Reaction Details |
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Target | Cannabinoid receptor 1 |
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Ligand | BDBM50180036 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_560597 (CHEMBL1009869) |
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Ki | 677±n/a nM |
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Citation | Markt, P; Feldmann, C; Rollinger, JM; Raduner, S; Schuster, D; Kirchmair, J; Distinto, S; Spitzer, GM; Wolber, G; Laggner, C; Altmann, KH; Langer, T; Gertsch, J Discovery of novel CB2 receptor ligands by a pharmacophore-based virtual screening workflow. J Med Chem52:369-78 (2009) [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 |
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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BDBM50180036 |
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n/a |
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Name | BDBM50180036 |
Synonyms: | (6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6Hdibenzo[b,d]pyran | (6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene | CHEMBL371214 | JWH-133 |
Type | Small organic molecule |
Emp. Form. | C22H32O |
Mol. Mass. | 312.4889 |
SMILES | CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| |
Structure |
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