Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, heart
Ligand
BDBM50468452
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
100.0±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:
BDBM50468452
Synonyms:
CHEMBL4283759 | US10968163, Compound 3e
Type:
Small organic molecule
Emp. Form.:
C24H19IO4
Mol. Mass.:
498.3097
SMILES:
OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1I)c1ccccc1 |r,wU:4.25,5.14,wD:3.2,6.7,(72.92,-19.81,;71.43,-19.41,;71.03,-17.93,;70.34,-20.5,;68.8,-20.5,;68.8,-22.04,;70.34,-22.04,;71.43,-23.13,;71.03,-24.62,;72.11,-25.71,;73.6,-25.31,;74,-23.81,;72.91,-22.73,;67.71,-23.13,;66.22,-22.73,;68.11,-24.62,;67.02,-25.71,;67.42,-27.18,;66.34,-28.27,;64.85,-27.88,;64.45,-26.39,;65.54,-25.3,;65.14,-23.81,;67.71,-19.41,;68.11,-17.93,;67.03,-16.84,;65.54,-17.24,;65.14,-18.74,;66.23,-19.82,)|
Structure:
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