Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, brain
Ligand
BDBM50468442
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
190±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:
BDBM50468442
Synonyms:
CHEMBL4276759 | US10968163, Compound 4a
Type:
Small organic molecule
Emp. Form.:
C30H26O8
Mol. Mass.:
514.5226
SMILES:
COc1cc(ccc1O)[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ccccc12)c1ccc(O)c(OC)c1)C(O)=O |r,wU:9.9,12.14,wD:10.39,11.29,(2.99,-19.92,;4.08,-21,;5.57,-20.6,;6.66,-21.68,;8.14,-21.27,;8.54,-19.79,;7.45,-18.7,;5.96,-19.1,;4.87,-18.01,;9.22,-22.36,;10.77,-22.36,;10.77,-23.9,;9.22,-23.9,;8.14,-24.99,;6.65,-24.59,;8.53,-26.48,;7.45,-27.57,;5.96,-27.16,;4.87,-28.25,;5.27,-29.74,;6.77,-30.13,;7.17,-31.6,;8.65,-31.99,;9.72,-30.9,;9.32,-29.43,;7.85,-29.05,;11.85,-24.99,;11.45,-26.48,;12.54,-27.57,;14.03,-27.17,;15.12,-28.26,;14.42,-25.67,;15.91,-25.27,;17,-26.35,;13.33,-24.59,;11.85,-21.27,;13.34,-21.67,;11.46,-19.79,)|
Structure:
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