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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	Dronabinol
Molecular formula	C21H30O2
IUPAC name	(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular weight	314.469
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	7.0
Synonyms	DSSTox_GSID_21327 INT-0010 LS-975 QCD 84924 Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol Tox21_112616 US9416103, Delta9-THC Delta9-Tetrahydrocannabinol solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis Dronabinol (USP/INN) 3ls4 (-)-delta(sup 1)-3,4-trans-Tetrahydrocannabinol 6H-Dibenzo[b, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl- (-)-Delta9-THC (Dronabinol) 1.0 mg/ml in Methanol 9-delta-Tetrahydrocannabinol (10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol BDBM50007391 (6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol Cannabinol, Delta1-tetrahydro- (7CI) .DELTA.1-THC CHEBI:66964 1-trans-delta-9-Tetrahydrocannabinol D0P1FO 14146-43-1 delta(9)-Tetrahydrocannabinol 23623-EP2298772A1 delta-9 Tetrahydrocannabinol Epitope ID:224552 L-.delta.1-trans-Tetrahydrocannabinol Namisol SCHEMBL4609 Tetrahydrocannabinol delta9 trans-delta-9-Tetrahydrocannabinol delta1-Tetrahydrocannabinol (VAN) delta9-trans-Tetrahydrocannabinol Dronabinol [USAN:INN] 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol(delta9-THC(delta9-tetrahydrocannabinol)) (-)-.DELTA.1-Tetrahydrocannabinol 6H-Dibenzo (-)-delta9-(trans)-Tetrahydrocannabinol 6H-dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)- (-)-trans-.DELTA.9-Tetrahydrocannabinol 9-THC (6AR,10AR)-6,6,9-TRIMETHYL-3-PENTYL-6H,6AH,7H,8H,10AH-BENZO[C]ISOCHROMEN-1-OL C06972 (l)-delta1-Tetrahydrocannabinol Cannabinol, tetrahydro-(6CI) .DELTA.9-trans-Tetrahydrocannabinol Compassia 124699-EP2289509A2 DEA No. 7369 1972-08-3 delta(sup 1)-Tetrahydrocannabinol 23623-EP2314580A1 delta-9-THC Hashish L-trans-.delta.9-Tetrahydrocannabinol NSC134454 Synthetic THC in sesame oil / soft gelatin THC UNII-7J8897W37S delta9-Tetrahydrocannabinol (VAN) Drona binol Dronabinolum [Latin] 6,6,9-Trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-dibenzo(b,d)pyran-1-ol (-)-.DELTA.9-trans-Tetrahydrocannabinol 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)- (-)-Delta9-Tetrahydrocannabinol solution, ~1 mg/mL in ethanol, analytical standard, for drug analysis 7J8897W37S (-)-trans-Delta9-THC AC1Q2VRZ (6aR-trans)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol Cannabinol, 1-trans-delta(sup 9)-tetrahydro- .delta.-9-THC CAT-310 1-trans-delta(sup 9)-Tetrahydrocannabinol D00306 1363-19-5 delta(1)-Tetrahydrocannabinol 23623-EP2298764A1 delta(sup 9)-Thc 3-Pentyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-dibenzo(b,d)pyran-1-ol DSSTox_RID_76083 INT-0010/06 Marinol QCD-84924 Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol trans-.DELTA.9-Tetrahydrocannabinol ZINC1530625 delta-THC Delta9-Tetrahydrocannabinol solution, ethanol solution Dronabinol in sesame oil and encapsulated in a soft gelatin capsule in a U.S. FDA approved drug product 5957-27-7 (-)-(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol 6465-30-1 (-)-delta(sup 1)-3,4-trans-Tetrahydrocannabinol(l)-delta(sup 1)-Tetrahydrocannabinol 6H-Dibenzo[b, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)- (-)-Delta9-THC (Dronabinol) 5.0 mg/ml in Methanol 9-ene-Tetrahydrocannabinol (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol BDBM60994 (L)-.delta.1-Tetrahydrocannabinol Cannabinol, Delta1-tetrahydro-(7CI) .DELTA.9-Tetrahydrocannabinol 1-trans-delta9-Tetrahydrocannabinol 148820-EP2289509A2 delta(9)-Tetrahydrocannibinol 23623-EP2308839A1 delta-9-tetrahydrocannabinol Ganja L-delta(sup 1)-tetrahydrocannabinol NSC 134454 SP 104 Tetrahydrocannabinols (-)-delta1-3,4-trans-form trans-delta9-Tetrahydrocannabinol delta1-THC Deltanyne Dronabinol [USAN:USP:INN] 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol(DeltaE-9-THC) (-)-.DELTA.9-Tetrahydrocannabinol 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-3-pentyl-6,6,9-trimethyl- (6ar-trans)- (-)-delta9-Tetrahydrocannabinol 6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)- (-)-trans-Delta1-Tetrahydrocannabinol Abbott 40566 (6aR,10aR)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol Cannabinol, .DELTA.1-tetrahydro- (S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol Cannabis resin 1-trans-.delta.