Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, adipocyte
Ligand
BDBM312320
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay
IC50
20.0±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:
BDBM312320
Synonyms:
3-[3-(3-Isopropyl-[1,2,4]oxadiazol-5-yl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylcarbamoyl]-bicyclo[2.2.2]oct-2-ene-2-carboxylic acid | US9604977, Example 68
Type:
Small organic molecule
Emp. Form.:
C23H27N3O4S
Mol. Mass.:
441.543
SMILES:
CC(C)c1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCc12 |t:14,(2.96,4.37,;1.47,4.77,;1.07,6.25,;.38,3.68,;-1.08,4.15,;-1.99,2.91,;-1.08,1.66,;.38,2.14,;-1.85,.33,;-.95,-.92,;.59,-.92,;1.36,-2.25,;.59,-3.59,;2.9,-2.25,;3.67,-3.59,;5.21,-3.59,;5.98,-2.25,;5.21,-.92,;3.67,-.92,;4.07,-2.41,;4.82,-2.1,;2.9,-4.92,;1.36,-4.92,;3.67,-6.25,;-1.85,-2.16,;-3.32,-1.69,;-4.65,-2.46,;-5.98,-1.69,;-5.98,-.15,;-4.65,.62,;-3.32,-.15,)|
Structure:
Search PDB for entries with ligand similarity: