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Target
Sodium/bile acid cotransporter
Ligand
BDBM50576165
Substrate
n/a
Meas. Tech.
ChEMBL_2126547 (CHEMBL4835892)
IC50
58±n/a nM
Citation
 Liu, Y; Zhang, L; Yan, H; Wang, Z; Sun, G; Song, X; Zhou, Z; Peng, B; Yan, L; Wu, Q; Li, W; Qi, X Design of Dimeric Bile Acid Derivatives as Potent and Selective Human NTCP Inhibitors. J Med Chem 64:5973-6007 (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:
BDBM50576165
Synonyms:
CHEMBL4875540
Type:
Small organic molecule
Emp. Form.:
C57H96N4O12S2
Mol. Mass.:
1093.522
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NC(=O)CCCC(=O)N[C@@H]1CC[C@@]2(C)[C@]([H])(C[C@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)CC[C@]23[H])C1)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r|
Structure:
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