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 |
---|---|---|---|---|
Q99640 | Download | Predicted | Q99640_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
3P1A | Predicted | e3p1aA1 | ||
5VCV | Predicted | e5vcvA1 | ||
5VCW | Predicted | e5vcwA1 e5vcwB1 | ||
5VCX | Predicted | e5vcxA1 | ||
5VCY | Predicted | e5vcyA1 | ||
5VCZ | Predicted | e5vczA1 | ||
5VD0 | Predicted | e5vd0A1 | ||
5VD1 | Predicted | e5vd1A1 | ||
5VD3 | Predicted | e5vd3A1 |