Reaction Details Report a problem with these data
Target
Sodium/bile acid cotransporter
Ligand
BDBM400080
Substrate
n/a
Meas. Tech.
HBV DNA Quantification Assay
EC50
27.3±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
More Info.:
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:
BDBM400080
Synonyms:
(1aR,6aR)-5-(2-((1-(1,3,4-thiadiazol-2-yl)cyclopropyl)amino)-2-oxoacetyl)-N-(3-cyano-4-fluorophenyl)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[b]pyrrolizine-3-carboxamide | US10328053, Compound 58 | US10874640, Compound 58 | US20230270719, Compound 58
Type:
Small organic molecule
Emp. Form.:
C24H19FN6O3S
Mol. Mass.:
490.509
SMILES:
Cc1c(C(=O)C(=O)NC2(CC2)c2nncs2)c2C[C@H]3C[C@H]3n2c1C(=O)Nc1ccc(F)c(c1)C#N |r|