 ChEMBL | P96830 | 7.42 ~38.0 nM | 422.4 Da LogP 5.92 TPSA 70.7 | 1 viol. | ✓ Clean |
O=C(O)c1cc2c(C#Cc3cccc(C(F)(F)F)c3)c(-c3ccccc3)…
|
| CHEMBL4635765 ChEMBL | A0A045ISB3 | 7.42 ~38.0 nM | 371.4 Da LogP 3.69 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccc(OCc3ccccc3)cc2)cc1
|
| CHEMBL4647377 ChEMBL | I6WXK4 | 7.28 ~52.5 nM | 333.3 Da LogP 3.13 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2cccc(C(F)(F)F)c2)cc1
|
| CHEMBL4640123 ChEMBL | I6WXK4 | 7.24 ~57.5 nM | 382.4 Da LogP 1.67 TPSA 116.2 | ✓ Ro5 | ✓ Clean |
COC(=O)c1cc(C#Cc2cccc(NC(=O)C(=O)O)c2)c(N(C)C)c…
|
| CHEMBL4649291 ChEMBL | I6WXK4 | 7.22 ~60.3 nM | 401.3 Da LogP 4.15 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)…
|
| CHEMBL4642274 ChEMBL | I6WXK4 | 7.06 ~87.1 nM | 344.3 Da LogP 0.76 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
NS(=O)(=O)c1ccc(C#Cc2ccc(NC(=O)C(=O)O)cc2)cc1
|
| CHEMBL4636357 ChEMBL | A0A045ISB3 | 7.05 ~89.1 nM | 368.3 Da LogP 1.58 TPSA 127.2 | ✓ Ro5 | ✓ Clean |
CN(C)c1cc(O)c(C(=O)O)cc1C#Cc1ccc(NC(=O)C(=O)O)c…
|
| CHEMBL4635176 ChEMBL | A0A045ISB3 | 7.03 ~93.3 nM | 315.3 Da LogP 3.26 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccc3ccccc3c2)cc1
|
| CHEMBL4649071 ChEMBL | I6WXK4 | 6.97 ~107.2 nM | 281.3 Da LogP 1.82 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccc(O)cc2)cc1
|
| CHEMBL4649843 ChEMBL | I6WXK4 | 6.89 ~128.8 nM | 290.3 Da LogP 1.98 TPSA 90.2 | ✓ Ro5 | ✓ Clean |
N#Cc1ccc(C#Cc2ccc(NC(=O)C(=O)O)cc2)cc1
|
| CHEMBL1765363 ChEMBL | P96830 | 6.82 ~151.4 nM | 639.7 Da LogP 6.24 TPSA 149.4 | 2 viol. | ✓ Clean |
Cc1cc(F)ccc1S(=O)(=O)NCCCCCCn1cc(COc2ccc(-c3cc(…
|
| CHEMBL3235985 ChEMBL | A0A045ISB3 | 6.80 ~158.5 nM | 398.4 Da LogP 2.94 TPSA 148.4 | ✓ Ro5 | Alert |
CC(=O)c1cc(C)c(O)c(Cc2c(O)cc(-c3ccc(O)c(O)c3)oc…
|
| CHEMBL4632818 ChEMBL | A0A045ISB3 | 6.80 ~158.5 nM | 368.3 Da LogP 1.58 TPSA 127.2 | ✓ Ro5 | ✓ Clean |
CN(C)c1cc(O)c(C(=O)O)cc1C#Cc1cccc(NC(=O)C(=O)O)…
|
| CHEMBL4213459 ChEMBL | A0A045ISB3 | 6.77 ~169.8 nM | 671.8 Da LogP 9.15 TPSA 132.4 | 2 viol. | ✓ Clean |
O=C(CCCCCCn1cc(COc2ccc(-c3cc(C(=O)O)no3)c(C3CCC…
|
| CHEMBL4647989 ChEMBL | I6WXK4 | 6.71 ~195.0 nM | 337.3 Da LogP 3.51 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1
|
| CHEMBL4290098 ChEMBL | A0A045ISB3 | 6.70 ~199.5 nM | 760.8 Da LogP 8.84 TPSA 209.1 | 4 viol. | ✓ Clean |
CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc…
|
| CHEMBL1765362 ChEMBL | P96830 | 6.66 ~218.8 nM | 433.4 Da LogP 6.91 TPSA 63.3 | 1 viol. | ✓ Clean |
O=C(O)c1cc(-c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2C2C…
|
| CHEMBL1765366 ChEMBL | P96830 | 6.60 ~251.2 nM | 517.4 Da LogP 3.17 TPSA 117.9 | 1 viol. | ✓ Clean |
O=C1CS(=O)(=O)[C@]2(C(=O)N(Cc3cccc(F)c3)c3ccc([…
|
