Reaction Details Report a problem with these data
Target
Fatty acid-binding protein 5
Ligand
BDBM489706
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
150±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:
BDBM489706
Synonyms:
US10968163, Compound 3f
Type:
Small organic molecule
Emp. Form.:
C24H26O4
Mol. Mass.:
378.4608
SMILES:
OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)OC1CCCCC1)c1ccccc1 |r,wU:6.7,5.14,wD:4.24,3.2,(-2.75,3.69,;-3.15,2.2,;-4.63,1.81,;-2.06,1.12,;-2.06,-.42,;-.52,-.42,;-.52,1.12,;.57,2.2,;2.06,1.81,;3.15,2.89,;2.75,4.38,;1.26,4.78,;.17,3.69,;.57,-1.51,;.17,-3,;2.06,-1.12,;3.15,-2.2,;2.75,-3.69,;3.84,-4.78,;5.33,-4.38,;5.72,-2.89,;4.63,-1.81,;-3.15,-1.51,;-4.63,-1.12,;-5.72,-2.2,;-5.33,-3.69,;-3.84,-4.09,;-2.75,-3,)|
Structure:
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