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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 2
Species	Homo sapiens (Human)
Gene	CNR2
Synonym	Peripheral cannabinoid receptor rCB2 hCB2 cannabinoid receptor 2 (macrophage) cannabinoid receptor 2 (spleen) CB-2 CB2 CB2 receptor CB2-R CX5 [ Show all ]
Disease	Immune disorder Inflammatory bowel disease Inflammatory disease Neuropathic pain Osteoporosis Pain Atopic dermatitis Rheumatoid arthritis [ Show all ]
Length	360
Amino acid sequence	MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
UniProt	P34972
Protein Data Bank	5zty
GPCR-HGmod model	P34972
3D structure model	This structure is from PDB ID 5zty.
BioLiP	BL0438927
Therapeutic Target Database	T37693
ChEMBL	CHEMBL253
IUPHAR	57
DrugBank	BE0000095

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	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-Naphthyl-(1-pentylindol-3-yl)methanone 3-(naphthalene-1-carbonyl)-1-pentyl-1H-indole AJ-63880 AM-678 CCG-208715 DTXSID10175117 JWH 018 Methanone, 1-naphthalenyl(1-pentyl-1H-indol-3-yl)- RD-0094 1-pentyl-3-(1-naphthoyl)-indole 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 (1-Pentyl-1H-indol-3-yl)-1-naphthalenylmethanone 1-pentyl-3-1-naphthoyl-indole AB1010094 BDBM50353747 DEA No. 7118 I01-5097 JWH-018,1-Ii>>u-3-(1-YA(1/4)xo pound>>u)ssAssa Q-200132 W4386 1-Naphthyl-(1-pentylindol-3-yl)methanone; JWH-018 414P073 AKOS005145577 AN-11379 FT-0645403 JWH-018 naphthalen-1-yl(1-pentyl-1H-indol-3-yl)methanone RTC-064464 A4549 BC652259 CTK3J6553 HIN1319 JWH-018 ((Naphthalen-1-yl)(1-pentylindol-3-yl)methanone) 1.0 mg/ml in Acetonitrile NCGC00386566-01 TC-064464 1-Naphthalenyl(1-pentyl-1H-indol-3-yl)methanone 209414-07-3 ACT06673 BR-31879 DS-3151 JDNLPKCAXICMBW-UHFFFAOYSA-N JWH018 QC-9204 ZINC13476531 1-Pentyl-3-(1-naphthoyl) indole AM 678 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-Pentyl-3-(1-naphthoyl)indoleJWH 018 AB0023351 [ 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	2.897 nM	PMID19249138	ChEMBL
Ki	2.9 nM	PMID23865723, PMID19249138	BindingDB,ChEMBL
Ki	3.16228 nM	PMID10525107	IUPHAR
Ki	6.31 nM	PMID21885167	ChEMBL

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