DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Bile acid receptor
Ligand Name
[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SNWNZTLWPJKTEO-OFIQSVQDSA-N
SMILES
c1cc(c(cc1Cl)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 8HD3
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 atomse8hd3A1e8hd3B1
ECOD domains from experimental PDB structures interacting with ligand XAW
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q96RI1n/aXAW8hd3e8hd3A1A:258-505
Q96RI1n/aXAW8hd3e8hd3B1B:258-504