Length
359
Pocket druggability (P2Rank · AlphaFold DB model)
0.256
Metabolic reactions
4
Chokepoint
No
Direct ligand evidence
0
120 total records
Functional annotation
1 EC
7 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
Central metabolic position
More central than 99.4% of genes in this genome.
No similar human protein detected
The current BLAST sequence screen did not find a significant human match, lowering apparent off-target risk.
Core gene across strains
Marked as conserved by both pan-genome tools: Roary and CoreCruncher.
Structure available
AlphaFold DB model + ColabFold model
Review the complete evidence below
Risks to review
Microbiome similarity
201 of 4744 screened genomes (4.2%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.26) — check the ligand evidence before deprioritizing on off-target risk alone.
Best pocket may be a modeling artifact
FPocket selected-pocket score 0.48, but this pocket's geometry is unusually large/diffuse compared to this protein's other predicted pockets — may reflect a low-confidence or disordered model region rather than a real cavity.
Weak second pocket-predictor signal
P2Rank predicted binding-site probability 0.26.
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
- 4.2% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.
Essentiality
- Essential (DEG)
- Y
- DEG identity (%)
- 95.543 Higher values support similarity to known essential genes.
- DEG E-value
- 0.0 Smaller values mean stronger essential-gene similarity.
Structure confidence
- ColabFold pLDDT
- 95.45 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)
0.256
Druggability (FPocket)
0.48
ColabFold model
Core conservation
Conserved core gene
Gut microbiome
201 / 4744
genomes with a hit
Sequence
Primary amino-acid sequence viewer.
MSKIFDFVKPGVITGDDVQKVFQVAKENNFALPAVNCVGTDSINAVLEAAAKVRSPVIVQFSNGGAAFIAGKGVKTDVPQGAAILGAISGAHHVHQMAEHYGVPVILHTDHCAKKLLPWIDGLLDAGEKHFAATGKPLFSSHMIDLSEESLHENIEICSKYLARMAKMGMTLEIELGCTGGEEDGVDNSHMDASALYTQPEDVDYAYTELSKISPRFTIAASFGNVHGVYKPGNVVLTPTILRDSQEYVSKKHNLPHNSLNFVFHGGSGSSAQEIKDSVSYGVVKMNIDTDTQWATWDGILQYYKANEAYLQGQLGNPKGEDQPNKKYYDPRVWLRAAQTSMVTRLEQAFKELNAIDVL
Functional annotations
Enzyme classification and Gene Ontology terms linked to this protein.
1 EC
7 GO
Subcellular localization
- Localization
- Cytoplasmic
Enzyme Commission (EC)
1Gene Ontology (GO)
7- GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
- GO:0016832 Catalysis of the cleavage of a C-C bond in a molecule containing a hydroxyl group and a carbonyl group to form two smaller molecules, each being an aldehyde or a ketone.
- GO:0008270 Binding to a zinc ion (Zn).
- GO:0004332 Catalysis of the reaction: beta-D-fructose 1,6-bisphosphate = D-glyceraldehyde 3-phosphate + dihydroxyacetone phosphate.
- GO:0006096 The chemical reactions and pathways resulting in the breakdown of a carbohydrate into pyruvate, with the concomitant production of a small amount of ATP and the reduction of NAD(P) to NAD(P)H. Glycolysis begins with the metabolism of a carbohydrate to generate products that can enter the pathway and ends with the production of pyruvate. Pyruvate may be converted to acetyl-coenzyme A, ethanol, lactate, or other small molecules.
- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0006094 The formation of glucose from noncarbohydrate precursors, such as pyruvate, amino acids and glycerol.
Sequence domains and features
Domain and signature matches imported from InterPro and related databases.
