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 |
---|---|---|---|---|
P11802 | Download | Predicted | P11802_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
2W96 | Predicted | e2w96B1 | ||
2W99 | Predicted | e2w99B1 | ||
2W9F | Predicted | e2w9fB1 | ||
2W9Z | Predicted | e2w9zB1 | ||
3G33 | Predicted | e3g33A1 e3g33C1 | ||
5FWK | Predicted | e5fwkK1 | ||
5FWL | Predicted | e5fwlK1 | ||
5FWM | Predicted | e5fwmK1 | ||
5FWP | Predicted | e5fwpK1 | ||
6P8E | Predicted | e6p8eB1 | ||
6P8F | Predicted | e6p8fB1 | ||
6P8G | Predicted | e6p8gB1 | ||
6P8H | Predicted | e6p8hB1 |