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 |
---|---|---|---|---|
Q16288 | Download | Predicted | Q16288_F1_nD4 | Protein kinase/SAICAR synthase/ATP-grasp |
1WWC | Predicted | e1wwcA1 | ||
3V5Q | Predicted | e3v5qA1 e3v5qB2 | ||
4YMJ | Predicted | e4ymjA1 e4ymjB1 | ||
6KZC | Predicted | e6kzcA1 | ||
6KZD | Predicted | e6kzdA1 |