Reaction Details Report a problem with these data
Target
Ileal sodium/bile acid cotransporter
Ligand
BDBM50134416
Substrate
n/a
Meas. Tech.
ChEBML_35875
IC50
1.6±n/a nM
Citation
 Tollefson, MB; Kolodziej, SA; Fletcher, TR; Vernier, WF; Beaudry, JA; Keller, BT; Reitz, DB A novel class of apical sodium co-dependent bile acid transporter inhibitors: the 1,2-benzothiazepines. Bioorg Med Chem Lett 13:3727-30 (2003) [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 bile acid transporter | Ileal bile acid transporter/bile acid cotransporter | Ileal sodium-dependent bile acid transporter | NTCP2 | NTCP2_HUMAN | SLC10A2
Type:
Enzyme
Mol. Mass.:
37714.89
Organism:
Homo sapiens (Human)
Description:
SLC10A2
Residue:
348
Sequence:
MNDPNSCVDNATVCSGASCVVPESNFNNILSVVLSTVLTILLALVMFSMGCNVEIKKFLGHIKRPWGICVGFLCQFGIMPLTGFILSVAFDILPLQAVVVLIIGCCPGGTASNILAYWVDGDMDLSVSMTTCSTLLALGMMPLCLLIYTKMWVDSGSIVIPYDNIGTSLVSLVVPVSIGMFVNHKWPQKAKIILKIGSIAGAILIVLIAVVGGILYQSAWIIAPKLWIIGTIFPVAGYSLGFLLARIAGLPWYRCRTVAFETGMQNTQLCSTIVQLSFTPEELNVVFTFPLIYSIFQLAFAAIFLGFYVAYKKCHGKNKAEIPESKENGTEPESSFYKANGGFQPDEK
  
Inhibitor
Name:
BDBM50134416
Synonyms:
CHEMBL332974 | Trifluoro-acetate{4-[3-((8R,9R)-7,7-dibutyl-2-dimethylamino-8-hydroxy-5,5-dioxo-6,7,8,9-tetrahydro-5H-5lambda*6*-thia-6-aza-benzocyclohepten-9-yl)-phenylcarbamoyl]-butyl}-triethyl-ammonium;
Type:
Small organic molecule
Emp. Form.:
C36H59N4O4S
Mol. Mass.:
643.943
SMILES:
CCCCC1(CCCC)NS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NC(=O)CCCC[N+](CC)(CC)CC)c1)N(C)C
Structure:
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