Reaction Details Report a problem with these data
Target
Fatty acid-binding protein 5
Ligand
BDBM489716
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
30.0±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 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:
BDBM489716
Synonyms:
US10968163, Compound 3l-B
Type:
Small organic molecule
Emp. Form.:
C30H30O4
Mol. Mass.:
454.5568
SMILES:
OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)O[C@H]1CCCCC1c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,16.17,(4.06,11.44,;2.57,11.84,;2.17,13.32,;1.48,10.75,;-.06,10.75,;-.06,9.21,;1.48,9.21,;2.57,8.12,;2.17,6.63,;3.26,5.54,;4.75,5.94,;5.15,7.43,;4.06,8.52,;-1.15,8.12,;-2.48,8.89,;-1.15,6.58,;-2.48,5.81,;-3.81,6.58,;-5.15,5.81,;-5.15,4.27,;-3.81,3.5,;-2.48,4.27,;-1.15,3.5,;-1.15,1.96,;.19,1.19,;1.52,1.96,;1.52,3.5,;.19,4.27,;-1.15,11.84,;-.75,13.32,;-1.84,14.41,;-3.32,14.01,;-3.72,12.53,;-2.63,11.44,)|
Structure:
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