20 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 17 | 355 | Pfam | PF01116 | Fructose-bisphosphate aldolase class-II |
| 17 | 355 | InterPro | IPR000771 | Fructose-bisphosphate aldolase, class-II |
| 3 | 358 | PANTHER | PTHR30559 | FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS 2 |
| 3 | 358 | InterPro | IPR006411 | Fructose-bisphosphate aldolase, class II, yeast/E. coli subtype |
| 4 | 358 | NCBIfam | TIGR01520 | class II fructose-bisphosphate aldolase |
| 4 | 358 | InterPro | IPR006411 | Fructose-bisphosphate aldolase, class II, yeast/E. coli subtype |
| 172 | 183 | ProSitePatterns | PS00806 | Fructose-bisphosphate aldolase class-II signature 2. |
| 172 | 183 | InterPro | IPR000771 | Fructose-bisphosphate aldolase, class-II |
| 13 | 359 | PIRSF | PIRSF001359 | F_bP_aldolase_II |
| 13 | 359 | InterPro | IPR000771 | Fructose-bisphosphate aldolase, class-II |
| 4 | 357 | SUPERFAMILY | SSF51569 | Aldolase |
| 2 | 359 | FunFam | G3DSA:3.20.20.70:FF:000013 | Class II fructose-bisphosphate aldolase |
| 15 | 359 | CDD | cd00946 | FBP_aldolase_IIA |
| 15 | 359 | InterPro | IPR006411 | Fructose-bisphosphate aldolase, class II, yeast/E. coli subtype |
| 14 | 357 | NCBIfam | TIGR00167 | ketose-bisphosphate aldolase |
| 14 | 357 | InterPro | IPR000771 | Fructose-bisphosphate aldolase, class-II |
| 101 | 112 | ProSitePatterns | PS00602 | Fructose-bisphosphate aldolase class-II signature 1. |
| 101 | 112 | InterPro | IPR000771 | Fructose-bisphosphate aldolase, class-II |
| 2 | 359 | Gene3D | G3DSA:3.20.20.70 | Aldolase class I |
| 2 | 359 | InterPro | IPR013785 | Aldolase-type TIM barrel |
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
0.256
Surrounding area
Pocket 2
P2Rank #2
0.219
Surrounding area
Pocket 3
P2Rank #3
0.179
Likely same site as FPocket 1
1.4 Å
14 shared residues
100% of smaller site
Show in viewer
Surrounding area
Pocket 4
P2Rank #4
0.107
Surrounding area
Pocket 5
P2Rank #5
0.064
Surrounding area
Binding pockets · FPocket
Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4
Pocket 1
FPocket #1
0.48
Unusual size
Likely same site as P2Rank 3
1.4 Å
14 shared residues
100% of smaller site
Show in viewer
Surrounding area
Residue sets
UniProt: Active site:110-110
Proton donor
UniProt: Binding site:111-111
UniProt: Binding site:145-145
UniProt: Binding site:175-175
UniProt: Binding site:227-227
UniProt: Binding site:228-228
UniProt: Binding site:265-265
UniProt: Binding site:266-268
UniProt: Binding site:287-290
Binding pockets · P2Rank
Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2
Pocket 1
P2Rank #1
0.29
Likely same site as FPocket 1
1.2 Å
11 shared residues
100% of smaller site
Show in viewer
Surrounding area
Pocket 2
P2Rank #2
0.128
Surrounding area
Pocket 3
P2Rank #3
0.112
Surrounding area
Pocket 4
P2Rank #4
0.062
Surrounding area
Pocket 5
P2Rank #5
0.048
Surrounding area
Binding pockets · FPocket
Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4
Pocket 1
FPocket #2
0.489
Unusual size
Surrounding area
Pocket 2
FPocket #1
0.441
Likely same site as P2Rank 1
1.2 Å
11 shared residues
100% of smaller site
Show in viewer
Surrounding area
Residue sets
UniProt: Active site:110-110
Proton donor
UniProt: Binding site:111-111
UniProt: Binding site:145-145
UniProt: Binding site:175-175
UniProt: Binding site:227-227
UniProt: Binding site:228-228
UniProt: Binding site:265-265
UniProt: Binding site:266-268
UniProt: Binding site:287-290
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_A0A0H3GV85
|
AlphaFold DB | — | — | full sequence | — | Viewing |
|
ColabFold
VK055_4128
|
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.
120 records
Chemistry signal
Structural and bioactivity evidence are both available for this target.
Direct evidence
0
same-protein records
Transferred evidence
70
records from similar proteins
Structural ligands
8
0 loaded crystals
Measured bioactivity
62
direct and transferred ChEMBL records
Proposed compounds
50
similarity-based ZINC candidates
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.
