| Reaction Details |
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 | Report a problem with these data |
| Target | Cannabinoid receptor 1 |
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| Ligand | BDBM50213595 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_451950 (CHEMBL901108) |
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| Ki | 135±n/a nM |
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| Citation |  Durdagi, S; Papadopoulos, MG; Papahatjis, DP; Mavromoustakos, T Combined 3D QSAR and molecular docking studies to reveal novel cannabinoid ligands with optimum binding activity. Bioorg Med Chem Lett17:6754-63 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cannabinoid receptor 1 |
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| Name: | Cannabinoid receptor 1 |
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| Synonyms: | CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | CNR1_HUMAN | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cannabinoid receptor 1 (brain) |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 52868.96 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P21554 |
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| Residue: | 472 |
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| Sequence: | MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQE
KMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIA
VLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVF
HRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLM
WTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWK
AHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLL
AIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQ
PLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
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| BDBM50213595 |
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| n/a |
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| Name | BDBM50213595 |
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| Synonyms: | 5-(2-hexyl-1,3-dithiolan-2-yl)-2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl)benzene-1,3-diol | 5-(2-hexyl-[1,3]dithiolan-2-yl)-2-((R)-6-isopropenyl-3-methyl-cyclohex-2-enyl)-benzene-1,3-diol | CHEMBL239208 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H36O2S2 |
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| Mol. Mass. | 432.682 |
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| SMILES | CCCCCCC1(SCCS1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,t:18| |
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| Structure | 
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