| CHEMBL4635310 ChEMBL | A0A045ISB3 | 6.59 ~257.0 nM | 265.3 Da LogP 2.11 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(C#Cc2ccccc2)cc1
|
| CHEMBL5625121 ChEMBL | I6WXK4 | 6.48 ~331.1 nM | 480.4 Da LogP 6.51 TPSA 57.6 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl…
|
| CHEMBL5624568 ChEMBL | I6WXK4 | 6.46 ~346.7 nM | 505.6 Da LogP 6.61 TPSA 57.6 | 2 viol. | Alert |
O=C(O)[C@H](C1CCCCC1)N1C(=O)/C(=C/c2ccc(-c3cccc…
|
| CHEMBL368885 ChEMBL | P96830 | 6.44 ~363.1 nM | 449.6 Da LogP 5.03 TPSA 76.4 | 1 viol. | ✓ Clean |
O=C(c1ccc(-c2ccccc2)cc1)n1c2c(c3cc(S(=O)(=O)O)c…
|
| CHEMBL5631059 ChEMBL | I6WXK4 | 6.42 ~380.2 nM | 446.0 Da LogP 5.85 TPSA 57.6 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl…
|
| CHEMBL4279417 ChEMBL | A0A045ISB3 | 6.41 ~389.0 nM | 692.7 Da LogP 7.33 TPSA 209.1 | 4 viol. | ✓ Clean |
CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@@H]3C=C(C)C[C…
|
| CHEMBL4638054 ChEMBL | A0A045ISB3 | 6.40 ~398.1 nM | 297.3 Da LogP 3.19 TPSA 97.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1
|
| CHEMBL5625142 ChEMBL | I6WXK4 | 6.38 ~416.9 nM | 514.0 Da LogP 6.87 TPSA 57.6 | 2 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(…
|
| CHEMBL178884 ChEMBL | P96830 | 6.37 ~426.6 nM | 481.6 Da LogP 6.14 TPSA 76.4 | 1 viol. | ✓ Clean |
Cc1c(Cc2ccccc2)c2cc(S(=O)(=O)O)ccc2n1C(=O)c1ccc…
|
| CHEMBL5630431 ChEMBL | I6WXK4 | 6.37 ~426.6 nM | 452.0 Da LogP 5.91 TPSA 57.6 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)…
|
| 7XY ChEMBL | A0A045ISB3 | 6.36 ~436.5 nM | 583.1 Da LogP 5.52 TPSA 103.8 | 2 viol. | ✓ Clean |
c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)…
|
| CHEMBL1164991 ChEMBL | P96830 | 6.36 ~436.5 nM | 246.3 Da LogP -1.48 TPSA 120.3 | ✓ Ro5 | Alert |
NC1=S2C=CC(S(N)(=O)=O)=C2C(=O)C1=O
|
| CHEMBL5624636 ChEMBL | I6WXK4 | 6.36 ~436.5 nM | 452.0 Da LogP 5.91 TPSA 57.6 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl…
|
| CHEMBL5631051 ChEMBL | I6WXK4 | 6.32 ~478.6 nM | 497.5 Da LogP 6.36 TPSA 57.6 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(F)c…
|
| CHEMBL5630980 ChEMBL | I6WXK4 | 6.31 ~489.8 nM | 523.6 Da LogP 6.75 TPSA 57.6 | 2 viol. | Alert |
O=C(O)[C@H](C1CCCCC1)N1C(=O)/C(=C/c2ccc(-c3ccc(…
|
| CHEMBL5630876 ChEMBL | I6WXK4 | 6.28 ~524.8 nM | 447.0 Da LogP 5.25 TPSA 70.5 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl…
|
| CHEMBL5625012 ChEMBL | I6WXK4 | 6.26 ~549.5 nM | 441.6 Da LogP 5.21 TPSA 66.8 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(OC)…
|
| CHEMBL4649025 ChEMBL | I6WXK4 | 6.25 ~562.3 nM | 265.3 Da LogP 2.11 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1cccc(C#Cc2ccccc2)c1
|
| CHEMBL5630372 ChEMBL | I6WXK4 | 6.23 ~588.8 nM | 529.6 Da LogP 7.37 TPSA 57.6 | 2 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(…
|
| CHEMBL5624831 ChEMBL | I6WXK4 | 6.22 ~602.6 nM | 446.0 Da LogP 5.85 TPSA 57.6 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)…
