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 |
---|---|---|---|---|
Q13882 | Download | Predicted | Q13882_F1_nD2 Q13882_F1_nD3 Q13882_F1_nD1 | SH2 Protein kinase/SAICAR synthase/ATP-grasp SH3 |
1RJA | Predicted | e1rjaA1 | ||
2KGT | Predicted | e2kgtA1 | ||
5D7V | Predicted | e5d7vA1 e5d7vB1 e5d7vC1 e5d7vD1 | ||
5DA3 | Predicted | e5da3A1 | ||
5H2U | Predicted | e5h2uA1 e5h2uC1 e5h2uB1 e5h2uD1 | ||
6CZ2 | Predicted | e6cz2A1 | ||
6CZ3 | Predicted | e6cz3A1 | ||
6CZ4 | Predicted | e6cz4A1 |