Overview
Basic information about this protein and its source genome.
- Accession
- PA3695
- Gene
- PA3695
- Status
- annotated
- Amino acids
- 301
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 29.167
- Human E-value
- 4.81e-08
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- Localization
- Unknown
Selected Druggability evidence
Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
2- GO:0008233 Catalysis of the hydrolysis of a peptide bond. A peptide bond is a covalent bond formed when the carbon atom from the carboxyl group of one amino acid shares electrons with the nitrogen atom from the amino group of a second amino acid.
- GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 98 | 109 | PRINTS | PR00793 | Prolyl aminopeptidase (S33) family signature |
| 98 | 109 | InterPro | IPR002410 | Peptidase S33 |
| 142 | 156 | PRINTS | PR00793 | Prolyl aminopeptidase (S33) family signature |
| 142 | 156 | InterPro | IPR002410 | Peptidase S33 |
| 71 | 79 | PRINTS | PR00793 | Prolyl aminopeptidase (S33) family signature |
| 71 | 79 | InterPro | IPR002410 | Peptidase S33 |
| 1 | 19 | ProSiteProfiles | PS51257 | Prokaryotic membrane lipoprotein lipid attachment site profile. |
| 4 | 16 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 1 | 3 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 17 | 21 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 5 | 24 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 21 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 26 | 276 | SUPERFAMILY | SSF53474 | alpha/beta-Hydrolases |
| 26 | 276 | InterPro | IPR029058 | Alpha/Beta hydrolase fold |
| 67 | 171 | Pfam | PF12146 | Serine aminopeptidase, S33 |
| 67 | 171 | InterPro | IPR022742 | Serine aminopeptidase, S33 |
| 156 | 169 | PRINTS | PR00111 | Alpha/beta hydrolase fold signature |
| 156 | 169 | InterPro | IPR000073 | Alpha/beta hydrolase fold-1 |
| 95 | 110 | PRINTS | PR00111 | Alpha/beta hydrolase fold signature |
| 95 | 110 | InterPro | IPR000073 | Alpha/beta hydrolase fold-1 |
| 142 | 155 | PRINTS | PR00111 | Alpha/beta hydrolase fold signature |
| 142 | 155 | InterPro | IPR000073 | Alpha/beta hydrolase fold-1 |
| 38 | 259 | PANTHER | PTHR12277 | ALPHA/BETA HYDROLASE DOMAIN-CONTAINING PROTEIN |
| 25 | 277 | Gene3D | G3DSA:3.40.50.1820 | alpha/beta hydrolase |
| 25 | 277 | InterPro | IPR029058 | Alpha/Beta hydrolase fold |
| 22 | 301 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 1 | 21 | SignalP_EUK | SignalP-noTM | SignalP-noTM |
3D Structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.
Loading 3D structure...
Structural evidence
0 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
PA3695
|
AlphaFold | — | — | full sequence | — | Viewing |
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer
Pockets (FPOCKET)
Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).
| FPOCKET | Sticks | Spheres | Surfaces | Druggability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|
| 2 | 0.839 | ||||||
| 3 | 0.414 |
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.
Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, 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 |
|---|---|---|---|---|---|---|
| OXE | Q97KV0 | 106.2 Da LogP 2.30 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1C
|
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 |
|---|---|---|---|---|---|---|
| CHEMBL4444498 | Q99LR1 | 7.96 | 558.4 Da LogP 6.43 TPSA 71.5 | 2 viol. | ✓ Clean |
FC(F)(F)Oc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC…
|
| CHEMBL4567616 | Q99LR1 | 7.60 | 524.0 Da LogP 5.78 TPSA 71.5 | 2 viol. | ✓ Clean |
FC(F)(F)Oc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC…
|
| CHEMBL4451662 | Q99LR1 | 7.58 | 503.6 Da LogP 5.43 TPSA 71.5 | 2 viol. | ✓ Clean |
Cc1c(Oc2ccc(OC(F)(F)F)cc2)ccnc1N1CCC(NC(=S)Nc2c…
|
| CHEMBL4517420 | Q99LR1 | 7.48 | 558.4 Da LogP 6.43 TPSA 71.5 | 2 viol. | ✓ Clean |
FC(F)(F)Oc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC…
|
| CHEMBL175247 | Q8N2K0 | 7.10 | 495.7 Da LogP 6.88 TPSA 81.7 | 1 viol. | ✓ Clean |
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC…
|
| CHEMBL4446703 | Q99LR1 | 7.05 | 524.0 Da LogP 5.78 TPSA 71.5 | 2 viol. | ✓ Clean |
FC(F)(F)Oc1cccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)C…
|
| CHEMBL4587861 | Q99LR1 | 7.02 | 524.0 Da LogP 5.78 TPSA 71.5 | 2 viol. | ✓ Clean |
FC(F)(F)Oc1ccccc1Oc1ccnc(N2CCC(NC(=S)Nc3cccnc3)…
|
| CHEMBL4463441 | Q99LR1 | 6.75 | 514.5 Da LogP 4.99 TPSA 95.3 | 1 viol. | ✓ Clean |
N#Cc1c(Oc2ccc(OC(F)(F)F)cc2)ccnc1N1CCC(NC(=S)Nc…
|
| CHEMBL4454320 | Q99LR1 | 6.52 | 415.9 Da LogP 4.10 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
FC(F)(F)c1ccnc(N2CCC(NC(=S)Nc3cccnc3)CC2)c1Cl
|
| CHEMBL4590567 | Q99LR1 | 6.50 | 585.6 Da LogP 3.45 TPSA 112.2 | 1 viol. | Alert |
COc1ccc(N2CCN(C(=O)ON3C(=O)C4CN(C(=O)c5ccc(Oc6c…
|
| CHEMBL4555973 | Q99LR1 | 6.40 | 609.6 Da LogP 3.45 TPSA 112.2 | 1 viol. | Alert |
C#CCOc1ccc(N2CCN(C(=O)ON3C(=O)C4CN(C(=O)c5ccc(O…
|
| CHEMBL4549882 | Q99LR1 | 6.39 | 489.5 Da LogP 5.12 TPSA 71.5 | 1 viol. | ✓ Clean |
FC(F)(F)Oc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC…
|
| CHEMBL4461134 | Q99LR1 | 6.27 | 415.9 Da LogP 4.10 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
FC(F)(F)c1cc(Cl)nc(N2CCC(NC(=S)Nc3cccnc3)CC2)c1
|
| CHEMBL4757488 | Q8N2K0 | 6.22 | 450.5 Da LogP 5.60 TPSA 51.1 | 1 viol. | ✓ Clean |
Cc1c(-c2ccc(F)cc2)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1…
|
| CHEMBL4544772 | Q99LR1 | 6.20 | 381.4 Da LogP 3.45 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
FC(F)(F)c1cccc(N2CCC(NC(=S)Nc3cccnc3)CC2)n1
|
| CHEMBL4540383 | Q99LR1 | 6.19 | 381.4 Da LogP 3.45 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
FC(F)(F)c1ccnc(N2CCC(NC(=S)Nc3cccnc3)CC2)c1
|
| CHEMBL113262 | Q99LR1 | — | 370.5 Da LogP 7.94 TPSA 26.3 | 1 viol. | ✓ Clean |
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCP(=O)(F)OC
|
| CHEMBL158897 | Q99LR1 | — | 394.5 Da LogP 4.64 TPSA 101.4 | ✓ Ro5 | ✓ Clean |
O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1
|
| CHEMBL3613003 | Q99LR1 | — | 221.2 Da LogP 0.48 TPSA 83.3 | ✓ Ro5 | ✓ Clean |
COc1nn(Cc2cccc(N)c2)c(=O)o1
|
| CHEMBL3613162 | Q99LR1 | — | 283.3 Da LogP 2.26 TPSA 83.3 | ✓ Ro5 | ✓ Clean |
Nc1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1
|
| CHEMBL4068554 | Q99LR1 | — | 437.5 Da LogP 5.15 TPSA 85.5 | 1 viol. | ✓ Clean |
CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccc(-c2ccc(C(N)…
|
| CHEMBL473511 | Q99LR1 | — | 450.6 Da LogP 7.39 TPSA 61.8 | 1 viol. | ✓ Clean |
CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC)COP(C)(=O)F
|
| CHEMBL5569248 | Q99LR1 | — | 513.5 Da LogP 4.10 TPSA 89.8 | 1 viol. | ✓ Clean |
O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)N1…
|
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 |
|---|---|---|---|---|---|
| ZINC5188392 | 1.000 | 394.5 Da LogP 4.64 TPSA 101.4 | ✓ Ro5 | ✓ Clean |
O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1
|
| ZINC4583060 | 0.794 | 212.3 Da LogP 2.83 TPSA 50.7 | ✓ Ro5 | ✓ Clean |
CCCCNC(=O)ON=C1CCCCC1
|
| ZINC95408584 | 0.727 | 322.3 Da LogP 3.58 TPSA 41.1 | ✓ Ro5 | ✓ Clean |
FC(F)(F)c1ccnc(N2CCC(Nc3cccnc3)CC2)c1
|
| ZINC653720296 | 0.681 | 463.5 Da LogP 2.95 TPSA 89.8 | ✓ Ro5 | ✓ Clean |
O=C1[C@@H](c2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)N1…
|
| ZINC653730349 | 0.681 | 463.5 Da LogP 2.95 TPSA 89.8 | ✓ Ro5 | ✓ Clean |
O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)N1…
|
| ZINC2384425014 | 0.673 | 331.4 Da LogP 3.48 TPSA 59.2 | ✓ Ro5 | ✓ Clean |
CN(Cc1ccncc1)Cc1cccc(-c2ccc(C(N)=O)cc2)c1
|
| ZINC2382436658 | 0.656 | 425.4 Da LogP 3.96 TPSA 83.3 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(NC(=S)NC2CCN(c3cccc(C(F)(F)F)…
|
| ZINC5304931 | 0.619 | 379.4 Da LogP 3.65 TPSA 64.0 | ✓ Ro5 | ✓ Clean |
O=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
|
| ZINC32840817 | 0.609 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
|
| ZINC32840818 | 0.609 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C/CCCCCCCC(=O)OC(CO)CO
|
| ZINC5304929 | 0.603 | 365.4 Da LogP 3.26 TPSA 64.0 | ✓ Ro5 | ✓ Clean |
O=C(NC1CCCC1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
|
| ZINC95705063 | 0.589 | 392.3 Da LogP 4.81 TPSA 42.4 | ✓ Ro5 | ✓ Clean |
CN(Cc1cccc(-c2ccncc2)c1)C(=O)OC(C(F)(F)F)C(F)(F…
|
| ZINC377517697 | 0.586 | 327.4 Da LogP 2.99 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
O=C(NC1CCN(c2cccc(C(F)(F)F)n2)CC1)C1CCC1
|
| ZINC611411 | 0.585 | 221.3 Da LogP 2.31 TPSA 37.0 | ✓ Ro5 | ✓ Clean |
S=C(Nc1cccnc1)NC1CCCC1
|
| ZINC2298171800 | 0.583 | 327.4 Da LogP 2.99 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
O=C(NC1CCN(c2cc(C(F)(F)F)ccn2)CC1)C1CCC1
|
| ZINC58209092 | 0.579 | 313.3 Da LogP 2.60 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
O=C(NC1CCN(c2cccc(C(F)(F)F)n2)CC1)C1CC1
|
| ZINC267366329 | 0.576 | 313.3 Da LogP 2.60 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
O=C(NC1CCN(c2cc(C(F)(F)F)ccn2)CC1)C1CC1
|
| ZINC6715814 | 0.576 | 320.4 Da LogP 2.66 TPSA 32.8 | ✓ Ro5 | ✓ Clean |
C#CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
|
| ZINC111017 | 0.574 | 235.4 Da LogP 2.70 TPSA 37.0 | ✓ Ro5 | ✓ Clean |
S=C(Nc1cccnc1)NC1CCCCC1
|
| ZINC111884 | 0.574 | 263.4 Da LogP 3.48 TPSA 37.0 | ✓ Ro5 | ✓ Clean |
S=C(Nc1cccnc1)NC1CCCCCCC1
|
| ZINC13540278 | 0.571 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO
|
| ZINC13540280 | 0.571 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C\CCCCCCCC(=O)OC(CO)CO
|
| ZINC13540281 | 0.571 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C/CCCCCCCC(=O)OC(CO)CO
|
| ZINC13540283 | 0.571 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(CO)CO
|
