PDB ligand accession: CR9
DrugBank: DB03555
PubChem:
ChEMBL:
InChI Key: CMCDWLMEDRBWIR-GTNSWQLSSA-N
SMILES: CC1CCCCC1Oc2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzimidazoles
- Subclass: Phenylbenzimidazoles
- Class: Benzimidazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1O5D | Download | Experimental | e1o5dH1 | cradle loop barrel | LigPlot |