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 |
---|---|---|---|---|
O14920 | Download | Predicted | O14920_F1_nD1 O14920_F1_nD3 | Protein kinase/SAICAR synthase/ATP-grasp BAR/IMD domain-like |
4E3C | Predicted | e4e3cA2 e4e3cB3 e4e3cC2 e4e3cD2 e4e3cE2 e4e3cF2 e4e3cB2 e4e3cA3 e4e3cC3 e4e3cD3 e4e3cE3 e4e3cF3 e4e3cB1 e4e3cA1 e4e3cC1 e4e3cD1 e4e3cE1 e4e3cF1 | ||
4KIK | Predicted | e4kikA6 e4kikB2 e4kikB3 e4kikA4 e4kikB1 e4kikA5 |