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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Cannabinoid receptor 1
Species	Rattus norvegicus (Rat)
Gene	Cnr1
Synonym	SKR6R Neuronal cannabinoid receptor Central cannabinoid receptor CB1R CB1 receptor CB1 CB-R Cann7 Cann6 Brain-type cannabinoid receptor THC receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	473
Amino acid sequence	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEENIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P20272
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3571
IUPHAR	56
DrugBank	N/A

Ligand

Name	CP55940
Molecular formula	C24H40O3
IUPAC name	2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
Molecular weight	376.581
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	6.1
Synonyms	SR-01000075740-4 2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol BDBM50072775 CP 55,940 CP-56,667 GTPL734 MLS002153159 Phenol, 5-(1,1-dimethylheptyl)-2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, rel- rel-5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-phenol UNII-8YX8JK1BQG component YNZFFALZMRAPHQ-SYYKKAFVSA-N (1r,3r,4r)-3-[2-hydroxy-4-(1,1-dimethylheptyl)phenyl]-4-(3-hydroxypropyl)cyclohexan-1-ol 5-(1,1-Dimethyl-heptyl)-2-[(4R,6R)-5-hydroxy-2-((R)-3-hydroxy-propyl)-cyclohexyl]-phenol 86687-39-0 CCG-204284 CP 868388 D0D6OH KFY70972J5 NCGC00024896-03 SR-01000075740 ZINC2568244 (S)-3-[3-(1-Carboxy-1-methylethoxy)phenyl]piperidine-1-carboxylic Acid 4-Isopropylbenzyl Ester AKOS024458710 CHEMBL559612 CP-55940 [(-)-AC],XIV FT-0641893 LP00189 PDSP2_000199 SR-01000597481 3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol 83002-04-4 C 1112 CP 55940 CP55,940 HMS2236E04 NCGC00015212-01 Phenol, 5-(1,1-dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, (1alpha,2beta,5alpha)- SCHEMBL120410 UNII-KFY70972J5 (3S)-3-[3-(1-Carboxy-1-methylethoxy)phenyl]-1-piperidinecarboxylic Acid 1-[[4-(1-Methylethyl)phenyl]methyl] Ester 5-(1,1-Dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)phenol AC1L2XOK CHEMBL48552 CP-55,940 D0EQ0T Lopac-C-1112 NCGC00024896-04 SR-01000075740-1 [3H]CP55940 2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol AN-36089 ChEMBL_75020 CP-55940, >98% (HPLC), powder GTPL730 LS-104511 PDSP2_000671 SR-01000597481-1 (+-)-CP 55940 5-(1,1-Dimethyl-heptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxy-propyl)-cyclohexyl]-phenol 83003-12-7 C24H40O3 CP 56667 HMS3649D17 NCGC00024896-02 Phenol, 5-(1,1-dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-,(1alpha,2beta,5alpha)- SMR001230653 YNZFFALZMRAPHQ-SYYKKAFVSA-N (?)-CP-55940 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol AC1Q59U5 CP-55940 EU-0100189 Lopac0_000189 NCGC00024896-05 [ Show all ]
Inchi Key	YNZFFALZMRAPHQ-SYYKKAFVSA-N
Inchi ID	InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
PubChem CID	104895
ChEMBL	CHEMBL559612
IUPHAR	734, 730
BindingDB	50072775
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	132.0 %	MedChemComm, (2014) 5:5:632	ChEMBL
Activity	169.0 %	PMID19278853	ChEMBL
EC50	0.16 nM	PMID18680277	BindingDB,ChEMBL
EC50	100.0 nM	PMID16420041	ChEMBL
Emax	443.0 %	PMID16420041	ChEMBL
IC50	4.0 nM	PMID21962575	BindingDB,ChEMBL
Ki	0.58 nM	PMID17919913	BindingDB,ChEMBL
Ki	0.92 nM	PMID8474008	BindingDB
Ki	1.24 nM	PMID19278853	BindingDB,ChEMBL
Ki	1.3 nM	PMID11741470	BindingDB,ChEMBL
Ki	1.4 nM	PMID16078824	BindingDB,ChEMBL
Ki	7.7 nM	Med Chem Res, (2012) 21:12:4473	ChEMBL

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