Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, adipocyte
Ligand
BDBM234709
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay
pH
7.5±n/a
IC50
13±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, 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:
BDBM234709
Synonyms:
US9353102, 4.15
Type:
Small organic molecule
Emp. Form.:
C23H25N3O3S2
Mol. Mass.:
455.593
SMILES:
Cc1c(sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1 |t:8,(-4.49,.69,;-3.16,-.08,;-3.16,-1.62,;-1.7,-2.1,;-.79,-.85,;.75,-.85,;1.52,-2.18,;.75,-3.52,;3.06,-2.18,;4.15,-3.27,;5.64,-2.87,;6.03,-1.39,;4.95,-.3,;3.46,-.7,;4.95,-1.09,;4.15,-2.48,;3.75,-4.76,;2.26,-5.16,;4.84,-5.85,;-1.7,.4,;-.93,1.73,;.54,2.21,;.54,3.75,;-.93,4.22,;-1.83,2.98,;1.87,4.52,;3.41,4.52,;2.64,5.85,;-4.49,-2.39,;-6.03,-2.39,;-5.26,-3.72,)|
Structure:
Search PDB for entries with ligand similarity: