| Reaction Details |
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 | Report a problem with these data |
| Target | Cannabinoid receptor 1 |
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| Ligand | BDBM50130627 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_451950 (CHEMBL901108) |
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| Ki | 170±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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| BDBM50130627 |
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| n/a |
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| Name | BDBM50130627 |
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| Synonyms: | (6aR,10aR)-3-(1,3-dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | 3-[1,3]Dithiolan-2-yl-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | CHEMBL111345 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H24O2S2 |
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| Mol. Mass. | 348.523 |
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| SMILES | CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1SCCS1 |t:1| |
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| Structure | 
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