Reaction Details |
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Target | Cannabinoid receptor 1 |
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Ligand | BDBM87018 |
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Substrate/Competitor | n/a |
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Ki | 301.4±n/a nM |
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Comments | PDSP_8605 |
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Citation | Wang, H; Duffy, RA; Boykow, GC; Chackalamannil, S; Madison, VS Identification of novel cannabinoid CB1 receptor antagonists by using virtual screening with a pharmacophore model. J Med Chem51:2439-46 (2008) [PubMed] Article |
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More Info.: | Get all data from this article |
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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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BDBM87018 |
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n/a |
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Name | BDBM87018 |
Synonyms: | (3S,4R)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one | CAS_44450418 | NSC_44450418 |
Type | Small organic molecule |
Emp. Form. | C24H21F2NO3 |
Mol. Mass. | 409.4252 |
SMILES | OC(CCC1C(N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 |
Structure |
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