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GLASS

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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	1-Pentyl-3-(1-naphthoyl)indole
Molecular formula	C24H23NO
IUPAC name	naphthalen-1-yl-(1-pentylindol-3-yl)methanone
Molecular weight	341.454
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	6.3
Synonyms	1-Naphthyl-(1-pentylindol-3-yl)methanone; JWH-018 414P073 AKOS005145577 BDBM50353747 DEA No. 7118 I01-5097 JWH-018,1-Ii>>u-3-(1-YA(1/4)xo pound>>u)ssAssa Q-200132 W4386 A4549 AN-11379 FT-0645403 JWH-018 naphthalen-1-yl(1-pentyl-1H-indol-3-yl)methanone RTC-064464 1-Naphthalenyl(1-pentyl-1H-indol-3-yl)methanone 209414-07-3 ACT06673 BC652259 CTK3J6553 HIN1319 JWH-018 ((Naphthalen-1-yl)(1-pentylindol-3-yl)methanone) 1.0 mg/ml in Acetonitrile NCGC00386566-01 TC-064464 1-Pentyl-3-(1-naphthoyl) indole AM 678 BR-31879 DS-3151 JDNLPKCAXICMBW-UHFFFAOYSA-N JWH018 QC-9204 ZINC13476531 1-Pentyl-3-(1-naphthoyl)indoleJWH 018 AB0023351 ANW-47312 CHEMBL561013 G391998J57 JWH-018 ((Naphthalen-1-yl)(1-pentylindol-3-yl)methanone) Naphthalen-1-yl-(1-pentyl-1H-indol-3-yl)-methanone S-5674 1-Naphthyl-(1-pentylindol-3-yl)methanone 3-(naphthalene-1-carbonyl)-1-pentyl-1H-indole AJ-63880 BCP27424 DB-003103 HSDB 7998 JWH-018 solution, 100 mug/mL in methanol, ampule of 1 mL, (Spice Cannabinoid), certified reference material PubChem14828 UNII-G391998J57 1-pentyl-3-(1-naphthoyl)-indole AM-678 CCG-208715 DTXSID10175117 JWH 018 Methanone, 1-naphthalenyl(1-pentyl-1H-indol-3-yl)- RD-0094 (1-Pentyl-1H-indol-3-yl)-1-naphthalenylmethanone 1-pentyl-3-1-naphthoyl-indole AB1010094 API0024564 CJ-14392 GTPL9706 JWH-018 ((Naphthalen-1-yl)(1-pentylindol-3-yl)methanone) 0.1 mg/ml in Acetonitrile Naphthalen-1-yl-(1-pentylindol-3-yl)methanone SCHEMBL1707018 [ Show all ]
Inchi Key	JDNLPKCAXICMBW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
PubChem CID	10382701
ChEMBL	CHEMBL561013
IUPHAR	9706
BindingDB	50353747
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
EC50	5.012 nM	PMID21885167	ChEMBL
Ki	1.995 nM	PMID21885167	ChEMBL
Ki	9.5 nM	PMID23865723	BindingDB,ChEMBL
Ki	10.0 nM	PMID10525107	IUPHAR

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