Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, adipocyte
Ligand
BDBM312382
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, 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:
BDBM312382
Synonyms:
3-[3-(3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]-thiophen-2-ylcarbamoyl]-bicyclo[2.2.2]oct-2-ene-2-carboxylic acid | US9604977, Example 128
Type:
Small organic molecule
Emp. Form.:
C22H22F3N3O4S
Mol. Mass.:
481.488
SMILES:
OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C(F)(F)F |t:3,(1.72,-4.41,;3.26,-4.41,;4.03,-5.74,;4.03,-3.07,;3.26,-1.74,;4.03,-.41,;5.57,-.41,;6.34,-1.74,;5.57,-3.07,;4.23,-2.3,;5.36,-1.18,;1.72,-1.74,;.95,-3.07,;.95,-.41,;-.59,-.41,;-1.5,-1.65,;-2.96,-1.18,;-4.17,-2.14,;-5.67,-1.79,;-6.34,-.41,;-5.67,.98,;-4.17,1.32,;-2.96,.36,;-1.5,.84,;-.73,2.17,;.81,2.17,;1.29,3.64,;.04,4.54,;-1.2,3.64,;2.62,4.41,;3.95,3.64,;3.39,5.74,;1.85,5.74,)|
Structure:
Search PDB for entries with ligand similarity: