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Target
Fatty acid-binding protein, brain
Ligand
BDBM489725
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
240±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:
BDBM489725
Synonyms:
US10968163, Compound 3r
Type:
Small organic molecule
Emp. Form.:
C20H17F3O4
Mol. Mass.:
378.3418
SMILES:
OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)OCC(F)(F)F)c1ccccc1 |r,wU:6.7,5.14,wD:4.22,3.2,(-2.95,3.35,;-3.35,1.86,;-4.83,1.46,;-2.26,.77,;-2.26,-.77,;-.72,-.77,;-.72,.77,;.37,1.86,;1.86,1.46,;2.95,2.55,;2.55,4.04,;1.06,4.44,;-.03,3.35,;.37,-1.86,;-.03,-3.35,;1.86,-1.46,;2.95,-2.55,;2.55,-4.04,;1.06,-3.64,;4.04,-4.44,;2.15,-5.52,;-3.35,-1.86,;-4.83,-1.46,;-5.92,-2.55,;-5.52,-4.04,;-4.04,-4.44,;-2.95,-3.35,)|
Structure:
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