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 |
---|---|---|---|---|
Q04912 | Download | Predicted | Q04912_F1_nD5 Q04912_F1_nD7 | Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp |
3PLS | Predicted | e3plsA1 | ||
4FWW | Predicted | e4fwwA1 e4fwwA2 | ||
4QT8 | Predicted | e4qt8B3 e4qt8A3 e4qt8B1 e4qt8A2 e4qt8B2 e4qt8A1 |