| Ligand | Source crystal | UniProt (homolog) | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| 13P RCSB PDB | P0AB71 | 170.1 Da LogP -1.34 TPSA 104.1 | ✓ Ro5 | ✓ Clean |
C(C(=O)COP(=O)(O)O)O
|
|
| 2FP RCSB PDB | P9WQA3 | 340.1 Da LogP -3.14 TPSA 211.3 | 1 viol. | ✓ Clean |
C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(…
|
|
| 8HC RCSB PDB | P9WQA3 | 189.2 Da LogP 1.64 TPSA 70.4 | ✓ Ro5 | ✓ Clean |
c1cc2ccc(nc2c(c1)O)C(=O)O
|
|
| FLC RCSB PDB | W8TRN9 | 189.1 Da LogP -5.25 TPSA 140.6 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
|
|
| G3P RCSB PDB | P9WQA3 | 172.1 Da LogP -1.55 TPSA 107.2 | ✓ Ro5 | ✓ Clean |
C([C@H](COP(=O)(O)O)O)O
|
|
| GOS RCSB PDB | P0AB71 | 342.1 Da LogP -3.35 TPSA 214.4 | 1 viol. | ✓ Clean |
C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O)…
|
|
| MLT RCSB PDB | Q6TV43 | 134.1 Da LogP -1.09 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
C([C@H](C(=O)O)O)C(=O)O
|
|
| NH4 RCSB PDB | P0AB71 | 18.0 Da LogP 0.38 TPSA 36.5 | ✓ Ro5 | ✓ Clean |
[NH4+]
|
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 |
|---|---|---|---|---|---|---|
| PGH ChEMBL | P0AB71 | 8.00 ~10.0 nM | 171.0 Da LogP -1.40 TPSA 116.1 | ✓ Ro5 | ✓ Clean |
C(C(=O)NO)OP(=O)(O)O
|
| TD4 ChEMBL | A0A380PJR2 | 7.44 ~36.3 nM | 323.1 Da LogP -0.80 TPSA 174.1 | ✓ Ro5 | ✓ Clean |
C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O
|
| CHEMBL1982521 ChEMBL | P9WQA3 | 6.70 ~199.5 nM | 407.5 Da LogP 4.41 TPSA 80.8 | ✓ Ro5 | ✓ Clean |
N#CCC(=O)N/N=C/c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2…
|
| PH4 ChEMBL | Q9URB4 | 6.70 ~199.5 nM | 309.1 Da LogP -1.19 TPSA 174.1 | ✓ Ro5 | ✓ Clean |
C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O
|
| CHEMBL1464738 ChEMBL | P9WQA3 | 6.67 ~213.8 nM | 429.5 Da LogP 3.86 TPSA 101.2 | ✓ Ro5 | ✓ Clean |
C=CCNc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)nc(N2CCOCC2…
|
| CHEMBL1278086 ChEMBL | Q9URB4 | 6.56 ~275.4 nM | 341.3 Da LogP 1.22 TPSA 133.6 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OCCCCN(O)C(=O)COP(=O)(O)O
|
| CHEMBL1236227 ChEMBL | Q9URB4 | 6.53 ~295.1 nM | 243.2 Da LogP -0.91 TPSA 127.5 | ✓ Ro5 | ✓ Clean |
O=C(COP(=O)(O)O)N(O)CCCCO
|
| CHEMBL1276292 ChEMBL | Q9URB4 | 6.40 ~398.1 nM | 229.1 Da LogP -1.30 TPSA 127.5 | ✓ Ro5 | ✓ Clean |
O=C(COP(=O)(O)O)N(O)CCCO
|
| CHEMBL1429930 ChEMBL | P9WQA3 | 6.33 ~467.7 nM | 389.9 Da LogP 5.33 TPSA 46.4 | 1 viol. | ✓ Clean |
Cc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1CCc1ccncc1
|
| CHEMBL1709293 ChEMBL | P9WQA3 | 6.33 ~467.7 nM | 419.5 Da LogP 3.61 TPSA 92.3 | ✓ Ro5 | ✓ Clean |
Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C4CCCCC4…
|
| CHEMBL1608811 ChEMBL | P9WQA3 | 6.32 ~478.6 nM | 421.5 Da LogP 3.07 TPSA 92.9 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCc2ccccc2C1…
|
| CHEMBL1330204 ChEMBL | P9WQA3 | 6.29 ~512.9 nM | 238.3 Da LogP 3.69 TPSA 52.0 | ✓ Ro5 | ✓ Clean |
Cc1cc(C)c2oc(-c3cccc(N)c3)nc2c1
|
| CHEMBL1982831 ChEMBL | P9WQA3 | 6.25 ~562.3 nM | 393.5 Da LogP 3.89 TPSA 54.5 | ✓ Ro5 | ✓ Clean |
