Reaction Details Report a problem with these data
Target
Fatty acid-binding protein 5
Ligand
BDBM489718
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
10.00±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:
BDBM489718
Synonyms:
US10968163, Compound 3l-D
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:3.2,4.31,wD:6.7,5.14,16.17,(4.06,-19.41,;2.57,-19.01,;2.17,-17.52,;1.48,-20.1,;1.48,-21.64,;-.06,-21.64,;-.06,-20.1,;-1.15,-19.01,;-.75,-17.52,;-1.84,-16.43,;-3.32,-16.83,;-3.72,-18.32,;-2.63,-19.41,;-1.15,-22.73,;-2.48,-21.96,;-1.15,-24.27,;-2.48,-25.04,;-3.81,-24.27,;-5.15,-25.04,;-5.15,-26.58,;-3.81,-27.35,;-2.48,-26.58,;-1.15,-27.35,;-1.15,-28.89,;.19,-29.66,;1.52,-28.89,;1.52,-27.35,;.19,-26.58,;2.57,-22.73,;2.17,-24.22,;3.26,-25.3,;4.75,-24.91,;5.15,-23.42,;4.06,-22.33,)|
Structure:
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