Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, brain
Ligand
BDBM489701
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
120±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:
BDBM489701
Synonyms:
US10968163, Compound 3a
Type:
Small organic molecule
Emp. Form.:
C25H22O4
Mol. Mass.:
386.4398
SMILES:
OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 |r,wU:6.7,5.14,wD:4.25,3.2,(-3.69,3.35,;-4.09,1.86,;-5.58,1.46,;-3,.77,;-3,-.77,;-1.46,-.77,;-1.46,.77,;-.37,1.86,;1.12,1.46,;2.2,2.55,;1.81,4.04,;.32,4.44,;-.77,3.35,;-.37,-1.86,;-.77,-3.35,;1.12,-1.46,;2.2,-2.55,;3.69,-2.15,;4.78,-3.24,;6.27,-2.84,;6.67,-1.35,;5.58,-.26,;4.09,-.66,;-4.09,-1.86,;-5.58,-1.46,;-6.67,-2.55,;-6.27,-4.04,;-4.78,-4.44,;-3.69,-3.35,)|
Structure:
Search PDB for entries with ligand similarity: