Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, adipocyte
Ligand
BDBM312465
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay
IC50
12.0±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, adipocyte
Synonyms:
A-FABP | AFABP | ALBP | Adipocyte lipid-binding protein | FABP4 | FABP4_HUMAN | Fatty acid binding protein adipocyte | Fatty acid-binding protein 4 | Fatty acid-binding protein 4 (FABP4)
Type:
Enzyme
Mol. Mass.:
14719.23
Organism:
Homo sapiens (Human)
Description:
P15090
Residue:
132
Sequence:
MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA
  
Inhibitor
Name:
BDBM312465
Synonyms:
3-[3-(3-Cyclopropyl-[1,2,4]thiadiazol-5-yl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylcarbamoyl]-bicyclo[2.2.2]oct-2-ene-2-carboxylic acid | US9604977, Example 211
Type:
Small organic molecule
Emp. Form.:
C23H25N3O3S2
Mol. Mass.:
455.593
SMILES:
OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCc2c1-c1nc(ns1)C1CC1 |t:3,(1.79,-5.59,;3.28,-5.2,;4.36,-6.28,;3.67,-3.71,;2.9,-2.37,;3.67,-1.04,;5.21,-1.04,;5.98,-2.37,;5.21,-3.71,;3.88,-2.94,;4.97,-1.85,;1.36,-2.37,;.59,-3.71,;.59,-1.04,;-.95,-1.04,;-1.85,-2.29,;-3.32,-1.81,;-4.65,-2.58,;-5.98,-1.81,;-5.98,-.27,;-4.65,.5,;-3.32,-.27,;-1.85,.2,;-1.45,1.69,;.01,2.17,;.01,3.71,;-1.45,4.18,;-2.36,2.94,;1.1,4.8,;2.59,5.2,;1.5,6.28,)|
Structure:
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