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 |
---|---|---|---|---|
Q15375 | Download | Predicted | Q15375_F1_nD6 Q15375_F1_nD2 Q15375_F1_nD7 Q15375_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp EGF-like HhH/H2TH jelly-roll |
2REI | Predicted | e2reiA1 | ||
3DKO | Predicted | e3dkoA1 | ||
3H8M | Predicted | e3h8mA1 e3h8mB1 | ||
3NRU | Predicted | e3nruA1 e3nruB1 e3nruC1 e3nruD1 e3nruE1 e3nruF1 e3nruG1 e3nruH1 e3nruI1 e3nruJ1 e3nruK1 e3nruL1 |