PDB ligand accession: 1N1
DrugBank: DB01254
InChI Key: ZBNZXTGUTAYRHI-UHFFFAOYSA-N
SMILES: Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P06241 | Download | Predicted | P06241_F1_nD3 | Protein kinase/SAICAR synthase/ATP-grasp |
1A0N | Predicted | e1a0nB1 | ||
1AOT | Predicted | e1aotF1 | ||
1AOU | Predicted | e1aouF1 | ||
1AVZ | Predicted | e1avzC1 | ||
1AZG | Predicted | e1azgB1 | ||
1EFN | Predicted | e1efnA1 e1efnC1 | ||
1FYN | Predicted | e1fynA1 | ||
1G83 | Predicted | e1g83A1 e1g83B1 e1g83A2 e1g83B2 | ||
1M27 | Predicted | e1m27C1 | ||
1NYF | Predicted | e1nyfA1 | ||
1NYG | Predicted | e1nygA1 | ||
1SHF | Predicted | e1shfB1 e1shfA1 | ||
1ZBJ | Predicted | e1zbjA1 | ||
2DQ7 | Predicted | e2dq7X1 | ||
2MQI | Predicted | e2mqiA1 | ||
2MRJ | Predicted | e2mrjA1 | ||
2MRK | Predicted | e2mrkA1 | ||
3H0F | Predicted | e3h0fA1 | ||
3H0H | Predicted | e3h0hA1 | ||
3H0I | Predicted | e3h0iA1 e3h0iB1 | ||
3UA6 | Predicted | e3ua6B1 e3ua6A1 | ||
3UA7 | Predicted | e3ua7D1 e3ua7A1 e3ua7C1 e3ua7B1 | ||
4D8D | Predicted | e4d8dA1 e4d8dC1 | ||
4EIK | Predicted | e4eikA1 | ||
4U17 | Predicted | e4u17A1 e4u17B1 e4u17C1 | ||
4U1P | Predicted | e4u1pA1 | ||
4ZNX | Predicted | e4znxA1 e4znxB1 e4znxC1 e4znxD1 | ||
5ZAU | Predicted | e5zauA1 | ||
6EDF | Predicted | e6edfA1 | ||
6IPY | Predicted | e6ipyA1 | ||
6IPZ | Predicted | e6ipzZ1 |