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 |
---|---|---|---|---|
O75116 | Download | Predicted | O75116_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
4L6Q | Predicted | e4l6qA1 e4l6qB1 | ||
4WOT | Predicted | e4wotA1 e4wotB1 e4wotC1 e4wotD1 | ||
5U7Q | Predicted | e5u7qA1 e5u7qC1 e5u7qD1 e5u7qB1 | ||
5U7R | Predicted | e5u7rA1 e5u7rB1 e5u7rC1 e5u7rD1 | ||
6ED6 | Predicted | e6ed6A1 e6ed6B1 |