PDB ligand accession: 2RC
DrugBank: DB12010
InChI Key: GKDRMWXFWHEQQT-UHFFFAOYSA-N
SMILES: CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
O14936 | Download | Predicted | O14936_F1_nD2 O14936_F1_nD1 | L27 domain Protein kinase/SAICAR synthase/ATP-grasp |
1KGD | Predicted | e1kgdA1 | ||
1KWA | Predicted | e1kwaA1 e1kwaB1 | ||
1ZL8 | Predicted | e1zl8B1 | ||
3C0G | Predicted | e3c0gA1 e3c0gB1 | ||
3C0H | Predicted | e3c0hA1 e3c0hB1 | ||
3C0I | Predicted | e3c0iA1 | ||
3MFR | Predicted | e3mfrA1 | ||
3MFS | Predicted | e3mfsA1 | ||
3MFT | Predicted | e3mftA1 | ||
3MFU | Predicted | e3mfuA1 | ||
3TAC | Predicted | e3tacA1 |