Reaction Details Report a problem with these data
Target
Sodium/bile acid cotransporter
Ligand
BDBM400053
Substrate
n/a
Meas. Tech.
HBV DNA Quantification Assay
EC50
3.20±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 US10328053 Publication Date 6/25/2019
More Info.:
Target
Name:
Sodium/bile acid cotransporter
Synonyms:
Bile acid transporter | NTCP | NTCP_HUMAN | SLC10A1
Type:
PROTEIN
Mol. Mass.:
38131.81
Organism:
Human
Description:
ChEMBL_838517
Residue:
349
Sequence:
MEAHNASAPFNFTLPPNFGKRPTDLALSVILVFMLFFIMLSLGCTMEFSKIKAHLWKPKGLAIALVAQYGIMPLTAFVLGKVFRLKNIEALAILVCGCSPGGNLSNVFSLAMKGDMNLSIVMTTCSTFCALGMMPLLLYIYSRGIYDGDLKDKVPYKGIVISLVLVLIPCTIGIVLKSKRPQYMRYVIKGGMIIILLCSVAVTVLSAINVGKSIMFAMTPLLIATSSLMPFIGFLLGYVLSALFCLNGRCRRTVSMETGCQNVQLCSTILNVAFPPEVIGPLFFFPLLYMIFQLGEGLLLIAIFWCYEKFKTPKDKTKMIYTAATTEETIPGALGNGTYKGEDCSPCTA
Inhibitor
Name:
BDBM400053
Synonyms:
7-(2-((3,3-difluoro-1-(1H-1,2,3-triazol-4-yl)cyclobutyl)amino)-2-oxoacetyl)-N-(3,4-difluorophenyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-5-carboxamide | US10328053, Compound 31 | US10874640, Compound 31 | US20230270719, Compound 31
Type:
Small organic molecule
Emp. Form.:
C23H20F4N6O3
Mol. Mass.:
504.4369
SMILES:
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1