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 |
|---|---|---|---|---|
| P19784 | Download | Predicted | P19784_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
| 3E3B | Predicted | e3e3bX1 | ||
| 3OFM | Predicted | e3ofmA1 | ||
| 5M4U | Predicted | e5m4uA1 | ||
| 5M56 | Predicted | e5m56A1 e5m56B1 | ||
| 5OOI | Predicted | e5ooiA1 e5ooiB1 | ||
| 5Y9M | Predicted | e5y9mX1 e5y9mA1 | ||
| 5YF9 | Predicted | e5yf9X1 e5yf9B1 | ||
| 5YWM | Predicted | e5ywmX1 | ||
| 6HMB | Predicted | e6hmbA1 | ||
| 6HMC | Predicted | e6hmcA1 | ||
| 6HMD | Predicted | e6hmdA1 | ||
| 6HMQ | Predicted | e6hmqA1 | ||
| 6QY9 | Predicted | e6qy9A1 |