Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, brain
Ligand
BDBM489713
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
20.0±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, 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:
BDBM489713
Synonyms:
US10968163, Compound 3k
Type:
Small organic molecule
Emp. Form.:
C24H17Cl3O4
Mol. Mass.:
475.748
SMILES:
OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccc(Cl)c(Cl)c1Cl)c1ccccc1 |r,wU:4.27,5.14,wD:6.7,3.2,(4.05,3.51,;2.57,3.91,;2.17,5.39,;1.48,2.82,;-.08,2.8,;-.08,1.26,;1.46,1.26,;2.55,.17,;2.15,-1.31,;3.24,-2.4,;4.73,-2,;5.13,-.52,;4.04,.57,;-1.17,.17,;-2.66,.57,;-.77,-1.31,;-1.86,-2.4,;-3.35,-2,;-4.44,-3.09,;-4.04,-4.58,;-5.13,-5.67,;-2.55,-4.98,;-2.15,-6.47,;-1.46,-3.89,;.03,-4.29,;-1.17,3.89,;-.77,5.38,;-1.86,6.47,;-3.35,6.07,;-3.75,4.58,;-2.66,3.49,)|
Structure:
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