Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM35872
Substrate
BDBM35866
Meas. Tech.
GTP-gamma-S Binding Assay
pH
7.4±n/a
Temperature
303.15±n/a K
IC50
21±n/a nM
Citation
 Boström, J; Berggren, K; Elebring, T; Greasley, PJ; Wilstermann, M Scaffold hopping, synthesis and structure-activity relationships of 5,6-diaryl-pyrazine-2-amide derivatives: a novel series of CB1 receptor antagonists. Bioorg Med Chem 15:4077-84 (2007) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 1
Synonyms:
CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | CNR1_HUMAN | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cannabinoid receptor 1 (brain)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52868.96
Organism:
Homo sapiens (Human)
Description:
P21554
Residue:
472
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
  
Inhibitor
Name:
BDBM35872
Synonyms:
5,6-bis(4-methoxyphenyl)-N-(piperidin-1-yl)pyrazine-2-carboxamide | 5,6-bis-(4-methoxy-phenyl)-pyrazine-2-carboxylicacid piperidin-1-ylamide | 5,6-diaryl-pyrazine-2-amide derivative, 5d | CHEMBL226273
Type:
Small organic molecule
Emp. Form.:
C24H26N4O3
Mol. Mass.:
418.4882
SMILES:
COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)NN1CCCCC1
Structure:
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Substrate
Name:
BDBM35866
Synonyms:
GTP-gamma-S | Guanosine 5 -(gamma-S)triphosphate | gamma-Thio-GTP
Type:
Nucleoside or nucleotide
Emp. Form.:
C10H16N5O13P3S
Mol. Mass.:
539.246
SMILES:
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O
Structure:
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