Reaction Details Report a problem with these data
Target
Trace amine-associated receptor 1
Ligand
BDBM63039
Substrate
n/a
IC50
39.54±n/a nM
Citation
 PubChem, PC Fluorescence-based cell-based high throughput dose response assay to identify antagonists of the human trace amine associated receptor 1 (TAAR1) PubChem Bioassay (2013)[AID] 
Target
Name:
Trace amine-associated receptor 1
Synonyms:
TA1 | TAAR1 | TAAR1_HUMAN | TAR1 | TRAR1 | trace amine-associated receptor 1
Type:
PROTEIN
Mol. Mass.:
39107.47
Organism:
Homo sapiens (Human)
Description:
ChEMBL_792734
Residue:
339
Sequence:
MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS
  
Inhibitor
Name:
BDBM63039
Synonyms:
2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methyl-1,3-oxazol-2-yl)acetamide | 2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methyl-1,3-oxazol-2-yl)ethanamide | 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-methyl-2-oxazolyl)acetamide | 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-(4-methyloxazol-2-yl)acetamide | 2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio}-N-(4-methyl-1,3-oxazol-2-yl)acetamide | MLS000537027 | SMR000143664 | cid_1301870
Type:
Small organic molecule
Emp. Form.:
C19H12ClF3N4O2S
Mol. Mass.:
452.837
SMILES:
Cc1coc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)-c2ccc(Cl)cc2)n1
Structure:
Search PDB for entries with ligand similarity: