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 |
---|---|---|---|---|
O94804 | Download | Predicted | O94804_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
2J7T | Predicted | e2j7tA1 | ||
4AOT | Predicted | e4aotA1 e4aotB2 | ||
4BC6 | Predicted | e4bc6A1 | ||
4EQU | Predicted | e4equB1 e4equA2 | ||
4USD | Predicted | e4usdA1 e4usdB1 | ||
4USE | Predicted | e4useA1 e4useB1 | ||
5AJQ | Predicted | e5ajqA1 e5ajqB1 | ||
5OWQ | Predicted | e5owqA1 e5owqB1 | ||
5OWR | Predicted | e5owrA1 | ||
6EIM | Predicted | e6eimA1 e6eimB1 | ||
6GTT | Predicted | e6gttA1 | ||
6HXF | Predicted | e6hxfB1 e6hxfA1 e6hxfC1 e6hxfD1 | ||
6I2Y | Predicted | e6i2yA1 e6i2yB1 |