Reaction Details Report a problem with these data
Target
Fatty acid-binding protein 5
Ligand
BDBM489737
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
160±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 5
Synonyms:
FABP5 | FABP5_HUMAN | Fatty acid binding protein epidermal | Fatty acid-binding protein 5 (FABP5)
Type:
Enzyme
Mol. Mass.:
15164.79
Organism:
Homo sapiens (Human)
Description:
Q01469
Residue:
135
Sequence:
MATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDGKNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQEWDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKVE
  
Inhibitor
Name:
BDBM489737
Synonyms:
US10968163, Compound 4h
Type:
Small organic molecule
Emp. Form.:
C30H28Br2O4
Mol. Mass.:
612.349
SMILES:
OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Br)C(=O)OC1CCCC[C@H]1c1ccccc1)c1ccccc1Br |r,wU:4.32,5.15,wD:6.7,22.25,3.2,(3.71,3.36,;2.22,3.76,;1.82,5.25,;1.13,2.67,;-.42,2.66,;-.42,1.12,;1.12,1.12,;2.2,.03,;1.81,-1.46,;2.89,-2.55,;4.38,-2.15,;4.78,-.66,;3.69,.43,;4.09,1.91,;-1.51,.03,;-3,.43,;-1.12,-1.46,;-2.2,-2.55,;-3.69,-2.15,;-4.78,-3.24,;-4.38,-4.73,;-2.89,-5.13,;-1.81,-4.04,;-.32,-4.44,;.08,-5.92,;1.57,-6.32,;2.66,-5.23,;2.26,-3.75,;.77,-3.35,;-1.51,3.75,;-3,3.35,;-4.09,4.44,;-3.69,5.92,;-2.2,6.32,;-1.12,5.23,;.37,5.63,)|
Structure:
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