Target
Sodium/bile acid cotransporter
Ligand
BDBM50576167
Substrate
n/a
Meas. Tech.
ChEMBL_2126560 (CHEMBL4835905)
IC50
25±n/a nM
Citation
 Liu, YZhang, LYan, HWang, ZSun, GSong, XZhou, ZPeng, BYan, LWu, QLi, WQi, 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:
BDBM50576167
Synonyms:
CHEMBL4862057
Type:
Small organic molecule
Emp. Form.:
C51H84N4O7S
Mol. Mass.:
897.3
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)n1cc(CC[C@@H](C)[C@@]2([H])CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]23C)nn1)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r|
Structure:
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