CN(C)c1ccc(-c2ccnc3c2CC(C)(C(=O)NCc2cccs2)O3)cc1
|
| CHEMBL1417696 ChEMBL | P9WQA3 | 6.24 ~575.4 nM | 373.4 Da LogP 2.79 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
CCCCn1c(=O)[nH]c(=O)c2c(C(=O)OCC)cc(-c3cccs3)nc…
|
| CHEMBL1417974 ChEMBL | P9WQA3 | 6.23 ~588.8 nM | 224.3 Da LogP 3.39 TPSA 52.0 | ✓ Ro5 | ✓ Clean |
Cc1ccc2nc(-c3cccc(N)c3)oc2c1
|
| CHEMBL1876674 ChEMBL | P9WQA3 | 6.18 ~660.7 nM | 252.3 Da LogP 2.68 TPSA 56.7 | ✓ Ro5 | ✓ Clean |
Cc1nc2c(cc1N)nc(C)n2Cc1ccccc1
|
| CHEMBL1566050 ChEMBL | P9WQA3 | 6.17 ~676.1 nM | 424.5 Da LogP 1.94 TPSA 146.0 | ✓ Ro5 | ✓ Clean |
CCCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccc…
|
| CHEMBL2131581 ChEMBL | P9WQA3 | 6.17 ~676.1 nM | 467.5 Da LogP 3.39 TPSA 115.7 | ✓ Ro5 | ✓ Clean |
COc1cccc(/C=C/c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C(…
|
| CHEMBL1471458 ChEMBL | P9WQA3 | 6.14 ~724.4 nM | 254.3 Da LogP 2.40 TPSA 66.0 | ✓ Ro5 | ✓ Clean |
CCOc1ccc(-n2nc3ccc(N)cc3n2)cc1
|
| CHEMBL2356597 ChEMBL | P9WQA3 | 6.14 ~724.4 nM | 433.5 Da LogP 4.16 TPSA 72.9 | ✓ Ro5 | ✓ Clean |
COc1ccc(NC(=O)C2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O…
|
| CHEMBL1403575 ChEMBL | P9WQA3 | 6.11 ~776.2 nM | 418.5 Da LogP 3.18 TPSA 102.2 | ✓ Ro5 | ✓ Clean |
Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1
|
| CHEMBL1278173 ChEMBL | Q9URB4 | 6.10 ~794.3 nM | 425.5 Da LogP 3.56 TPSA 133.6 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)OCCCCN(O)C(=O)COP(=O)(O)O
|
| CHEMBL1468728 ChEMBL | P9WQA3 | 6.10 ~794.3 nM | 404.5 Da LogP 4.94 TPSA 60.5 | ✓ Ro5 | ✓ Clean |
COc1ccc(-c2cc(C(=O)NCC3CCCO3)c3cc(C(C)C)ccc3n2)…
|
| CHEMBL1409396 ChEMBL | P9WQA3 | 6.08 ~831.8 nM | 330.8 Da LogP 4.17 TPSA 64.7 | ✓ Ro5 | ✓ Clean |
Cc1cc2c(SCc3ccccc3Cl)nc(N)nc2nc1C
|
| CHEMBL1305695 ChEMBL | P9WQA3 | 6.07 ~851.1 nM | 371.9 Da LogP 3.08 TPSA 80.9 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C.Cl
|
| CHEMBL1416316 ChEMBL | P9WQA3 | 6.07 ~851.1 nM | 538.0 Da LogP 7.88 TPSA 66.6 | 2 viol. | ✓ Clean |
Cc1ccc2nc(-c3ccc(-c4cccc(Cl)c4)cc3)c(NCc3ccccc3…
|
| CHEMBL1534514 ChEMBL | P9WQA3 | 6.07 ~851.1 nM | 350.4 Da LogP 3.60 TPSA 56.3 | ✓ Ro5 | ✓ Clean |
N#Cc1nc(-c2cccs2)oc1N1CCN(Cc2ccccc2)CC1
|
| CHEMBL1550806 ChEMBL | P9WQA3 | 6.05 ~891.3 nM | 238.3 Da LogP 2.62 TPSA 56.7 | ✓ Ro5 | ✓ Clean |
Cc1ccc(-n2nc3ccc(N)cc3n2)cc1C
|
| CHEMBL1322235 ChEMBL | P9WQA3 | 6.04 ~912.0 nM | 397.4 Da LogP 1.87 TPSA 137.1 | ✓ Ro5 | ✓ Clean |
Cc1c(O)ccc2c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)…
|
| CHEMBL1548989 ChEMBL | P9WQA3 | 6.04 ~912.0 nM | 279.3 Da LogP 4.02 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
Cc1ccc(-c2cnc(-c3ccccc3C(=O)O)o2)cc1
|
| CHEMBL1573047 ChEMBL | P9WQA3 | 6.04 ~912.0 nM | 433.5 Da LogP 6.23 TPSA 43.6 | 1 viol. | ✓ Clean |
OCc1ccc2c(c1)c(-c1ccc3c(c1)OCCO3)c(-c1ccccc1)n2…
|
| CHEMBL1605711 ChEMBL | P9WQA3 | 6.04 ~912.0 nM | 393.5 Da LogP 4.08 TPSA 58.8 | ✓ Ro5 | ✓ Clean |
COc1ccc2cc3cc(C(=O)N4CCN(C5CCCCC5)CC4)oc3nc2c1
|
| CHEMBL611941 ChEMBL | P9WQA3 | 6.04 ~912.0 nM | 252.3 Da LogP 3.31 TPSA 35.5 | ✓ Ro5 | ✓ Clean |
