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 |
---|---|---|---|---|
O14976 | Download | Predicted | O14976_F1_nD1 O14976_F1_nD2 O14976_F1_nD4 | Protein kinase/SAICAR synthase/ATP-grasp Flavodoxin-like Chaperone J-domain |
4C57 | Predicted | e4c57A1 e4c57B1 | ||
4C58 | Predicted | e4c58A1 | ||
4C59 | Predicted | e4c59A1 | ||
4O38 | Predicted | e4o38A1 e4o38B2 | ||
4Y8D | Predicted | e4y8dA1 e4y8dB1 | ||
5Y7Z | Predicted | e5y7zA1 e5y7zB1 | ||
5Y80 | Predicted | e5y80A1 |