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Attributes

UniProt ID
Protein Name
Bile acid receptor
Ligand Name
4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JNIQPWWGQWIPLQ-UHFFFAOYSA-N
SMILES
CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4QE8
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Color Legend
Unassigned regionsLigand / hetero atomse4qe8A1e4qe8B1
ECOD domains from experimental PDB structures interacting with ligand 31D
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q96RI1n/a31D4qe8e4qe8A1A:243-472
Q96RI1n/a31D4qe8e4qe8B1B:243-472