Reaction Details Report a problem with these data
Target
Sodium/bile acid cotransporter
Ligand
BDBM400085
Substrate
n/a
Meas. Tech.
HBV DNA Quantification Assay
EC50
71.1±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 
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:
BDBM400085
Synonyms:
(1aR,6aR)-5-(2-((1-(1H-1,2,3-triazol-4-yl)cyclopropyl)amino)-2-oxoacetyl)-N-(2-(difluoromethyl)-3-fluoropyridin-4-yl)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[b]pyrrolizine-3-carboxamide | US10328053, Compound 63 | US10874640, Compound 63 | US20230270719, Compound 63
Type:
Small organic molecule
Emp. Form.:
C23H20F3N7O3
Mol. Mass.:
499.4452
SMILES:
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2C[C@H]3C[C@H]3n2c1C(=O)Nc1ccnc(C(F)F)c1F |r|
Structure:
Search PDB for entries with ligand similarity: