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 |
---|---|---|---|---|
P37173 | Download | Predicted | P37173_F1_nD1 P37173_F1_nD3 | Snake toxin-like Protein kinase/SAICAR synthase/ATP-grasp |
1KTZ | Predicted | e1ktzB1 | ||
1M9Z | Predicted | e1m9zA1 | ||
1PLO | Predicted | e1ploA1 | ||
2PJY | Predicted | e2pjyB1 | ||
3KFD | Predicted | e3kfdE1 e3kfdF1 e3kfdH1 e3kfdG1 | ||
4P7U | Predicted | e4p7uA1 | ||
4XJJ | Predicted | e4xjjA1 | ||
5E8V | Predicted | e5e8vA1 | ||
5E8Y | Predicted | e5e8yA1 | ||
5E91 | Predicted | e5e91A1 | ||
5E92 | Predicted | e5e92A1 | ||
5QIN | Predicted | e5qinA1 | ||
5TX4 | Predicted | e5tx4A1 | ||
5TY4 | Predicted | e5ty4A1 |