Reaction Details Report a problem with these data
Target
Trace amine-associated receptor 1
Ligand
BDBM96690
Substrate
n/a
IC50
1161±n/a nM
Citation
 PubChem, PC Counterscreen for agonists of the human trace amine associated receptor 1 (hTAAR1): Fluorescence-based cell-based high throughput dose response assay to identify hTAAR1 agonist that also desensitize TAAR1 receptor response. 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:
BDBM96690
Synonyms:
4-[[(5-bromanylthiophen-2-yl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide | 4-[[(5-bromo-2-thienyl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexanecarboxamide | 4-[[(5-bromo-2-thiophenyl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1-cyclohexanecarboxamide | 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide | MLS000675224 | N-{2-[4-(aminosulfonyl)phenyl]ethyl}-4-({[(5-bromothien-2-yl)sulfonyl]amino}methyl)cyclohexanecarboxamide | SMR000313946 | cid_16193924
Type:
Small organic molecule
Emp. Form.:
C20H26BrN3O5S3
Mol. Mass.:
564.537
SMILES:
NS(=O)(=O)c1ccc(CCNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1 |(8.62,11.96,;8.62,10.42,;10.16,10.42,;7.08,10.42,;8.62,8.88,;9.95,8.11,;9.95,6.57,;8.62,5.8,;8.62,4.26,;7.29,3.49,;7.29,1.95,;5.95,1.18,;4.62,1.95,;5.95,-.36,;7.29,-1.13,;7.29,-2.67,;5.95,-3.44,;5.95,-4.98,;4.62,-5.75,;4.62,-7.29,;3.08,-7.29,;6.16,-7.29,;4.62,-8.83,;3.37,-9.73,;3.85,-11.2,;5.39,-11.2,;6.3,-12.44,;5.87,-9.73,;4.62,-2.67,;4.62,-1.13,;7.29,6.57,;7.29,8.11,)|
Structure:
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