Reaction Details Report a problem with these data
Target
Fatty acid-binding protein 5
Ligand
BDBM635735
Substrate
n/a
Meas. Tech.
FABP3, FABP5, and FABP7 Binding Assay
Ki
330±60 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 5
Synonyms:
FABP5 | FABP5_HUMAN | Fatty acid binding protein epidermal | Fatty acid-binding protein 5 (FABP5)
Type:
Enzyme
Mol. Mass.:
15164.79
Organism:
Human
Description:
Q01469
Residue:
135
Sequence:
MATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDGKNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQEWDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKVE
  
Inhibitor
Name:
BDBM635735
Synonyms:
US20230365488, Compound 1b
Type:
Small organic molecule
Emp. Form.:
C33H27NO6
Mol. Mass.:
533.5706
SMILES:
COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1cc(ccc1C#N)-c1ccccc1)c1ccccc1OC)C(O)=O |r,wU:10.32,9.41,wD:11.13,(1.87,-1.78,;.33,-1.78,;-.45,-3.11,;.3,-4.49,;-.47,-5.82,;-2.01,-5.82,;-2.78,-4.49,;-2.01,-3.16,;-2.78,-1.82,;-4.27,-1.42,;-3.87,.06,;-2.38,-.34,;-1.05,.43,;.28,-.34,;-1.05,1.97,;.28,2.74,;1.62,1.97,;2.95,2.74,;2.95,4.28,;1.62,5.05,;.24,4.31,;-1.1,5.08,;-2.43,5.85,;4.28,1.97,;4.28,.43,;5.62,-.34,;6.95,.43,;6.95,1.97,;5.62,2.74,;-4.64,1.4,;-3.87,2.73,;-4.64,4.06,;-6.18,4.06,;-6.95,2.73,;-6.18,1.4,;-6.95,.06,;-8.47,.33,;-5.6,-2.19,;-5.6,-3.73,;-6.94,-1.42,)|
Structure:
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