Reaction Details Report a problem with these data
Target
Fatty acid-binding protein 5
Ligand
BDBM635750
Substrate
n/a
Meas. Tech.
FABP3, FABP5, and FABP7 Binding Assay
Ki
410±150 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:
Homo sapiens (Human)
Description:
Q01469
Residue:
135
Sequence:
MATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDGKNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQEWDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKVE
  
Inhibitor
Name:
BDBM635750
Synonyms:
US20230365488, Compound 1g
Type:
Small organic molecule
Emp. Form.:
C34H30O8
Mol. Mass.:
566.5972
SMILES:
COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1cccc(c1)-c1cccc2OCCOc12)c1ccccc1OC)C(O)=O |r,wU:10.35,9.44,wD:11.13,(1.86,-1.39,;.32,-1.39,;-.45,-2.72,;.3,-4.11,;-.47,-5.44,;-2.01,-5.44,;-2.78,-4.11,;-2.01,-2.77,;-2.78,-1.44,;-4.27,-1.04,;-3.87,.45,;-2.38,.05,;-1.05,.82,;.28,.05,;-1.05,2.36,;.28,3.13,;.28,4.67,;1.62,5.44,;2.95,4.67,;2.95,3.13,;1.62,2.36,;4.28,2.36,;5.62,3.13,;6.95,2.36,;6.95,.82,;5.62,.05,;5.62,-1.49,;4.28,-2.26,;2.95,-1.49,;2.95,.05,;4.28,.82,;-4.64,1.78,;-3.87,3.12,;-4.64,4.45,;-6.18,4.45,;-6.95,3.12,;-6.18,1.78,;-6.95,.45,;-8.47,.72,;-5.6,-1.81,;-5.6,-3.35,;-6.94,-1.04,)|
Structure:
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