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TargetCannabinoid receptor 1
LigandBDBM50198521
Substrate/Competitorn/a
Meas. Tech.ChEMBL_437693 (CHEMBL905968)
IC50 9.3±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
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  Blast E-value cutoff:
BDBM50198521
n/a
NameBDBM50198521
Synonyms:5-cyclohexyl-3-methyl-1-o-tolyl-2-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL387609
TypeSmall organic molecule
Emp. Form.C28H29F3N2O
Mol. Mass.466.5379
SMILESCc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(F)(F)F)-c1ccccc1C |(-.13,-9.49,;.36,-10.95,;1.84,-11.42,;1.85,-12.97,;3.18,-13.74,;4.52,-12.97,;4.52,-11.42,;5.86,-10.65,;7.19,-11.43,;8.52,-10.67,;8.53,-9.13,;7.2,-8.36,;5.86,-9.12,;3.18,-10.64,;3.18,-9.1,;.38,-13.45,;-.54,-12.21,;-2.08,-12.22,;-2.85,-10.9,;-4.39,-10.91,;-5.15,-12.25,;-4.36,-13.58,;-2.83,-13.56,;-6.69,-12.26,;-8.24,-12.26,;-6.69,-13.8,;-6.69,-10.72,;-.09,-14.92,;-1.6,-15.24,;-2.07,-16.71,;-1.03,-17.85,;.48,-17.51,;.94,-16.05,;2.44,-15.71,)|
Structure
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