Reaction Details Report a problem with these data
Target
Sodium/bile acid cotransporter
Ligand
BDBM400125
Substrate
n/a
Meas. Tech.
HBV DNA Quantification Assay
EC50
96.4±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:
BDBM400125
Synonyms:
N-(3-chloro-4-fluorophenyl)-7-(2-((1,3-dihydroxy-2-methylpropan-2-yl)amino)-2-oxoacetyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-5-carboxamide | US10328053, Compound 104 | US10874640, Compound 104 | US20230270719, Compound 104
Type:
Small organic molecule
Emp. Form.:
C21H23ClFN3O5
Mol. Mass.:
451.876
SMILES:
Cc1c(C(=O)C(=O)NC(C)(CO)CO)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1
Structure:
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