Reaction Details Report a problem with these data
Target
Sodium/bile acid cotransporter
Ligand
BDBM400149
Substrate
n/a
Meas. Tech.
HBV DNA Quantification Assay
EC50
16.5±n/a nM
Citation
 Du, J; Kaplan, JA; Kirschberg, TA; Kobayashi, T; Lazerwith, SE; Lee, RA; Medley, JW; Mitchell, ML; Morganelli, PA; Pyun, H; Shevick, SL; Squires, NH; Watkins, WJ SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF US Patent  US20230270719 Publication Date 8/31/2023 
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:
BDBM400149
Synonyms:
(R)-N-(3,4-difluorophenyl)-6-methyl-7-(2-oxo-2-((1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)amino)acetyl)-2,3-dihydro-1H-pyrrolizine-5-carboxamide | US10328053, Compound 133 | US10874640, Compound 133 | US20230270719, Compound 133
Type:
Small organic molecule
Emp. Form.:
C21H20F5N3O4
Mol. Mass.:
473.3932
SMILES:
Cc1c(C(=O)C(=O)NC(C)(CO)C(F)(F)F)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1
Structure:
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