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 |
---|---|---|---|---|
Q9BVS4 | Download | Predicted | Q9BVS4_F1_nD2 Q9BVS4_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp HTH |
6FDM | Predicted | e6fdmA2 e6fdmB1 e6fdmC1 e6fdmD1 e6fdmA1 e6fdmB2 e6fdmC2 e6fdmD2 | ||
6FDN | Predicted | e6fdnA1 e6fdnB2 e6fdnA2 e6fdnB1 | ||
6FDO | Predicted | e6fdoA2 e6fdoB2 e6fdoA1 e6fdoB1 | ||
6HK6 | Predicted | e6hk6F2 e6hk6G2 e6hk6A2 e6hk6B1 e6hk6C1 e6hk6D2 e6hk6E1 e6hk6H2 e6hk6I1 e6hk6J2 e6hk6F1 e6hk6G1 e6hk6A1 e6hk6B2 e6hk6C2 e6hk6D1 e6hk6E2 e6hk6H1 e6hk6I2 e6hk6J1 |