Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, brain
Ligand
BDBM50468467
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
620±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, brain
Synonyms:
B-FABP | BLBP | FABP7 | FABP7_HUMAN | FABPB | MRG
Type:
PROTEIN
Mol. Mass.:
14886.73
Organism:
Homo sapiens
Description:
ChEMBL_116822
Residue:
132
Sequence:
MVEAFCATWKLTNSQNFDEYMKALGVGFATRQVGNVTKPTVIISQEGDKVVIRTLSTFKNTEISFQLGEEFDETTADDRNCKSVVSLDGDKLVHIQKWDGKETNFVREIKDGKMVMTLTFGDVVAVRHYEKA
  
Inhibitor
Name:
BDBM50468467
Synonyms:
CHEMBL4285544 | US10968163, Compound 3q
Type:
Small organic molecule
Emp. Form.:
C32H26O4
Mol. Mass.:
474.5464
SMILES:
OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1 |r,wU:4.34,5.14,wD:3.2,6.7,(45.06,-3.75,;43.57,-3.35,;43.17,-1.87,;42.48,-4.44,;40.94,-4.44,;40.94,-5.99,;42.48,-5.99,;43.57,-7.08,;43.16,-8.56,;44.25,-9.65,;45.74,-9.26,;46.14,-7.76,;45.05,-6.68,;39.85,-7.08,;38.36,-6.68,;40.24,-8.56,;39.16,-9.65,;39.55,-11.14,;41,-11.69,;42.36,-11,;43.65,-11.83,;43.57,-13.37,;42.2,-14.06,;40.92,-13.23,;39.43,-13.63,;38.74,-14.99,;37.21,-15.08,;36.37,-13.79,;37.07,-12.42,;38.59,-12.34,;39.85,-3.35,;40.25,-1.87,;39.16,-.78,;37.67,-1.18,;37.27,-2.68,;38.36,-3.76,)|
Structure:
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