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 |
---|---|---|---|---|
P54756 | Download | Predicted | P54756_F1_nD1 P54756_F1_nD2 P54756_F1_nD6 P54756_F1_nD7 | jelly-roll EGF-like Protein kinase/SAICAR synthase/ATP-grasp HhH/H2TH |
2R2P | Predicted | e2r2pA1 | ||
4ET7 | Predicted | e4et7A1 |