Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCannabinoid receptor 1
LigandBDBM50198538
Substrate/Competitorn/a
Meas. Tech.ChEMBL_437693 (CHEMBL905968)
IC50 37±n/a nM
Citation Smith, RAFathi, ZBrown, SEChoi, SFan, JJenkins, SKluender, HCKonkar, ALavoie, RMays, RNatoli, JO'Connor, SJOrtiz, AAPodlogar, BTaing, CTomlinson, STritto, TZhang, Z Constrained analogs of CB-1 antagonists: 1,5,6,7-Tetrahydro-4H-pyrrolo[3,2-c]pyridine-4-one derivatives. Bioorg Med Chem Lett17:673-8 (2007) [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:
BDBM50198538
n/a
NameBDBM50198538
Synonyms:5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(thiophen-3-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL230888
TypeSmall organic molecule
Emp. Form.C24H24Cl2N2OS
Mol. Mass.459.431
SMILESCc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccsc1)-c1ccc(Cl)cc1Cl |(24.2,6.05,;24.68,4.59,;26.16,4.12,;26.17,2.57,;27.5,1.8,;28.84,2.57,;28.84,4.12,;30.18,4.89,;31.51,4.1,;32.84,4.86,;32.85,6.4,;31.52,7.18,;30.18,6.41,;27.5,4.9,;27.5,6.44,;24.7,2.09,;23.78,3.33,;22.25,3.32,;21.33,4.56,;19.87,4.08,;19.89,2.54,;21.36,2.08,;24.23,.62,;22.73,.3,;22.26,-1.16,;23.29,-2.3,;22.83,-3.77,;24.8,-1.97,;25.26,-.5,;26.77,-.17,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: