DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Bile acid receptor
Ligand Name
(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KQOKFDLIIQSPMA-SANMLTNESA-N
SMILES
c1ccc(c(c1)C#N)NC(=O)C(C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 5Q0S
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse5q0sA1e5q0sC1
ECOD domains from experimental PDB structures interacting with ligand 9LJ
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q96RI1n/a9LJ5q0se5q0sA1A:247-476
Q96RI1n/a9LJ5q0se5q0sC1C:247-476