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 |
---|---|---|---|---|
Q59H18 | Download | Predicted | Q59H18_F1_nD3 Q59H18_F1_nD1 Q59H18_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Repetitive alpha hairpins |
4YFF | Predicted | e4yffD1 e4yffA1 e4yffB1 e4yffC1 | ||
4YFI | Predicted | e4yfiB1 e4yfiD1 e4yfiA1 e4yfiC1 | ||
6B5J | Predicted | e6b5jB1 e6b5jC1 e6b5jD1 e6b5jA1 |