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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	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	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 s3021 AS-37280 SR-01000884001-1 BR-61012 STK642500 CJ-05280 ZINC1540228 GP8358 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) AK-61012 Slimona BBL030198 SR-141716A CAS-168273-06-1 Tox21_112200_1 CTK8E8269 DSSTox_GSID_46453 HMS3657O15 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 RTR-007307 AN-15579 SR 141716 BDBM21278 SR141716A Zimulti D0E0ZR EX-A688 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) SB19549 AY6 SR-14171 C-22624 SW220167-1 CJ-24303 [3H]RIMONABANT DB06155 GTPL743 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) AKOS005266728 Slimona (TN) BC208812 SR141,716A CC-34263 TR-007307 D03IYT DSSTox_RID_81627 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 S-3507 API0004077 SR-01000884001 Bethin (TN) ST2418566 CHEMBL111 Zimulti (TN) D0O3OS FT-0631194 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 SCHEMBL38637 B1429 SR-141716 C14319 Tox21_112200 CS-0645 [3H]SR141716A DSSTox_CID_26453 HMS3604M05 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 AM84578 SMR003500713 BCP07803 SR141716 CHEBI:34967 UNII-RML78EN3XE D05731 DTXSID3046453 [ 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
	N/A	N/A	DrugBank
Activity	13.15 pmol	PMID18585913	ChEMBL
Bmax	1.7 pmol/mg	PMID17004712	ChEMBL
Decrease	-85.0 %	PMID15801840	ChEMBL
Displacement	46.0 %	PMID14613317	ChEMBL
EC50	0.11 nM	PMID20047779	BindingDB,ChEMBL
EC50	1.5 nM	PMID24175572	ChEMBL
EC50	1.6 nM	PMID19351113	BindingDB
EC50	4.0 nM	PMID19520572, PMID18083560	BindingDB,ChEMBL
EC50	5.0 nM	PMID26827137	ChEMBL
EC50	5.0 nM	PMID26827137	BindingDB
EC50	10.1 nM	PMID16279809, PMID16451053	BindingDB,ChEMBL
EC50	15.7 nM	PMID19530697	BindingDB,ChEMBL
EC50	18.2 nM	PMID19095444, PMID18712856	BindingDB,ChEMBL
EC50	50.0 nM	PMID25096297	BindingDB,ChEMBL
EC50	50.12 nM	PMID25096297	ChEMBL
EC50	240.0 nM	PMID19328683	BindingDB,ChEMBL
Efficacy	0.0 %	PMID24900561	ChEMBL
Emax	-84.0 %	PMID16279809	ChEMBL
Emax	98.89 %	PMID25096297	ChEMBL
IC50	1.35 nM	PMID18448340	BindingDB,ChEMBL
IC50	2.1 nM	PMID20005704	BindingDB,ChEMBL
IC50	2.2 nM	PMID18754613	BindingDB,ChEMBL
IC50	2.9 nM	PMID20015647	BindingDB,ChEMBL
IC50	3.0 nM	PMID17433696	BindingDB,ChEMBL
IC50	3.2 nM	PMID20047779	BindingDB,ChEMBL
IC50	4.0 nM	PMID21376588	BindingDB,ChEMBL
IC50	4.5 nM	PMID19954978, PMID20015647	BindingDB,ChEMBL
IC50	5.1 nM	PMID20015647	BindingDB,ChEMBL
IC50	6.0 nM	PMID15713403	BindingDB,ChEMBL
IC50	6.1 nM	PMID17181138, PMID17293109	BindingDB,ChEMBL
IC50	6.2 nM	PMID15664830	BindingDB,ChEMBL
IC50	11.22 nM	PMID21334892	BindingDB,ChEMBL
IC50	13.0 nM	PMID25644673, PMID24445310	BindingDB,ChEMBL
IC50	13.2 nM	PMID19530697	BindingDB,ChEMBL
IC50	13.5 nM	PMID26151231	ChEMBL
IC50	14.0 nM	PMID26151231	BindingDB
IC50	15.0 nM	PMID19095444, PMID18712856	BindingDB,ChEMBL
IC50	51.0 nM	PMID22959249	BindingDB,ChEMBL
IC50	63.1 nM	PMID19338356	ChEMBL
IC50	108.0 nM	PMID20045337	BindingDB,ChEMBL
IC50	120.0 nM	PMID18243711	BindingDB,ChEMBL
Inhibition	0.0 %	PMID22916707	ChEMBL
Inhibition	100.0 %	PMID24445310	ChEMBL
Kb	0.698 nM	PMID18800770	ChEMBL
Kd	1.8 nM	PMID17004712	BindingDB,ChEMBL
Kd	2.1 nM	PMID24092756	BindingDB
Kd	2.512 nM	PMID16140010, PMID20363132, PMID14736243, PMID15771428	ChEMBL
Kd	2.57 nM	PMID20845959, PMID18512901	ChEMBL
Ke	1.1 nM	PMID26827137, PMID22372835, PMID24944734, PMID20845959	ChEMBL
Ki	0.19 nM	PMID19102698	ChEMBL
Ki	0.19 nM	PMID19102698	PDSP
Ki	0.4 nM	PMID18754613	PDSP
Ki	0.4 nM	PMID18754613	BindingDB,ChEMBL
Ki	0.43 nM	PMID18448340	BindingDB,ChEMBL
Ki	0.73 nM	PMID21962575	BindingDB,ChEMBL
Ki	0.74 nM	PMID20047779	PDSP
Ki	0.74 nM	PMID20047779	BindingDB,ChEMBL
Ki	0.9 nM	PMID19102698	BindingDB,ChEMBL
Ki	0.9 nM	PMID19102698	PDSP
Ki	0.933 nM	PMID21334892	BindingDB
Ki	0.9333 nM	PMID21334892	ChEMBL
Ki	1.0 nM	PMID16263283	BindingDB,ChEMBL
Ki	1.1 nM	PMID17383180	BindingDB,ChEMBL
Ki	1.1 nM	PMID17383180	PDSP
Ki	1.18 nM	PMID18512901	PDSP
Ki	1.18 nM	PMID20845959, PMID18512901	BindingDB,ChEMBL
Ki	1.38 nM	PMID19767206	ChEMBL
Ki	1.4 nM	PMID21428406, PMID19767206	BindingDB,ChEMBL
Ki	1.6 nM	PMID19683918, PMID19351113, PMID24900484	BindingDB,ChEMBL
Ki	1.6 nM	PMID19683918, PMID19351113	PDSP
Ki	1.8 nM	PMID18083560	PDSP
Ki	1.8 nM	PMID19351113, PMID18083560, PMID24900484	BindingDB,ChEMBL
Ki	1.9 nM	PMID19520572	BindingDB,ChEMBL
Ki	1.9 nM	PMID19520572	PDSP
Ki	1.98 nM	PMID18363352, PMID24445310	ChEMBL
Ki	1.99 - 12.6 nM	PMID7565624, PMID8819477, PMID9435190, PMID8070571, PMID12663689	IUPHAR
Ki	1.995 nM	PMID19338356	ChEMBL
Ki	2.0 nM	PMID19338356	BindingDB
Ki	2.1 nM	PMID16263283	BindingDB,ChEMBL
Ki	2.4 nM	PMID18363352, PMID20018510	PDSP
Ki	2.4 nM	PMID18363352, PMID20018510	BindingDB,ChEMBL
Ki	4.8 nM	PMID14613317	BindingDB,ChEMBL
Ki	5.37 nM	PMID16392793	BindingDB,ChEMBL
Ki	5.4 nM	PMID16279809, PMID16451053, PMID15801840	BindingDB,ChEMBL
Ki	5.6 nM	PMID19095444	PDSP
Ki	5.6 nM	PMID19095444	BindingDB,ChEMBL
Ki	5.9 nM	PMID24175572	ChEMBL
Ki	6.0 nM	PMID18335976	PDSP,BindingDB,ChEMBL
Ki	6.18 nM	PMID18512901	PDSP
Ki	6.18 nM	PMID20845959, PMID18512901	BindingDB,ChEMBL
Ki	6.2 nM	PMID22372835, PMID26827137	BindingDB,ChEMBL
Ki	7.1 nM	PMID17004712	BindingDB,ChEMBL
Ki	7.3 nM	PMID24936232, PMID23434135	BindingDB,ChEMBL
Ki	8.0 nM	PMID18579386	PDSP,BindingDB,ChEMBL
Ki	8.9 nM	PMID11960486, PMID10465552	BindingDB,ChEMBL
Ki	9.6 nM	PMID14613317	BindingDB,ChEMBL
Ki	10.6 nM	PMID23406429, PMID23072339	BindingDB,ChEMBL
Ki	11.0 nM	PMID23406429, PMID24729834	BindingDB,ChEMBL
Ki	12.0 nM	PMID18293908, PMID26756097, PMID19595596, PMID20943290, PMID14980654, PMID23085772, PMID21702498, PMID22548457, PMID20718492, PMID18680276	PDSP,BindingDB,ChEMBL
Ki	12.6 nM	PMID24900561, PMID22916707	BindingDB,ChEMBL
Ki	13.0 nM	PMID24900561	BindingDB
Ki	14.0 nM	PMID14613317	BindingDB,ChEMBL
Ki	16.0 nM	PMID17942307	PDSP,BindingDB,ChEMBL
Ki	18.0 nM	PMID17004712	BindingDB,ChEMBL
Ki	25.0 nM	PMID18342403, PMID20047331, PMID14736243, PMID16140010, PMID15771428, PMID20363132	PDSP,BindingDB,ChEMBL
Ki	33.0 nM	PMID14613317	BindingDB,ChEMBL
Ki	40.0 nM	PMID18511157	PDSP,BindingDB,ChEMBL
Ki	47.0 nM	PMID17979261	PDSP,BindingDB,ChEMBL
Kieq	12.0 nM	PMID26756097	ChEMBL
Log Ki	1.09 nM	PMID10882356	ChEMBL