Reaction Details Report a problem with these data
Target
Sodium/bile acid cotransporter
Ligand
BDBM50601891
Substrate
n/a
Meas. Tech.
ChEMBL_2238516 (CHEMBL5152412)
IC50
6500±n/a nM
Citation
 Chen, S; Zhang, L; Chen, Y; Fu, L Inhibiting Sodium Taurocholate Cotransporting Polypeptide in HBV-Related Diseases: From Biological Function to Therapeutic Potential. J Med Chem 65:12546-12561 (2022) [PubMed] 
Target
Name:
Sodium/bile acid cotransporter
Synonyms:
Bile acid transporter | NTCP | NTCP_HUMAN | SLC10A1
Type:
PROTEIN
Mol. Mass.:
38131.81
Organism:
Homo sapiens (Human)
Description:
ChEMBL_838517
Residue:
349
Sequence:
MEAHNASAPFNFTLPPNFGKRPTDLALSVILVFMLFFIMLSLGCTMEFSKIKAHLWKPKGLAIALVAQYGIMPLTAFVLGKVFRLKNIEALAILVCGCSPGGNLSNVFSLAMKGDMNLSIVMTTCSTFCALGMMPLLLYIYSRGIYDGDLKDKVPYKGIVISLVLVLIPCTIGIVLKSKRPQYMRYVIKGGMIIILLCSVAVTVLSAINVGKSIMFAMTPLLIATSSLMPFIGFLLGYVLSALFCLNGRCRRTVSMETGCQNVQLCSTILNVAFPPEVIGPLFFFPLLYMIFQLGEGLLLIAIFWCYEKFKTPKDKTKMIYTAATTEETIPGALGNGTYKGEDCSPCTA
  
Inhibitor
Name:
BDBM50601891
Synonyms:
CHEMBL5184124
Type:
Small organic molecule
Emp. Form.:
C44H40N6O2
Mol. Mass.:
684.8274
SMILES:
O[C@@H]([C@H]([C@H](Nc1ccccn1)c1ccccc1)c1ccccn1)c1ccc(cc1)[C@@H](O)[C@H]([C@H](Nc1ccccn1)c1ccccc1)c1ccccn1 |r|
Structure:
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