Reaction Details Report a problem with these data
Target
Sodium/bile acid cotransporter
Ligand
BDBM50150349
Substrate
n/a
Meas. Tech.
ChEMBL_311837 (CHEMBL834279)
IC50
4±n/a nM
Citation
 Tu, N; Link, JT; Sorensen, BK; Emery, M; Grynfarb, M; Goos-Nilsson, A; Nguyen, B Bile acid conjugates of a nonsteroidal glucocorticoid receptor modulator. Bioorg Med Chem Lett 14:4179-83 (2004) [PubMed]  Article 
Target
Name:
Sodium/bile acid cotransporter
Synonyms:
Bile acid transporter | NTCP_RAT | Ntcp | Slc10a1
Type:
PROTEIN
Mol. Mass.:
39307.44
Organism:
Rattus norvegicus
Description:
ChEMBL_311837
Residue:
362
Sequence:
MEVHNVSAPFNFSLPPGFGHRATDKALSIILVLMLLLIMLSLGCTMEFSKIKAHLWKPKGVIVALVAQFGIMPLAAFLLGKIFHLSNIEALAILICGCSPGGNLSNLFTLAMKGDMNLSIVMTTCSSFSALGMMPLLLYVYSKGIYDGDLKDKVPYKGIMISLVIVLIPCTIGIVLKSKRPHYVPYILKGGMIITFLLSVAVTALSVINVGNSIMFVMTPHLLATSSLMPFSGFLMGYILSALFQLNPSCRRTISMETGFQNIQLCSTILNVTFPPEVIGPLFFFPLLYMIFQLAEGLLIIIIFRCYEKIKPPKDQTKITYKAAATEDATPAALEKGTHNGNIPPLQPGPSPNGLNSGQMAN
  
Inhibitor
Name:
BDBM50150349
Synonyms:
CHEMBL266407 | Methanesulfonamide derivative
Type:
Small organic molecule
Emp. Form.:
C57H75N3O9S
Mol. Mass.:
978.285
SMILES:
C[C@@H](CCC(O)=O)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C)OCCNC(=O)CCc1ccc(Oc2ccc(CN(Cc3ccccc3)c3cccc(NS(C)(=O)=O)c3C)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: