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 |
---|---|---|---|---|
Q16620 | Download | Predicted | Q16620_F1_nD3 Q16620_F1_nD5 Q16620_F1_nD2 | Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich |
1HCF | Predicted | e1hcfX1 e1hcfY1 | ||
1WWB | Predicted | e1wwbX1 | ||
4ASZ | Predicted | e4aszA1 | ||
4AT3 | Predicted | e4at3A1 | ||
4AT4 | Predicted | e4at4A1 | ||
4AT5 | Predicted | e4at5A1 | ||
5MO9 | Predicted | e5mo9X1 |