COc1ccc(/C=C2\Oc3ccccc3C2=O)cc1
|
| CHEMBL1366544 ChEMBL | P9WQA3 | 6.01 ~977.2 nM | 410.5 Da LogP 0.63 TPSA 142.7 | ✓ Ro5 | ✓ Clean |
CCNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(=O)NCC
|
| CHEMBL1460744 ChEMBL | P9WQA3 | 6.01 ~977.2 nM | 306.3 Da LogP 2.69 TPSA 73.1 | ✓ Ro5 | ✓ Clean |
COc1ccc2nc3c(O)n(Cc4ccncc4)cnc-3c2c1
|
| CHEMBL1300133 ChEMBL | P9WQA3 | — | 467.7 Da LogP 4.35 TPSA 77.6 | ✓ Ro5 | ✓ Clean |
CCN(CC)CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCC(C)CC3)cc…
|
| CHEMBL1331202 ChEMBL | P9WQA3 | — | 348.2 Da LogP 4.73 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
Cc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)s1
|
| CHEMBL1346018 ChEMBL | P9WQA3 | — | 513.6 Da LogP 3.19 TPSA 140.6 | 1 viol. | ✓ Clean |
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)C(C(=O)NCC2C…
|
| CHEMBL1364365 ChEMBL | P9WQA3 | — | 320.4 Da LogP 2.85 TPSA 113.7 | ✓ Ro5 | Alert |
CCC1OC2(C)OC(=N)C1(C#N)C(C#N)(C#N)C2c1ccccc1
|
| CHEMBL1389755 ChEMBL | P9WQA3 | — | 302.4 Da LogP 4.94 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
Cc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)o1
|
| CHEMBL1391949 ChEMBL | P9WQA3 | — | 487.6 Da LogP 4.22 TPSA 61.4 | ✓ Ro5 | ✓ Clean |
CN1CCN(CCNC(=O)c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F…
|
| CHEMBL1419606 ChEMBL | P9WQA3 | — | 322.4 Da LogP 2.23 TPSA 90.0 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1NC(=O)Cn1c(C)nc2ccc(N)cc2c1=O
|
| CHEMBL1431182 ChEMBL | P9WQA3 | — | 317.4 Da LogP 1.72 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
CS(=O)(=O)NN1C(=O)c2ccccc2NC1c1ccccc1
|
| CHEMBL1431253 ChEMBL | P9WQA3 | — | 318.8 Da LogP 4.13 TPSA 32.3 | ✓ Ro5 | ✓ Clean |
CN1CCSc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21
|
| CHEMBL1431614 ChEMBL | P9WQA3 | — | 397.4 Da LogP 3.34 TPSA 93.9 | ✓ Ro5 | ✓ Clean |
CCOC(=O)N1CCC(NC(=O)c2cc3cc4cc(OC)ccc4nc3o2)CC1
|
| CHEMBL1452334 ChEMBL | P9WQA3 | — | 448.5 Da LogP 2.60 TPSA 76.4 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCN(Cc2ccc3c(c2)O…
|
| CHEMBL1459393 ChEMBL | P9WQA3 | — | 249.3 Da LogP 3.47 TPSA 43.8 | ✓ Ro5 | ✓ Clean |
C=CCn1c(-c2ccc(N)cc2)nc2ccccc21
|
| CHEMBL1468514 ChEMBL | P9WQA3 | — | 213.2 Da LogP 2.61 TPSA 43.3 | ✓ Ro5 | ✓ Clean |
Cc1ccn2cc(-c3cnoc3C)nc2c1
|
| CHEMBL1492872 ChEMBL | P9WQA3 | — | 407.5 Da LogP 2.56 TPSA 95.9 | ✓ Ro5 | ✓ Clean |
CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccc…
|
| CHEMBL1517767 ChEMBL | P9WQA3 | — | 497.6 Da LogP 3.77 TPSA 100.0 | ✓ Ro5 | ✓ Clean |
COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3c(C)cc(C)…
|
| CHEMBL1530673 ChEMBL | P9WQA3 | — | 309.4 Da LogP 4.37 TPSA 49.6 | ✓ Ro5 | ✓ Clean |
N#Cc1ccc(-c2cccs2)nc1SCc1cccnc1
|
| CHEMBL1566758 ChEMBL | P9WQA3 | — | 377.4 Da LogP 1.73 TPSA 97.0 | ✓ Ro5 | ✓ Clean |
COc1ccc(C2Nc3ccccc3C(=O)N2NS(C)(=O)=O)c(OC)c1
|
| CHEMBL1595595 ChEMBL | P9WQA3 | — | 290.3 Da LogP 2.40 TPSA 68.9 | ✓ Ro5 | ✓ Clean |
CCO[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O
|
