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TargetCannabinoid receptor 1
LigandBDBM50305424
Substrate/Competitorn/a
Meas. Tech.ChEMBL_603744
IC50 1.6±n/a nM
Citation Cooper MReceveur JMBjurling ENørregaard PKNielsen PASköld NHögberg T Exploring SAR features in diverse library of 4-cyanomethyl-pyrazole-3-carboxamides suitable for further elaborations as CB1 antagonists. Bioorg Med Chem Lett 20:26-30 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cannabinoid receptor 1
Name:Cannabinoid receptor 1
Synonyms:CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | 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:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQE
KMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIA
VLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVF
HRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLM
WTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWK
AHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLL
AIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQ
PLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
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  Blast E-value cutoff:
BDBM50305424
n/a
NameBDBM50305424
Synonyms:CHEMBL599964 | trans-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide
TypeSmall organic molecule
Emp. Form.C25H24Cl2N4O
Mol. Mass.467.39
SMILESC[C@H]1CC[C@@H](CC1)NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl |r,wU:4.7,wD:1.0,(2.91,-14.12,;2.14,-12.79,;2.9,-11.45,;2.13,-10.11,;.59,-10.13,;-.17,-11.46,;.6,-12.79,;-.19,-8.8,;-1.72,-8.81,;-2.5,-7.48,;-2.49,-10.15,;-1.95,-11.59,;-3.17,-12.55,;-4.45,-11.69,;-4.03,-10.21,;-4.82,-8.89,;-6.36,-8.92,;-7.91,-8.95,;-5.78,-12.47,;-7.11,-11.7,;-8.44,-12.47,;-8.44,-14.02,;-9.78,-14.79,;-7.11,-14.79,;-5.77,-14.02,;-3.11,-14.08,;-4.42,-14.9,;-4.36,-16.44,;-2.99,-17.16,;-1.69,-16.33,;-1.75,-14.79,;-.45,-13.97,)|
Structure
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