Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, brain
Ligand
BDBM635786
Substrate
n/a
Meas. Tech.
FABP3, FABP5, and FABP7 Binding Assay
Ki
680±160 nM
Citation
 Ojima, I; Kaczocha, M; Awwa, M; Pepe, A TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF US Patent  US20230365488 Publication Date 11/16/2023 
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:
BDBM635786
Synonyms:
US20230365488, Compound 3c
Type:
Small organic molecule
Emp. Form.:
C31H26O4
Mol. Mass.:
462.5357
SMILES:
OC(=O)[C@@H]1C([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccccc1-c1ccccc1)c1ccccc1 |r,wU:3.2,5.14,wD:6.7,(-4.94,-3.35,;-4.94,-1.81,;-6.27,-1.04,;-3.6,-1.04,;-2.12,-1.44,;-1.72,.05,;-3.2,.45,;-3.97,1.78,;-3.2,3.12,;-3.97,4.45,;-5.51,4.45,;-6.28,3.12,;-5.51,1.78,;-.38,.82,;-.38,2.36,;.95,.05,;2.28,.82,;3.62,.05,;3.62,-1.49,;4.95,-2.26,;6.28,-1.49,;6.28,.05,;4.95,.82,;4.95,2.36,;6.28,3.13,;6.28,4.67,;4.95,5.44,;3.62,4.67,;3.62,3.13,;-1.35,-2.77,;-2.12,-4.11,;-1.35,-5.44,;.19,-5.44,;.96,-4.11,;.19,-2.77,)|
Structure:
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