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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	Homo sapiens (Human)
Gene	CNR1
Synonym	CB1 Central cannabinoid receptor SKR6R THC receptor CB1R CANN6 CB1 receptor Neuronal cannabinoid receptor Cann7 CB-R [ Show all ]
Disease	Obesity; Diabetes Chemotherapy-induced nausea Diabetes; Obesity Drug abuse Hypertension; Diabetes; Obesity Insomnia Ischemia Lipid metabolism disorder Metabolic disorders Obesity Type 2 diabetes Schizophrenia Psychotic disorders Postherpetic neuralgia Ovarian cancer Obesity; Metabolic disorders Nicotine dependence; Obesity Neuropathic pain Cerebrovascular ischaemia Central nervous system disease Pain Anorexia Endocrine disease [ Show all ]
Length	472
Amino acid sequence	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P21554
Protein Data Bank	5tjv, 5u09, 5xr8, 5xra, 6n4b, 5tgz
GPCR-HGmod model	P21554
3D structure model	This structure is from PDB ID 5tjv.
BioLiP	BL0384680, BL0364157, BL0384679, BL0384681, BL0384682, BL0384683, BL0384684, BL0440253, BL0440254,BL0440255, BL0363267, BL0361447, BL0361446
Therapeutic Target Database	T76685
ChEMBL	CHEMBL218
IUPHAR	56
DrugBank	BE0000061

Ligand

Name	Org 27569
Molecular formula	C24H28ClN3O
IUPAC name	5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
Molecular weight	409.958
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	6.0
Synonyms	J-517342 Org 27569, >=98% (HPLC) SW219411-1 5-Chloro-3-ethyl-N-[2-[4-(1-piperidinyl)phenyl]ethyl-1H-indole-2-carboxamide API0008465 CS-0514 MFCD11045300 RL05380 ZINC35636065 4CA-0943 BDBM50389939 DTXSID00660764 SB19548 5-Chloro-3-ethyl-N-(4-(piperidin-1-yl)phenethyl)-1H-indole-2-carboxamide AJ-91994 HMS3651O11 KS-00000S85 ORG-27569 W-5463 5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide BC660098 CTK8E7559 MolPort-019-939-182 RT-014867 5-chloro-3-ethyl-1h-indole-2-carboxylic acid (2-(4-piperidin-1-yl)phenylethyl)amide 868273-06-7 BN0791 EX-A2224 Org 27569, 868273-06-7 SCHEMBL18958918 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide AKOS022184226 CHEMBL1553629 HY-13288 LP01016 Org27569 Y0256 273O067 BCP08021 D05QTX NCGC00186033-01 s1534 5-Chloro-3-ethyl-1H-indole-2-carboxylic acid [2-(4-piperidin-1-ylphenyl)ethyl]amide ab120342 C24H28ClN3O GTPL7851 [ Show all ]
Inchi Key	AHFZDNYNXFMRFQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
PubChem CID	44828492
ChEMBL	CHEMBL1553629
IUPHAR	7851
BindingDB	50389939
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	>30.0 %	PMID25797163	ChEMBL
Activity	243.8 %	PMID22571451	ChEMBL
EC50	9.05 nM	PMID26529344	ChEMBL
EC50	83.0 nM	PMID26529344	ChEMBL
EC50	140.0 nM	PMID22571451	BindingDB,IUPHAR,ChEMBL
EC50	324.0 nM	PMID26529344	ChEMBL
EC50	640.0 nM	PMID26203658	BindingDB,ChEMBL
EC50	2090.0 nM	PMID26203658	BindingDB,ChEMBL
EC50	2240.0 nM	PMID26203658	BindingDB,ChEMBL
EC50	10590.0 nM	PMID26203658	BindingDB,ChEMBL
Emax	78.1 %	PMID26529344	ChEMBL
Emax	105.0 %	PMID26529344	ChEMBL
Emax	109.3 %	PMID26529344	ChEMBL
IC50	853.0 nM	PMID25797163	BindingDB,ChEMBL
Kb	217.3 nM	PMID24053617, PMID24635495	ChEMBL

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