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 |
---|---|---|---|---|
O95747 | Download | Predicted | O95747_F1_nD1 O95747_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp FKBP-like |
2V3S | Predicted | e2v3sA1 e2v3sB1 | ||
2VWI | Predicted | e2vwiC1 e2vwiD1 e2vwiB1 e2vwiA1 | ||
3DAK | Predicted | e3dakA1 e3dakB1 e3dakC1 e3dakD1 |