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 |
---|---|---|---|---|
Q13164 | Download | Predicted | Q13164_F1_nD2 Q13164_F1_nD1 | HTH Protein kinase/SAICAR synthase/ATP-grasp |
4B99 | Predicted | e4b99A1 | ||
4IC7 | Predicted | e4ic7A1 e4ic7D2 | ||
4IC8 | Predicted | e4ic8A1 e4ic8B2 | ||
4ZSG | Predicted | e4zsgA1 | ||
4ZSJ | Predicted | e4zsjA1 | ||
4ZSL | Predicted | e4zslA1 | ||
5BYY | Predicted | e5byyA1 | ||
5BYZ | Predicted | e5byzA1 | ||
5O7I | Predicted | e5o7iA1 | ||
6HKM | Predicted | e6hkmA1 | ||
6HKN | Predicted | e6hknA1 |