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Target
Sodium/bile acid cotransporter
Ligand
BDBM50576166
Substrate
n/a
Meas. Tech.
ChEMBL_2126542 (CHEMBL4835887)
IC50
14±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:
BDBM50576166
Synonyms:
CHEMBL4861143
Type:
Small organic molecule
Emp. Form.:
C55H90N4O6
Mol. Mass.:
903.3263
SMILES:
[H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)NC(=O)CCCC(=O)N[C@@H]1CC[C@@]3(C)[C@@]([H])(C1)C[C@H](O)[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCNC(=O)CC[C@H]2C)[C@@]4(C)CC[C@]31[H] |r|
Structure:
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