| CHEMBL1608557 ChEMBL | P9WQA3 | — | 261.3 Da LogP 1.53 TPSA 82.5 | ✓ Ro5 | ✓ Clean |
CCc1c(C)c2ccc(OCC(N)=O)cc2oc1=O
|
| CHEMBL1895454 ChEMBL | P9WQA3 | — | 245.3 Da LogP 2.78 TPSA 50.4 | ✓ Ro5 | ✓ Clean |
Cc1nc2cc(-c3cccs3)nn2c(O)c1C
|
| CHEMBL2144387 ChEMBL | P9WQA3 | — | 322.3 Da LogP 3.79 TPSA 76.7 | ✓ Ro5 | ✓ Clean |
CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccccc21
|
| CHEMBL303846 ChEMBL | P9WQA3 | — | 228.2 Da LogP 2.98 TPSA 39.4 | ✓ Ro5 | ✓ Clean |
CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1
|
| CHEMBL3207326 ChEMBL | P9WQA3 | — | 328.4 Da LogP 4.19 TPSA 63.3 | ✓ Ro5 | Alert |
Cc1nn(-c2ccccc2)c(O)c1/C=N/c1cnc2ccccc2c1
|
| CHEMBL3210814 ChEMBL | P9WQA3 | — | 230.3 Da LogP 1.12 TPSA 68.5 | ✓ Ro5 | ✓ Clean |
CN(C)c1ccc(/C=N\NC(=O)CC#N)cc1
|
| CHEMBL3211355 ChEMBL | P9WQA3 | — | 247.3 Da LogP 4.30 TPSA 32.6 | ✓ Ro5 | ✓ Clean |
Oc1ccccc1/C=N/c1cccc2ccccc12
|
| CHEMBL443510 ChEMBL | P9WQA3 | — | 270.3 Da LogP 4.89 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
C(=C/c1nccc2c1[nH]c1ccccc12)\c1ccccc1
|
| FCN ChEMBL | P0AB71 | — | 138.1 Da LogP -0.09 TPSA 70.1 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@H](O1)P(=O)(O)O
|
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 |
|---|---|---|---|---|---|
| ZINC100559625 ZINC | 1.000 | 419.5 Da LogP 3.61 TPSA 92.3 | ✓ Ro5 | ✓ Clean |
Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C4CCCCC4…
|
| ZINC100612992 ZINC | 1.000 | 320.4 Da LogP 2.85 TPSA 113.7 | ✓ Ro5 | Alert |
CC[C@@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)…
|
| ZINC100612998 ZINC | 1.000 | 320.4 Da LogP 2.85 TPSA 113.7 | ✓ Ro5 | Alert |
CC[C@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[…
|
| ZINC100680786 ZINC | 1.000 | 433.6 Da LogP 4.00 TPSA 92.3 | ✓ Ro5 | ✓ Clean |
Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(C4CCCCC…
|
| ZINC100816021 ZINC | 1.000 | 320.4 Da LogP 2.85 TPSA 113.7 | ✓ Ro5 | Alert |
CC[C@H]1O[C@]2(C)OC(=N)[C@]1(C#N)C(C#N)(C#N)[C@…
|
| ZINC100816023 ZINC | 1.000 | 320.4 Da LogP 2.85 TPSA 113.7 | ✓ Ro5 | Alert |
CC[C@@H]1O[C@]2(C)OC(=N)[C@]1(C#N)C(C#N)(C#N)[C…
|
| ZINC100895271 ZINC | 1.000 | 419.5 Da LogP 3.61 TPSA 92.3 | ✓ Ro5 | ✓ Clean |
Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(C4CCCC4…
|
| ZINC102687500 ZINC | 1.000 | 320.4 Da LogP 2.85 TPSA 113.7 | ✓ Ro5 | Alert |
CC[C@@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)…
|
| ZINC102687502 ZINC | 1.000 | 320.4 Da LogP 2.85 TPSA 113.7 | ✓ Ro5 | Alert |
CC[C@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[…
|
| ZINC122977 ZINC | 1.000 | 238.3 Da LogP 3.69 TPSA 52.0 | ✓ Ro5 | ✓ Clean |
Cc1cc(C)c2oc(-c3cccc(N)c3)nc2c1
|
| ZINC123082 ZINC | 1.000 | 254.3 Da LogP 2.40 TPSA 66.0 | ✓ Ro5 | ✓ Clean |
CCOc1ccc(-n2nc3ccc(N)cc3n2)cc1
|
| ZINC12501520 ZINC | 1.000 | 458.5 Da LogP -0.88 TPSA 123.5 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC13592615 ZINC | 1.000 | 467.5 Da LogP 3.39 TPSA 115.7 | ✓ Ro5 | ✓ Clean |
COc1cccc(/C=C/c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C(…
|
