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 |
---|---|---|---|---|
P16591 | Download | Predicted | P16591_F1_nD2 P16591_F1_nD3 P16591_F1_nD4 | Long alpha-hairpin SH2 Protein kinase/SAICAR synthase/ATP-grasp |
2KK6 | Predicted | e2kk6A1 | ||
6KC4 | Predicted | e6kc4A1 e6kc4C1 e6kc4E1 e6kc4G1 e6kc4I1 e6kc4K1 |