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Target
Ileal sodium/bile acid cotransporter
Ligand
BDBM50172641
Substrate
n/a
Meas. Tech.
ChEMBL_321554 (CHEMBL881968)
IC50
13±n/a nM
Citation
 Tremont, SJ; Lee, LF; Huang, HC; Keller, BT; Banerjee, SC; Both, SR; Carpenter, AJ; Wang, CC; Garland, DJ; Huang, W; Jones, C; Koeller, KJ; Kolodziej, SA; Li, J; Manning, RE; Mahoney, MW; Miller, RE; Mischke, DA; Rath, NP; Fletcher, T; Reinhard, EJ; Tollefson, MB; Vernier, WF; Wagner, GM; Rapp, SR; Beaudry, J; Glenn, K; Regina, K; Schuh, JR; Smith, ME; Trivedi, JS; Reitz, DB Discovery of potent, nonsystemic apical sodium-codependent bile acid transporter inhibitors (Part 1). J Med Chem 48:5837-52 (2005) [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:
BDBM50172641
Synonyms:
(4R,5R)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1lambda*6*-benzo[b]thiepin-4-ol | CHEMBL197152
Type:
Small organic molecule
Emp. Form.:
C26H37NO3S
Mol. Mass.:
443.642
SMILES:
CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccccc1)N(C)C
Structure:
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