| ZINC13634514 ZINC | 1.000 | 270.3 Da LogP 4.89 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
C(=C/c1nccc2c1[nH]c1ccccc12)\c1ccccc1
|
| ZINC1403521 ZINC | 1.000 | 213.2 Da LogP 2.61 TPSA 43.3 | ✓ Ro5 | ✓ Clean |
Cc1ccn2cc(-c3cnoc3C)nc2c1
|
| ZINC1441646 ZINC | 1.000 | 317.4 Da LogP 1.72 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1
|
| ZINC1441647 ZINC | 1.000 | 317.4 Da LogP 1.72 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccccc1
|
| ZINC15016798 ZINC | 1.000 | 252.3 Da LogP 3.31 TPSA 35.5 | ✓ Ro5 | ✓ Clean |
COc1ccc(/C=C2\Oc3ccccc3C2=O)cc1
|
| ZINC1566233 ZINC | 1.000 | 322.3 Da LogP 3.79 TPSA 76.7 | ✓ Ro5 | ✓ Clean |
CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccccc21
|
| ZINC1685092 ZINC | 1.000 | 330.8 Da LogP 4.17 TPSA 64.7 | ✓ Ro5 | ✓ Clean |
Cc1cc2c(SCc3ccccc3Cl)nc(N)nc2nc1C
|
| ZINC20151772 ZINC | 1.000 | 448.5 Da LogP 2.60 TPSA 76.4 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCN(Cc2ccc3c(c2)O…
|
| ZINC203382 ZINC | 1.000 | 249.3 Da LogP 3.47 TPSA 43.8 | ✓ Ro5 | ✓ Clean |
C=CCn1c(-c2ccc(N)cc2)nc2ccccc21
|
| ZINC205004 ZINC | 1.000 | 348.2 Da LogP 4.73 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
Cc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)s1
|
| ZINC2101677 ZINC | 1.000 | 397.4 Da LogP 1.87 TPSA 137.1 | ✓ Ro5 | ✓ Clean |
Cc1c(O)ccc2c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)…
|
| ZINC2291595 ZINC | 1.000 | 418.5 Da LogP 3.18 TPSA 102.2 | ✓ Ro5 | ✓ Clean |
Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1
|
| ZINC2403517 ZINC | 1.000 | 424.5 Da LogP 1.94 TPSA 146.0 | ✓ Ro5 | ✓ Clean |
CCCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccc…
|
| ZINC338304 ZINC | 1.000 | 228.2 Da LogP 2.98 TPSA 39.4 | ✓ Ro5 | ✓ Clean |
CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1
|
| ZINC34847925 ZINC | 1.000 | 421.5 Da LogP 3.07 TPSA 92.9 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCc2ccccc2C1…
|
| ZINC3874716 ZINC | 1.000 | 414.5 Da LogP -0.90 TPSA 114.3 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC39959504 ZINC | 1.000 | 252.3 Da LogP 3.31 TPSA 35.5 | ✓ Ro5 | ✓ Clean |
COc1ccc(/C=C2/Oc3ccccc3C2=O)cc1
|
| ZINC4036191 ZINC | 1.000 | 407.5 Da LogP 2.56 TPSA 95.9 | ✓ Ro5 | ✓ Clean |
CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c…
|
| ZINC4036192 ZINC | 1.000 | 407.5 Da LogP 2.56 TPSA 95.9 | ✓ Ro5 | ✓ Clean |
CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1…
|
| ZINC4283769 ZINC | 1.000 | 238.3 Da LogP -0.96 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCO
|
| ZINC4521548 ZINC | 1.000 | 282.3 Da LogP -0.95 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCO
|
| ZINC464458 ZINC | 1.000 | 261.3 Da LogP 1.53 TPSA 82.5 | ✓ Ro5 | ✓ Clean |
CCc1c(C)c2ccc(OCC(N)=O)cc2oc1=O
|
| ZINC49557473 ZINC | 1.000 | 279.3 Da LogP 4.02 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
Cc1ccc(-c2cnc(-c3ccccc3C(=O)O)o2)cc1
|
| ZINC5178829 ZINC | 1.000 | 326.4 Da LogP -0.93 TPSA 95.8 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5178830 ZINC | 1.000 | 370.4 Da LogP -0.91 TPSA 105.1 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC54061436 ZINC | 1.000 | 350.4 Da LogP 3.60 TPSA 56.3 | ✓ Ro5 | ✓ Clean |
