Reaction Details  Report a problem with these data
Target
Ileal sodium/bile acid cotransporter
Ligand
BDBM50459099
Substrate
n/a
Meas. Tech.
ChEMBL_1765644 (CHEMBL4200891)
IC50
<25119±n/a nM
Citation
 Chen, T; Reich, NW; Bell, N; Finn, PD; Rodriguez, D; Kohler, J; Kozuka, K; He, L; Spencer, AG; Charmot, D; Navre, M; Carreras, CW; Koo-McCoy, S; Tabora, J; Caldwell, JS; Jacobs, JW; Lewis, JG Design of Gut-Restricted Thiazolidine Agonists of G Protein-Coupled Bile Acid Receptor 1 (GPBAR1, TGR5). J Med Chem 61:7589-7613 (2018) [PubMed]  Article
Target
Name:
Ileal sodium/bile acid cotransporter
Synonyms:
ASBT | Apical sodium-dependent bile acid transporter | IBAT | ISBT | Ileal Na(+)/bile acid cotransporter | Ileal sodium-dependent bile acid transporter | NTCP2_MOUSE | Na(+)-dependent ileal bile acid transporter | Ntcp2 | Slc10a2 | Sodium/taurocholate cotransporting polypeptide, ileal | Solute carrier family 10 member 2
Type:
PROTEIN
Mol. Mass.:
38130.25
Organism:
Mus musculus
Description:
ChEMBL_963356
Residue:
348
Sequence:
MDNSSVCPPNATVCEGDSCVVPESNFNAILNTVMSTVLTILLAMVMFSMGCNVEVHKFLGHIKRPWGIFVGFLCQFGIMPLTGFILSVASGILPVQAVVVLIMGCCPGGTGSNILAYWIDGDMDLSVSMTTCSTLLALGMMPLCLFVYTKMWVDSGTIVIPYDSIGISLVALVIPVSFGMFVNHKWPQKAKIILKIGSITGVILIVLIAVIGGILYQSAWIIEPKLWIIGTIFPIAGYSLGFFLARLAGQPWYRCRTVALETGMQNTQLCSTIVQLSFSPEDLNLVFTFPLIYTVFQLVFAAVILGIYVTYRKCYGKNDAEFLEKTDNEMDSRPSFDETNKGFQPDEK
  
Inhibitor
Name:
BDBM50459099
Synonyms:
CHEMBL4202981
Type:
Small organic molecule
Emp. Form.:
C36H42Cl2N4O8S
Mol. Mass.:
761.712
SMILES:
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)cc1 |r|
Structure:
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