Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, heart
Ligand
BDBM489733
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
80.0±n/a nM
Citation
 Ojima, I; Deutsch, D; Kaczocha, M; Hu, K; Tong, S; Elmes, M; Yan, S Alpha-truxillic acid derivatives and pharmaceutical compositions thereof US Patent  US10968163 Publication Date 4/6/2021 
Target
Name:
Fatty acid-binding protein, heart
Synonyms:
FABP11 | FABP3 | FABPH_HUMAN | Fatty acid binding protein muscle | MDGI
Type:
PROTEIN
Mol. Mass.:
14858.36
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1463784
Residue:
133
Sequence:
MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA
  
Inhibitor
Name:
BDBM489733
Synonyms:
US10968163, Compound 4e
Type:
Small organic molecule
Emp. Form.:
C32H33O6
Mol. Mass.:
513.6014
SMILES:
COc1ccccc1C1C(C(C1C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1OC)C([O-])=O |wU:15.16,wD:20.23,(-8.95,1.63,;-7.61,.86,;-6.28,1.63,;-6.28,3.17,;-4.94,3.94,;-3.61,3.17,;-3.61,1.63,;-4.94,.86,;-4.94,-.68,;-6.03,-1.77,;-4.94,-2.85,;-3.86,-1.77,;-2.32,-1.77,;-1.55,-3.1,;-1.55,-.43,;-.01,-.43,;.76,-1.77,;2.3,-1.77,;3.07,-.43,;2.3,.9,;.76,.9,;-.01,2.24,;-1.55,2.24,;-2.32,3.57,;-1.55,4.9,;-.01,4.9,;.76,3.57,;-4.94,-4.39,;-6.28,-5.16,;-6.28,-6.7,;-4.94,-7.47,;-3.61,-6.7,;-3.61,-5.16,;-2.28,-4.39,;-.94,-5.16,;-7.57,-1.77,;-8.34,-3.1,;-8.34,-.43,)|
Structure:
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