Reaction Details Report a problem with these data
Target
Sodium/bile acid cotransporter
Ligand
BDBM400039
Substrate
n/a
Meas. Tech.
HBV DNA Quantification Assay
EC50
33.2±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:
BDBM400039
Synonyms:
N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-(methylcarbamoyl)cyclobutyl)amino)-2-oxoacetyl)-3,6-dimethyl-2,3-dihydro-1H-pyrrolizine-5-carboxamide (racemic) | US10328053, Compound 18 | US10874640, Compound 18 | US20230270719, Compound 18
Type:
Small organic molecule
Emp. Form.:
C24H24ClF3N4O4
Mol. Mass.:
524.92
SMILES:
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2C(C)CCc12
Structure:
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