Reaction Details Report a problem with these data
Target
Fatty acid-binding protein 5
Ligand
BDBM234672
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay
pH
7.5±n/a
IC50
60±n/a nM
Comments
extracted
Citation
 Buettelmann, B; Ceccarelli, SM; Kuehne, H; Kuhn, B; Neidhart, W; Obst Sander, U; Richter, H Non-annulated thiophenylamides US Patent  US9353102 Publication Date 5/31/2016 
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:
BDBM234672
Synonyms:
US9353102, 3.1
Type:
Small organic molecule
Emp. Form.:
C21H20F3N3O4S
Mol. Mass.:
467.461
SMILES:
Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(-c2nc(no2)C(F)(F)F)c1C1CC1 |t:7,TLB:15:8:10.11:14.13,THB:5:7:10.11:14.13,(-4.55,-2.4,;-3.21,-1.63,;-1.75,-2.11,;-.84,-.86,;.7,-.86,;1.47,-2.2,;.7,-3.53,;3.01,-2.2,;3.78,-3.53,;5.32,-3.53,;6.09,-2.2,;5.32,-.86,;3.78,-.86,;3.78,-2.11,;5.32,-2.11,;3.01,-4.86,;1.47,-4.86,;3.78,-6.2,;-1.75,.38,;-1.35,1.87,;.11,2.35,;.11,3.89,;-1.35,4.36,;-2.26,3.12,;1.45,4.66,;2.78,3.89,;1.45,6.2,;2.78,5.43,;-3.21,-.09,;-4.55,.68,;-5.32,2.01,;-6.09,.68,)|
Structure:
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