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 |
---|---|---|---|---|
O15075 | Download | Predicted | O15075_F1_nD3 O15075_F1_nD2 O15075_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp beta-Grasp beta-Grasp |
1MFW | Predicted | e1mfwA1 | ||
1MG4 | Predicted | e1mg4A1 | ||
1UF0 | Predicted | e1uf0A1 | ||
5JZJ | Predicted | e5jzjA1 e5jzjB1 | ||
5JZN | Predicted | e5jznA1 e5jznB1 |