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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	Rimonabant
Molecular formula	C22H21Cl3N4O
IUPAC name	5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
Molecular weight	463.787
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.5
Synonyms	AM84578 SMR003500713 BCP07803 SR141716 CHEBI:34967 UNII-RML78EN3XE D05731 DTXSID3046453 I06-0381 143881-EP2287166A2 MLS004774043 5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-4-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID PIPERIDIN-1-YLAMIDE NCGC00164572-02 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-piperidinopyrazole-3-carboxamide Rimonabant [USAN:INN] AC-163720 RML78EN3XE s3021 AS-37280 SR-01000884001-1 BR-61012 STK642500 CJ-05280 ZINC1540228 GP8358 KB-12498 1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- Monaslim (TN) 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide 81R131 Rimoslim Acomplia AK-61012 Slimona BBL030198 SR-141716A CAS-168273-06-1 Tox21_112200_1 CTK8E8269 DSSTox_GSID_46453 HMS3657O15 LS-128155 4CH-015711 N-piperidino-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazolecarboxamide 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide Rimonabant - from sample AB0056959 Riobant (TN) RTR-007307 AN-15579 SR 141716 BDBM21278 SR141716A Zimulti D0E0ZR EX-A688 J-010440 143881-EP2292620A2 MLS006011772 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidinyl)-3-pyrazolecarboxamide PYR405 5-(p-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidinopyrazole-3-carboxamide Rimonabant(SR141716) AC-731 SB19549 AY6 SR-14171 C-22624 SW220167-1 CJ-24303 [3H]RIMONABANT DB06155 GTPL743 KS-00000NTG 1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- N-(piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide Rimonabant (JAN/USAN/INN) A 281 Rimoslim (TN) Acomplia (TN) AKOS005266728 Slimona (TN) BC208812 SR141,716A CC-34263 TR-007307 D03IYT DSSTox_RID_81627 HY-14136 143881-EP2287165A2 MCULE-7311256045 5-(4-Chlorophenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide NCGC00164572-01 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidino-1H-pyrazole-3-carboxamide Rimonabant [USAN:INN:JAN] AB01566860_01 Riomont (TN) S-3507 API0004077 SR-01000884001 Bethin (TN) ST2418566 CHEMBL111 Zimulti (TN) D0O3OS FT-0631194 JZCPYUJPEARBJL-UHFFFAOYSA-N 168273-06-1 MolPort-003-850-185 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidyl)pyrazole-3-carboxamide Remonabent (TN) Rimonbant AC1L2XM5 SCHEMBL38637 B1429 SR-141716 C14319 Tox21_112200 CS-0645 [3H]SR141716A DSSTox_CID_26453 HMS3604M05 L000572 N-piperidino-5-(4-chlorophenyl)-1(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-pyrazole-3-carboxamide Rimonabant (SR141716) A810956 Riobant AJ-26840 [ Show all ]
Inchi Key	JZCPYUJPEARBJL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PubChem CID	104850
ChEMBL	CHEMBL111
IUPHAR	743
BindingDB	21278
DrugBank	DB06155
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	31210.0 nM	PMID19328683	BindingDB,ChEMBL
Efficacy	0.0 %	PMID24900561	ChEMBL
Emax	100.0 %	PMID26151231	ChEMBL
IC50	<1000.0 nM	PMID19128970	BindingDB,ChEMBL
IC50	1.9 nM	PMID19095444	BindingDB,ChEMBL
IC50	92.5 nM	PMID19850473	BindingDB,ChEMBL
IC50	600.0 nM	PMID17181138	BindingDB,ChEMBL
IC50	603.3 nM	PMID17293109	BindingDB,ChEMBL
IC50	1631.1 nM	PMID19530697	BindingDB,ChEMBL
IC50	1760.0 nM	PMID19022666, PMID18954042, PMID20045337, PMID19850473, PMID18337096, PMID20673729, PMID19269817, PMID18243711	BindingDB,ChEMBL
IC50	1939.8 nM	PMID18712856	BindingDB,ChEMBL
IC50	1980.0 nM	PMID21741835	BindingDB,ChEMBL
IC50	4570.0 nM	PMID18754613	BindingDB,ChEMBL
IC50	9100.0 nM	PMID26151231	BindingDB,ChEMBL
IC50	9800.0 nM	PMID25644673, PMID24445310	BindingDB,ChEMBL
Inhibition	0.0 %	PMID22916707	ChEMBL
Inhibition	9.0 %	PMID25096297	ChEMBL
Inhibition	34.0 %	PMID21741835	ChEMBL
Inhibition	38.6 %	PMID24445310	ChEMBL
Inhibition	100.0 %	PMID24445310	ChEMBL
Kb	<1977.0 nM	PMID18800770	ChEMBL
Ki	<1000.0 nM	PMID18363352, PMID19520572	BindingDB,ChEMBL
Ki	1.1 nM	PMID24856183	BindingDB,ChEMBL
Ki	126.0 nM	PMID20047779	PDSP,BindingDB,ChEMBL
Ki	313.0 nM	PMID22372835, PMID26827137, PMID12061874, PMID20845959, PMID18512901	PDSP,BindingDB,ChEMBL
Ki	398.0 nM	PMID19338356	BindingDB
Ki	398.11 nM	PMID19338356	ChEMBL
Ki	522.0 nM	PMID24900484	BindingDB,ChEMBL
Ki	554.0 nM	PMID18083560	PDSP,BindingDB,ChEMBL
Ki	560.0 nM	PMID18363352, PMID20018510	PDSP,BindingDB,ChEMBL
Ki	697.0 nM	PMID18754613	PDSP,BindingDB,ChEMBL
Ki	790.0 nM	PMID18293908, PMID26756097, PMID19595596, PMID18579386, PMID20943290, PMID23085772, PMID21702498, PMID22548457, PMID20718492, PMID18680276	PDSP,BindingDB,ChEMBL
Ki	815.0 nM	PMID18448340	BindingDB,ChEMBL
Ki	851.14 nM	PMID21334892	BindingDB,ChEMBL
Ki	900.0 nM	PMID24900561, PMID22916707	BindingDB,ChEMBL
Ki	927.0 nM	PMID21428406, PMID19767206	BindingDB,ChEMBL
Ki	1000.0 nM	PMID19520572	PDSP
Ki	1400.0 nM	PMID27240274	BindingDB,ChEMBL
Ki	1569.0 nM	PMID19351113	BindingDB,ChEMBL
Ki	1580.0 nM	PMID18342403, PMID20047331, PMID14736243, PMID16140010, PMID15771428, PMID20363132	PDSP,BindingDB,ChEMBL
Ki	1640.0 nM	PMID17942307	PDSP,BindingDB,ChEMBL
Ki	1990.0 nM	PMID17979261	PDSP,BindingDB,ChEMBL
Ki	2511890.0 nM	PMID21183257	ChEMBL
Kieq	790.0 nM	PMID26756097	ChEMBL
Log Ki	2.85 nM	PMID10882356	ChEMBL

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