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Target
Sodium/bile acid cotransporter
Ligand
BDBM50556959
Substrate
n/a
Meas. Tech.
ChEMBL_2057737 (CHEMBL4712738)
IC50
66±n/a nM
Citation
 Liu, Y; Ruan, H; Li, Y; Sun, G; Liu, X; He, W; Mao, F; He, M; Yan, L; Zhong, G; Yan, H; Li, W; Zhang, Z Potent and Specific Inhibition of NTCP-Mediated HBV/HDV Infection and Substrate Transporting by a Novel, Oral-Available Cyclosporine A Analogue. J Med Chem 64:543-565 (2021) [PubMed]  Article 
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:
BDBM50556959
Synonyms:
CHEMBL4781848
Type:
Small organic molecule
Emp. Form.:
C73H117N11O13S
Mol. Mass.:
1388.841
SMILES:
[H][C@]1(O[C@H](C[C@H]1C)Sc1cccc(OCc2ccccc2)c1)[C@]1([H])N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C |r|
Structure:
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