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 |
---|---|---|---|---|
O43293 | Download | Predicted | O43293_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
1YRP | Predicted | e1yrpA1 e1yrpB1 | ||
2J90 | Predicted | e2j90A1 e2j90B1 | ||
3BHY | Predicted | e3bhyA1 | ||
3BQR | Predicted | e3bqrA1 | ||
5A6N | Predicted | e5a6nA1 e5a6nB1 | ||
5A6O | Predicted | e5a6oB1 e5a6oA1 | ||
5VJA | Predicted | e5vjaB1 e5vjaA1 e5vjaC1 e5vjaD1 |