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TargetCannabinoid receptor 1
LigandBDBM50298921
Substrate/Competitorn/a
Meas. Tech.ChEMBL_588141 (CHEMBL1049258)
Ki 165±n/a nM
Citation Silvestri, RLigresti, ALa Regina, GPiscitelli, FGatti, VBrizzi, APasquini, SLavecchia, AAllarà, MFantini, NCarai, MANovellino, EColombo, GDi Marzo, VCorelli, F Synthesis, cannabinoid receptor affinity, molecular modeling studies and in vivo pharmacological evaluation of new substituted 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides. 2. Effect of the 3-carboxamide substituent on the affinity and selectivity profile. Bioorg Med Chem17:5549-64 (2009) [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 | 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:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQE
KMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIA
VLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVF
HRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLM
WTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWK
AHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLL
AIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQ
PLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
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  Blast E-value cutoff:
BDBM50298921
n/a
NameBDBM50298921
Synonyms:CHEMBL574970 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
TypeSmall organic molecule
Emp. Form.C27H27BrF2N4O4
Mol. Mass.589.428
SMILESCOc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)c(Br)c(OC)c1OC |(44.41,-4.05,;43.07,-4.82,;41.74,-4.05,;40.4,-4.82,;39.07,-4.05,;37.73,-4.82,;36.4,-4.05,;35.07,-4.82,;35.07,-6.36,;33.73,-4.05,;33.57,-2.51,;32.07,-2.19,;31.3,-3.53,;32.32,-4.67,;32.01,-6.18,;29.76,-3.69,;28.73,-2.54,;29.05,-1.04,;27.32,-3.17,;27.49,-4.7,;28.99,-5.02,;29.62,-6.43,;31.44,-.78,;29.9,-.62,;29.28,.78,;30.19,2.03,;29.56,3.43,;31.72,1.87,;32.34,.46,;33.88,.3,;39.07,-2.51,;37.73,-1.74,;40.4,-1.74,;40.4,-.2,;41.74,.57,;41.74,-2.51,;43.07,-1.74,;44.41,-2.51,)|
Structure
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