|
| CHEMBL5624750 ChEMBL | I6WXK4 | 6.21 ~616.6 nM | 411.5 Da LogP 5.20 TPSA 57.6 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3)…
|
| CHEMBL5624932 ChEMBL | I6WXK4 | 6.19 ~645.7 nM | 479.5 Da LogP 6.22 TPSA 57.6 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(…
|
| CHEMBL4642395 ChEMBL | I6WXK4 | 6.18 ~660.7 nM | 241.2 Da LogP 2.38 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(-c2ccccc2)cc1
|
| CHEMBL4632681 ChEMBL | A0A045ISB3 | 6.17 ~676.1 nM | 335.3 Da LogP 3.90 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(/C=C\c2ccc(C(F)(F)F)cc2)cc1
|
| CHEMBL5625090 ChEMBL | I6WXK4 | 6.17 ~676.1 nM | 547.6 Da LogP 7.51 TPSA 57.6 | 2 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(F)c…
|
| CHEMBL5630201 ChEMBL | I6WXK4 | 6.17 ~676.1 nM | 496.1 Da LogP 7.00 TPSA 57.6 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl…
|
| CHEMBL5630421 ChEMBL | I6WXK4 | 6.12 ~758.6 nM | 441.6 Da LogP 5.21 TPSA 66.8 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(OC…
|
| CHEMBL4215472 ChEMBL | P96830 | 6.11 ~776.2 nM | 436.8 Da LogP 5.64 TPSA 126.7 | 1 viol. | ✓ Clean |
O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2cc(Cl)c(O)c(…
|
| CHEMBL4641525 ChEMBL | I6WXK4 | 6.11 ~776.2 nM | 267.3 Da LogP 2.88 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(/C=C\c2ccccc2)cc1
|
| CHEMBL3942054 ChEMBL | A0A045ISB3 | 6.10 ~794.3 nM | 663.4 Da LogP 6.62 TPSA 118.4 | 2 viol. | ✓ Clean |
O=S(=O)(Nc1ccc(-c2nc3cc(NS(=O)(=O)c4cccc(Br)c4)…
|
| CHEMBL5630798 ChEMBL | I6WXK4 | 6.10 ~794.3 nM | 447.0 Da LogP 5.25 TPSA 70.5 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccncc3C…
|
| CHEMBL5631198 ChEMBL | I6WXK4 | 6.07 ~851.1 nM | 479.5 Da LogP 6.22 TPSA 57.6 | 1 viol. | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C(F…
|
| CHEMBL4211060 ChEMBL | A0A045ISB3 | 6.05 ~891.3 nM | 391.8 Da LogP 5.73 TPSA 83.6 | 1 viol. | ✓ Clean |
O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2ccc(O)c(Cl)c…
|
| CHEMBL5630776 ChEMBL | I6WXK4 | 6.04 ~912.0 nM | 505.6 Da LogP 6.61 TPSA 57.6 | 2 viol. | Alert |
O=C(O)[C@H](C1CCCCC1)N1C(=O)/C(=C/c2ccc(-c3cccc…
|
| CHEMBL5630964 ChEMBL | I6WXK4 | 6.04 ~912.0 nM | 531.6 Da LogP 6.41 TPSA 57.6 | 2 viol. | Alert |
O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc…
|
| CHEMBL4217308 ChEMBL | P96830 | 6.00 ~1.0 µM | 426.3 Da LogP 6.39 TPSA 83.6 | 1 viol. | ✓ Clean |
O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2cc(Cl)c(O)c(…
|
| CHEMBL5220804 ChEMBL | P96830 | 6.00 ~1.0 µM | 533.8 Da LogP 5.51 TPSA 87.7 | 2 viol. | Alert |
O=C1NC(=S)NC(=O)C1=Cc1cc(-c2cc(Cl)c(O)c(Cl)c2)c…
|
| CHEMBL5624504 ChEMBL | I6WXK4 | 6.00 ~1.0 µM | 472.0 Da LogP 6.24 TPSA 57.6 | 1 viol. | Alert |
O=C(O)[C@H](C1CCCCC1)N1C(=O)/C(=C/c2ccc(-c3cccc…
|
| CHEMBL133541 ChEMBL | A0A045ISB3 | — | 395.4 Da LogP 3.62 TPSA 119.1 | ✓ Ro5 | ✓ Clean |
COC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2cc(C(=O)O)no…
|
| CHEMBL1773168 ChEMBL | P96830 | — | 380.5 Da LogP 4.55 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
CCCCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1
|
| CHEMBL4210532 ChEMBL | A0A0H3M0T0 | — | 375.4 Da LogP 5.22 TPSA 83.6 | 1 viol. | ✓ Clean |
O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2ccc(O)c(F)c2…
|
| CHEMBL4212874 ChEMBL | A0A0H3M0T0 | — | 357.4 Da LogP 5.08 TPSA 83.6 | 1 viol. | ✓ Clean |
O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2ccc(O)cc2)c1
|
Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).
| Ligand | Tanimoto | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| ZINC2184757 ZINC | 1.000 | 380.5 Da LogP 4.55 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
CCCCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1
|
| ZINC35038958 ZINC | 0.942 | 365.5 Da LogP 3.54 TPSA 66.8 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S
|
| ZINC5371331 ZINC | 0.942 | 365.5 Da LogP 3.54 TPSA 66.8 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1…
|
| ZINC5371333 ZINC | 0.942 | 365.5 Da LogP 3.54 TPSA 66.8 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S
|
| ZINC6635800 ZINC | 0.942 | 365.5 Da LogP 3.54 TPSA 66.8 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OC)cc2)SC1…
|
| ZINC35040518 ZINC | 0.940 | 369.9 Da LogP 4.18 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S
|
| ZINC5371907 ZINC | 0.940 | 369.9 Da LogP 4.18 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1…
|
| ZINC5371908 ZINC | 0.940 | 369.9 Da LogP 4.18 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S
|
| ZINC6635797 ZINC | 0.940 | 369.9 Da LogP 4.18 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1…
|
| ZINC27094665 ZINC | 0.920 | 380.5 Da LogP 4.55 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
CCCCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)NC3=O)cc1
|
| ZINC20185146 ZINC | 0.861 | 271.3 Da LogP 2.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Nc1ccc(OCc2ccccc2)cc1
|
| ZINC16406610 ZINC | 0.821 | 298.3 Da LogP 3.40 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)…
|
| ZINC17021333 ZINC | 0.821 | 253.3 Da LogP 3.49 TPSA 60.2 | ✓ Ro5 | ✓ Clean |
O=C(/C=C\c1ccccc1)c1cccc([N+](=O)[O-])c1
|
| ZINC2053490401 ZINC | 0.821 | 253.3 Da LogP 3.49 TPSA 60.2 | ✓ Ro5 | ✓ Clean |
O=C(C=Cc1ccccc1)c1cccc([N+](=O)[O-])c1
|
| ZINC2382313342 ZINC | 0.821 | 298.3 Da LogP 3.40 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O…
|
| ZINC4159317 ZINC | 0.821 | 253.3 Da LogP 3.49 TPSA 60.2 | ✓ Ro5 | ✓ Clean |
O=C(/C=C/c1ccccc1)c1cccc([N+](=O)[O-])c1
|
| ZINC4566885 ZINC | 0.821 | 298.3 Da LogP 3.40 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)…
|
| ZINC35038749 ZINC | 0.811 | 349.5 Da LogP 3.84 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C)cc2)SC1=S
|
| ZINC5371178 ZINC | 0.811 | 349.5 Da LogP 3.84 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S
|
| ZINC5371180 ZINC | 0.811 | 349.5 Da LogP 3.84 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S
|
| ZINC6635794 ZINC | 0.811 | 349.5 Da LogP 3.84 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C)cc2)SC1=S
|
| ZINC35038840 ZINC | 0.808 | 351.4 Da LogP 3.24 TPSA 77.8 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S
|
| ZINC5371236 ZINC | 0.808 | 351.4 Da LogP 3.24 TPSA 77.8 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S
|
| ZINC5371238 ZINC | 0.808 | 351.4 Da LogP 3.24 TPSA 77.8 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S
|
| ZINC6635799 ZINC | 0.808 | 351.4 Da LogP 3.24 TPSA 77.8 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S
|
| ZINC35041440 ZINC | 0.789 | 379.5 Da LogP 3.93 TPSA 66.8 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC)cc2)SC1…
|
| ZINC5372279 ZINC | 0.789 | 379.5 Da LogP 3.93 TPSA 66.8 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCC)cc2)SC…
|
| ZINC5372282 ZINC | 0.789 | 379.5 Da LogP 3.93 TPSA 66.8 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCC)cc2)SC1…
|
| ZINC6635801 ZINC | 0.789 | 379.5 Da LogP 3.93 TPSA 66.8 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC)cc2)SC…
|
| ZINC5375012 ZINC | 0.778 | 363.5 Da LogP 3.34 TPSA 74.7 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC…
|
| ZINC5375014 ZINC | 0.778 | 363.5 Da LogP 3.34 TPSA 74.7 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1…
|
| ZINC35038685 ZINC | 0.774 | 335.4 Da LogP 3.53 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2)SC1=S
|
| ZINC5371112 ZINC | 0.774 | 335.4 Da LogP 3.53 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S
|
| ZINC5371115 ZINC | 0.774 | 335.4 Da LogP 3.53 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S
|
| ZINC6635813 ZINC | 0.774 | 335.4 Da LogP 3.53 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2)SC1=S
|
| ZINC6313491 ZINC | 0.767 | 309.4 Da LogP 4.79 TPSA 60.2 | ✓ Ro5 | ✓ Clean |
CC(C)(C)c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)…
|
| ZINC2059774 ZINC | 0.764 | 337.4 Da LogP 2.76 TPSA 66.8 | ✓ Ro5 | Alert |
CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S
|
| ZINC2059776 ZINC | 0.764 | 337.4 Da LogP 2.76 TPSA 66.8 | ✓ Ro5 | Alert |
CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S
|
| ZINC35040259 ZINC | 0.764 | 379.5 Da LogP 3.23 TPSA 94.9 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)…
|
| ZINC35040410 ZINC | 0.764 | 353.4 Da LogP 3.67 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S