| ZINC2087121001 | 0.569 | 329.4 Da LogP 3.23 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
CC(C)(C)C(=O)NC1CCN(c2cccc(C(F)(F)F)n2)CC1
|
| ZINC2087121008 | 0.567 | 329.4 Da LogP 3.23 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
CC(C)(C)C(=O)NC1CCN(c2cc(C(F)(F)F)ccn2)CC1
|
| ZINC1672846 | 0.563 | 218.0 Da LogP 2.60 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1I
|
| ZINC58291872 | 0.561 | 313.3 Da LogP 2.60 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
O=C(NC1CC1)C1CCN(c2cccc(C(F)(F)F)n2)CC1
|
| ZINC58291819 | 0.559 | 349.4 Da LogP 3.50 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
O=C(NC1CCN(c2cccc(C(F)(F)F)n2)CC1)c1ccccc1
|
| ZINC46943573 | 0.557 | 297.4 Da LogP 2.27 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
O=C(Nc1cccnc1)NC1CCN(c2ccccn2)CC1
|
| ZINC66436 | 0.550 | 326.5 Da LogP 3.03 TPSA 40.2 | ✓ Ro5 | ✓ Clean |
S=C(Nc1cccnc1)NC1CCN(Cc2ccccc2)CC1
|
| ZINC84613381 | 0.550 | 313.3 Da LogP 2.60 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
O=C(NC1CC1)C1CCN(c2cc(C(F)(F)F)ccn2)CC1
|
| ZINC267341274 | 0.548 | 349.4 Da LogP 3.96 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccccc1)C1CCN(c2cc(C(F)(F)F)ccn2)CC1
|
| ZINC13325894 | 0.542 | 317.4 Da LogP 3.09 TPSA 27.3 | ✓ Ro5 | ✓ Clean |
CN1CCC(NC(=S)Nc2cccc(C(F)(F)F)c2)CC1
|
| ZINC77192168 | 0.541 | 345.4 Da LogP 3.59 TPSA 54.5 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OC(=O)NC1CCN(c2cccc(C(F)(F)F)n2)CC1
|
| ZINC6760955 | 0.541 | 238.3 Da LogP 3.37 TPSA 50.7 | ✓ Ro5 | ✓ Clean |
O=C(NC1CCCCC1)ON=C1CCCCC1
|
| ZINC14537396 | 0.538 | 331.4 Da LogP 0.21 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
COc1ccc(C(=O)N2CCN3C(=O)[C@H](C)N(C)C(=O)[C@H]3…
|
| ZINC72307826 | 0.538 | 363.4 Da LogP 3.81 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1C(=O)NC1CCN(c2cc(C(F)(F)F)ccn2)CC1
|
| ZINC215099939 | 0.537 | 371.5 Da LogP 2.71 TPSA 54.3 | ✓ Ro5 | ✓ Clean |
CCn1c(C)ccc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c…
|
| ZINC215099978 | 0.537 | 371.5 Da LogP 2.71 TPSA 54.3 | ✓ Ro5 | ✓ Clean |
CCn1c(C)ccc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1…
|
| ZINC621379 | 0.536 | 297.3 Da LogP 3.91 TPSA 37.0 | ✓ Ro5 | ✓ Clean |
FC(F)(F)c1cccc(NC(=S)Nc2cccnc2)c1
|
| ZINC101608 | 0.533 | 296.4 Da LogP 2.66 TPSA 32.8 | ✓ Ro5 | ✓ Clean |
COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
|
| ZINC299770513 | 0.531 | 365.4 Da LogP 3.29 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(c2cnccn2)CC1
|
| ZINC58184909 | 0.531 | 353.3 Da LogP 3.40 TPSA 58.4 | ✓ Ro5 | ✓ Clean |
Cc1ccc(C(=O)NC2CCN(c3cccc(C(F)(F)F)n3)CC2)o1
|
| ZINC100104404 | 0.529 | 210.3 Da LogP 4.72 TPSA 24.7 | ✓ Ro5 | Alert |
Cc1ccccc1/N=N\c1ccccc1C
|
| ZINC1082443 | 0.529 | 210.3 Da LogP 4.09 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1CCc1ccccc1C
|
| ZINC138801667 | 0.529 | 206.3 Da LogP 3.70 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1C#Cc1ccccc1C
|
| ZINC1555422 | 0.529 | 212.3 Da LogP 3.74 TPSA 24.1 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1NNc1ccccc1C
|
| ZINC169816302 | 0.529 | 483.2 Da LogP 4.30 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1[Sn](c1ccccc1C)(c1ccccc1C)c1ccccc1C
|
| ZINC18068172 | 0.529 | 210.3 Da LogP 4.72 TPSA 24.7 | ✓ Ro5 | Alert |
Cc1ccccc1/N=N/c1ccccc1C
|
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.