N#Cc1nc(-c2cccs2)oc1N1CCN(Cc2ccccc2)CC1
|
| ZINC545875 ZINC | 1.000 | 309.4 Da LogP 4.37 TPSA 49.6 | ✓ Ro5 | ✓ Clean |
N#Cc1ccc(-c2cccs2)nc1SCc1cccnc1
|
| ZINC8628728 ZINC | 1.000 | 270.3 Da LogP 4.89 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
C(=C\c1nccc2c1[nH]c1ccccc12)\c1ccccc1
|
| ZINC95919529 ZINC | 1.000 | 247.3 Da LogP 4.30 TPSA 32.6 | ✓ Ro5 | ✓ Clean |
Oc1ccccc1/C=N/c1cccc2ccccc12
|
| ZINC100627872 ZINC | 0.982 | 405.5 Da LogP 3.22 TPSA 92.3 | ✓ Ro5 | ✓ Clean |
Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C4CCCC4)…
|
| ZINC4008294 ZINC | 0.980 | 335.4 Da LogP 2.66 TPSA 80.9 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1oc2cccc(OC[C@H](O)CNC(C)C)c2c1C
|
| ZINC4008295 ZINC | 0.980 | 335.4 Da LogP 2.66 TPSA 80.9 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1oc2cccc(OC[C@@H](O)CNC(C)C)c2c1C
|
| ZINC2638087 ZINC | 0.897 | 359.4 Da LogP 2.40 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
CCCn1c(=O)[nH]c(=O)c2c(C(=O)OCC)cc(-c3cccs3)nc21
|
| ZINC9057778 ZINC | 0.887 | 438.5 Da LogP 2.33 TPSA 146.0 | ✓ Ro5 | ✓ Clean |
CCCCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3cc…
|
| ZINC2400582 ZINC | 0.870 | 452.5 Da LogP 2.72 TPSA 146.0 | ✓ Ro5 | ✓ Clean |
CCCCCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3c…
|
| ZINC2102702 ZINC | 0.865 | 381.4 Da LogP 2.16 TPSA 116.8 | ✓ Ro5 | ✓ Clean |
Cc1c(O)ccc2c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc(…
|
| ZINC19891456 ZINC | 0.864 | 420.5 Da LogP 2.02 TPSA 111.4 | ✓ Ro5 | ✓ Clean |
Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCOCC1
|
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
PGH
ChEMBL
TD4
ChEMBL
CHEMBL1982521
ChEMBL
PH4
ChEMBL
CHEMBL1464738
ChEMBL
CHEMBL1278086
ChEMBL
CHEMBL1236227
ChEMBL
CHEMBL1276292
ChEMBL
CHEMBL1429930
ChEMBL
CHEMBL1709293
ChEMBL
CHEMBL1608811
ChEMBL
CHEMBL1330204
ChEMBL
CHEMBL1982831
ChEMBL
CHEMBL1417696
ChEMBL
CHEMBL1417974
ChEMBL
CHEMBL1876674
ChEMBL
CHEMBL1566050
ChEMBL
CHEMBL2131581
ChEMBL
CHEMBL1471458
ChEMBL
CHEMBL2356597
ChEMBL
CHEMBL1403575
ChEMBL
CHEMBL1278173
ChEMBL
CHEMBL1468728
ChEMBL
CHEMBL1409396
ChEMBL
CHEMBL1305695
ChEMBL
CHEMBL1416316
ChEMBL
CHEMBL1534514
ChEMBL
CHEMBL1550806
ChEMBL
CHEMBL1322235
ChEMBL
CHEMBL1548989
ChEMBL
CHEMBL1573047
ChEMBL
CHEMBL1605711
ChEMBL
CHEMBL611941
ChEMBL
CHEMBL1366544
ChEMBL
CHEMBL1460744
ChEMBL
CHEMBL1300133
ChEMBL
CHEMBL1331202
ChEMBL
CHEMBL1346018
ChEMBL
CHEMBL1364365
ChEMBL
CHEMBL1389755
ChEMBL
CHEMBL1391949
ChEMBL
CHEMBL1419606
ChEMBL
CHEMBL1431182
ChEMBL
CHEMBL1431253
ChEMBL
CHEMBL1431614
ChEMBL
CHEMBL1452334
ChEMBL
CHEMBL1459393
ChEMBL
CHEMBL1468514
ChEMBL
CHEMBL1492872
ChEMBL
CHEMBL1517767
ChEMBL
CHEMBL1530673
ChEMBL
CHEMBL1566758
ChEMBL
CHEMBL1595595
ChEMBL
CHEMBL1608557
ChEMBL
CHEMBL1895454
ChEMBL
CHEMBL2144387
ChEMBL
CHEMBL303846
ChEMBL
CHEMBL3207326
ChEMBL
CHEMBL3210814
ChEMBL
CHEMBL3211355
ChEMBL
CHEMBL443510
ChEMBL
FCN