|
| ZINC35041401 ZINC | 0.764 | 363.5 Da LogP 4.09 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(CC)cc2)SC1=S
|
| ZINC5371704 ZINC | 0.764 | 379.5 Da LogP 3.23 TPSA 94.9 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2…
|
| ZINC5371707 ZINC | 0.764 | 379.5 Da LogP 3.23 TPSA 94.9 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)…
|
| ZINC5371837 ZINC | 0.764 | 353.4 Da LogP 3.67 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S
|
| ZINC5371957 ZINC | 0.764 | 414.3 Da LogP 4.29 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1…
|
| ZINC5371959 ZINC | 0.764 | 414.3 Da LogP 4.29 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S
|
| ZINC5372258 ZINC | 0.764 | 363.5 Da LogP 4.09 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S
|
| ZINC6635791 ZINC | 0.764 | 379.5 Da LogP 3.23 TPSA 94.9 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2…
|
| ZINC6635795 ZINC | 0.764 | 363.5 Da LogP 4.09 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(CC)cc2)SC1…
|
| ZINC6635798 ZINC | 0.764 | 353.4 Da LogP 3.67 TPSA 57.6 | ✓ Ro5 | Alert |
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S
|
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
CHEMBL4637373
ChEMBL
CHEMBL4647367
ChEMBL
CHEMBL4638011
ChEMBL
CHEMBL4649112
ChEMBL
CHEMBL4637459
ChEMBL
CHEMBL3769851
ChEMBL
CHEMBL4633958
ChEMBL
CHEMBL4641106
ChEMBL
CHEMBL5848788
ChEMBL
CHEMBL4647032
ChEMBL
CHEMBL4645770
ChEMBL
CHEMBL4649838
ChEMBL
CHEMBL4632655
ChEMBL
CHEMBL4636548
ChEMBL
CHEMBL4644874
ChEMBL
CHEMBL4646506
ChEMBL
CHEMBL2316902
ChEMBL
CHEMBL4635765
ChEMBL
CHEMBL4647377
ChEMBL
CHEMBL4640123
ChEMBL
CHEMBL4649291
ChEMBL
CHEMBL4642274
ChEMBL
CHEMBL4636357
ChEMBL
CHEMBL4635176
ChEMBL
CHEMBL4649071
ChEMBL
CHEMBL4649843
ChEMBL
CHEMBL1765363
ChEMBL
CHEMBL3235985
ChEMBL
CHEMBL4632818
ChEMBL
CHEMBL4213459
ChEMBL
CHEMBL4647989
ChEMBL
CHEMBL4290098
ChEMBL
CHEMBL1765362
ChEMBL
CHEMBL1765366
ChEMBL
CHEMBL4635310
ChEMBL
CHEMBL5625121
ChEMBL
CHEMBL5624568
ChEMBL
CHEMBL368885
ChEMBL
CHEMBL5631059
ChEMBL
CHEMBL4279417
ChEMBL
CHEMBL4638054
ChEMBL
CHEMBL5625142
ChEMBL
CHEMBL178884
ChEMBL
CHEMBL5630431
ChEMBL
7XY
ChEMBL
CHEMBL1164991
ChEMBL
CHEMBL5624636
ChEMBL
CHEMBL5631051
ChEMBL
CHEMBL5630980
ChEMBL
CHEMBL5630876
ChEMBL
CHEMBL5625012
ChEMBL
CHEMBL4649025
ChEMBL
CHEMBL5630372
ChEMBL
CHEMBL5624831
ChEMBL
CHEMBL5624750
ChEMBL
CHEMBL5624932
ChEMBL
CHEMBL4642395
ChEMBL
CHEMBL4632681
ChEMBL
CHEMBL5625090
ChEMBL
CHEMBL5630201
ChEMBL
CHEMBL5630421
ChEMBL
CHEMBL4215472
ChEMBL
CHEMBL4641525
ChEMBL
CHEMBL3942054
ChEMBL
CHEMBL5630798
ChEMBL
CHEMBL5631198
ChEMBL
CHEMBL4211060
ChEMBL
CHEMBL5630776
ChEMBL
CHEMBL5630964
ChEMBL
CHEMBL4217308
ChEMBL
CHEMBL5220804
ChEMBL
CHEMBL5624504
ChEMBL
CHEMBL133541
ChEMBL
CHEMBL1773168
ChEMBL
CHEMBL4210532
ChEMBL
CHEMBL4212874