Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCannabinoid receptor 1
LigandBDBM50332894
Substrate/Competitorn/a
Meas. Tech.ChEMBL_694005 (CHEMBL1636581)
Ki 104.7±n/a nM
Citation Silvestri, RLigresti, ALa Regina, GPiscitelli, FGatti, VLavecchia, ABrizzi, APasquini, SAllarà, MFantini, NCarai, MABigogno, CRozio, MGSinisi, RNovellino, EColombo, GDi Marzo, VDondio, GCorelli, F Synthesis and biological evaluation of new N-alkyl 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides as cannabinoid receptor ligands. Eur J Med Chem45:5878-86 (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 | 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:
BDBM50332894
n/a
NameBDBM50332894
Synonyms:1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-N-(octan-2-yl)-1H-pyrazole-3-carboxamide | CHEMBL1631300
TypeSmall organic molecule
Emp. Form.C25H32Cl2N4O
Mol. Mass.475.454
SMILESCCCCCCC(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(29.45,-13.96,;28.68,-12.63,;27.14,-12.64,;26.36,-11.31,;24.82,-11.32,;24.04,-9.99,;22.5,-9.99,;21.74,-11.33,;21.73,-8.67,;20.18,-8.67,;19.42,-7.35,;19.41,-10.03,;19.82,-11.5,;18.55,-12.35,;17.35,-11.39,;17.89,-9.95,;17.06,-8.65,;15.82,-11.31,;14.89,-10.07,;15.34,-8.6,;13.44,-10.56,;13.45,-12.09,;14.92,-12.56,;15.41,-14.02,;18.55,-13.9,;17.22,-14.67,;17.22,-16.21,;18.55,-16.98,;18.55,-18.52,;19.89,-16.21,;19.88,-14.66,;21.23,-13.88,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: