Reaction Details Report a problem with these data
Target
Ileal sodium/bile acid cotransporter
Ligand
BDBM77033
Substrate
n/a
Meas. Tech.
Pharmaceutical Effect Mean Inhibitory Effect
IC50
0.350±n/a nM
Citation
 Gillberg, P; Graffner, H; Starke, I IBAT inhibitors for the treatment of liver diseases US Patent  US10093697 Publication Date 10/9/2018 
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:
BDBM77033
Synonyms:
US10093697, 4. | US10487111, Example 4. | US9694018, 4
Type:
Small organic molecule
Emp. Form.:
C37H48N4O7S3
Mol. Mass.:
756.995
SMILES:
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CSC)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN$|
Structure:
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