(sup9)-tetrahydrocannabinol CTK8D8346 124699-EP2295426A1 DEA No. 7370 23623-EP2269989A1 delta(sup 1)-Thc DSSTox_CID_1327 HSDB 6471 L-trans-delta9-Tetrahydrocannabinol PDSP2_000714 Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-di benzo[b,d]pyran-1-ol THC-delta-9 UNII-K4H93P747O component CYQFCXCEBYINGO-IAGOWNOFSA-N Delta9-Tetrahydrocannabinol solution 6,9-Trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-ol (-)-3,4-trans-Delta1-Tetrahydrocannabinol 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, trans- (-)-Delta9-THC (Dronabinol) 0.1 mg/ml in Methanol 8,8-Dimethyl-11-methylene-5-pentyl-3,4,8a,9,10,11,12,12a-octahydro-2H,8H-1,7-dioxa-benzo[c]phenanthrene (-)-trans-Delta9-THC solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material API0002497 (6aR-trans)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol Cannabinol, delta1-tetrahydro- .DELTA.1-Tetrahydrocannabinol CCRIS 4726 1-trans-delta(sup9)-tetrahydrocannabinol D0L4AI 14146-29-3 delta(1)-THC 23623-EP2298765A1 delta(sup9)-Thc 3-pentyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol DTXSID6021327 L-.delta.1-Tetrahydrocannabinol Marinol (TN) Relivar TETRAHYDROCANNABINOL trans-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol delta1-Tetrahydrocannabinol delta9-THC Dronabinol in sesame oil in soft gelatin capsule 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol (-)-.delta.(sup9)-trans-Tetrahydrocannabinol 6H-Dibe nzo[b,d]pyran-1-ol,6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)- (-)-delta1-Tetrahydrocannabinol 6H-Dibenzo[b, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, trans- (-)-delta9-trans-Tetrahydrocannabinol 9-tetrahydrocannabinol (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol BIDD:GT0427 (l)-delta(sup 1)-Tetrahydrocannabinol Cannabinol, tetrahydro- (6CI) .DELTA.9-THC CHEMBL465 124699-EP2272825A2 DB00470 14C-.DELTA.1-Tetrahydrocannabinol delta(9)-THC 23623-EP2314298A1 Delta-9-Tetrahydrocannabinol, United States Pharmacopeia (USP) Reference Standard GTPL2424 L-delta1-trans-Tetrahydrocannabinol NSC-134454 Syndros Tetranabinex trans-tetrahydrocannabinol delta9-Tetrahydrocannabinol DRG-0138 Dronabinolum 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol (-)-.DELTA.9-THC 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)- (-)-Delta9-Tetrahydrocannabinol solution 6H-Dibenzo[b,d]pyran-1-ol,6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)- (-)-trans-delta9-Tetrahydrocannabinol AC1L277U (6aR,10aR)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol Cannabinol, 1-trans-.delta.(sup9)-tetrahydro- .delta.(sup9)-THC CAS-1972-08-3 1-trans-D9-Tetrahydrocannabinol CYQFCXCEBYINGO-IAGOWNOFSA-N 124699-EP2295427A1 delta 9-Tetrahydrocannabinol 23623-EP2275420A1 delta(sup 9)-Tetrahydrocannabinol 26108-45-2 [ Show all ]
Inchi Key	CYQFCXCEBYINGO-IAGOWNOFSA-N
Inchi ID	InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
PubChem CID	16078
ChEMBL	CHEMBL465
IUPHAR	2424
BindingDB	60994
DrugBank	DB00470
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
EC50	1.5 nM	PMID18522867	BindingDB,ChEMBL
EC50	12.0 nM	PMID25072877	BindingDB
EC50	12.3 nM	PMID25072877	ChEMBL
IC50	9.5 nM	PMID21999614	BindingDB,ChEMBL
Inhibition	21.0 %	PMID9379442	ChEMBL
Ki	3.3 nM	PMID17531479	BindingDB,ChEMBL
Ki	24.0 nM	PMID22284817	BindingDB,ChEMBL
Ki	25.0 nM	PMID14505654	BindingDB,ChEMBL
Ki	31.6228 - 79.4328 nM	PMID7565624, PMID8819477, PMID9379442, PMID8626625	IUPHAR
Ki	32.0 nM	PMID9379442	BindingDB
Ki	32.2 nM	PMID9379442	ChEMBL
Ki	36.0 nM	PMID16005223, PMID20621488, PMID17919913, PMID8831752, PMID20079638, PMID11020293, PMID22341572, PMID23865723, PMID20943404	BindingDB,ChEMBL
Ki	36.4 nM	PMID23865723	ChEMBL
Ki	40.0 nM	PMID27560280	BindingDB,ChEMBL
Ki	41.0 nM	PMID18522867	BindingDB,ChEMBL
Ki	42.0 nM	PMID26000707	BindingDB,ChEMBL
Ki	46.0 nM	PMID25072877	BindingDB,ChEMBL
Ki	71.6 nM	PMID23679955, MedChemComm, (2014) 5:5:632	ChEMBL
Log Ki	1.56 nM	PMID10882356	ChEMBL