Reaction Details Report a problem with these data
Target
Fatty acid-binding protein 5
Ligand
BDBM312347
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay
IC50
10.00±n/a nM
Citation
 Buettelmann, B; Ceccarelli, SM; Kuehne, H; Kuhn, B; Neidhart, W; Obst Sander, U; Richter, H Bicyclic thiophenylamide compounds US Patent  US9604977 Publication Date 3/28/2017 
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:
BDBM312347
Synonyms:
3-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylcarbamoyl]-bicyclo[2.2.2]oct-2-ene-2-carboxylic acid | US9604977, Example 93
Type:
Small organic molecule
Emp. Form.:
C24H27N3O4S
Mol. Mass.:
453.554
SMILES:
CC1CCc2c(C1)sc(NC(=O)C1=C(C3CCC1CC3)C(O)=O)c2-c1nc(no1)C1CC1 |t:13,(-6.65,-2.22,;-5.32,-1.45,;-5.32,.09,;-3.98,.86,;-2.65,.09,;-2.65,-1.45,;-3.98,-2.22,;-1.18,-1.93,;-.28,-.68,;1.26,-.68,;2.03,-2.02,;1.26,-3.35,;3.57,-2.02,;4.34,-3.35,;5.88,-3.35,;6.65,-2.02,;5.88,-.68,;4.34,-.68,;5.67,-1.45,;4.55,-2.58,;3.57,-4.68,;2.03,-4.68,;4.34,-6.02,;-1.18,.56,;-.41,1.9,;1.05,2.37,;1.05,3.91,;-.41,4.39,;-1.32,3.14,;2.38,4.68,;3.92,4.68,;3.15,6.02,)|
Structure:
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