Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCannabinoid receptor 1
LigandBDBM50298933
Substrate/Competitorn/a
Meas. Tech.ChEMBL_588141 (CHEMBL1049258)
Ki>2820±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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50298933
n/a
NameBDBM50298933
Synonyms:CHEMBL574279 | N-(4-Chlorobenzhydryl)1-(3,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
TypeSmall organic molecule
Emp. Form.C30H25Cl3N4O
Mol. Mass.563.905
SMILESCc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1 |(33.1,-39.67,;33.94,-38.37,;35.47,-38.3,;35.87,-36.8,;34.58,-35.97,;34.49,-34.43,;33.38,-36.94,;31.89,-36.55,;31.34,-35.1,;32.18,-33.81,;29.8,-35.19,;29.4,-36.68,;30.7,-37.52,;30.78,-39.05,;29.49,-39.9,;29.57,-41.43,;30.95,-42.13,;31.03,-43.67,;32.23,-41.29,;33.61,-41.99,;32.16,-39.75,;28.83,-33.99,;29.38,-32.55,;27.31,-34.24,;26.33,-33.04,;26.88,-31.6,;28.4,-31.36,;28.95,-29.92,;27.98,-28.73,;26.45,-28.98,;25.91,-30.42,;24.81,-33.29,;23.84,-32.09,;22.32,-32.34,;21.77,-33.78,;20.25,-34.02,;22.75,-34.98,;24.27,-34.73,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: