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GPCR

NameCannabinoid receptor 1
SpeciesHomo sapiens (Human)
GeneCNR1
SynonymCB1
Central cannabinoid receptor
SKR6R
THC receptor
CB1R
[ Show all ]
DiseaseObesity; Diabetes
Chemotherapy-induced nausea
Diabetes; Obesity
Drug abuse
Hypertension; Diabetes; Obesity
[ Show all ]
Length472
Amino acid sequenceMKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProtP21554
Protein Data Bank5tjv, 5u09, 5xr8, 5xra, 6n4b, 5tgz
GPCR-HGmod modelP21554
3D structure modelThis structure is from PDB ID 5tjv.
BioLiPBL0384680, BL0364157, BL0384679, BL0384681, BL0384682, BL0384683, BL0384684, BL0440253, BL0440254,BL0440255, BL0363267, BL0361447, BL0361446
Therapeutic Target DatabaseT76685
ChEMBLCHEMBL218
IUPHAR56
DrugBankBE0000061

Ligand

Name362519-49-1
Molecular formulaC23H20Cl2N4O2S
IUPAC name5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
Molecular weight487.399
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.3
Synonyms(+/-)-SLV 319
3-(4-Chlorophenyl)-N-[(4-Chlorophenyl)sulfonyl]-4,5-dihydro-N'-methyl-4-phenyl-1H-pyrazole-1-carboximidamide
CS-6430
R-SLV319
( inverted exclamation markA)-Ibipinabant
[ Show all ]
Inchi KeyAXJQVVLKUYCICH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
PubChem CID11179267
ChEMBLCHEMBL158784
IUPHARN/A
BindingDB29094
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC501.905 nMPMID19406638ChEMBL
IC501.91 nMPMID19406638BindingDB
IC5022.0 nMPMID22959249BindingDB,ChEMBL
IC50139.0 nMPMID22959249BindingDB,ChEMBL
Kd1.995 nMPMID20047331, PMID20137935, PMID19699640, PMID14736243ChEMBL
Ki3.0 nMPMID19338356BindingDB
Ki4.1 nMPMID18083560PDSP
Ki4.1 nMPMID18083560BindingDB
Ki7.8 nMPMID19520572PDSP
Ki8.0 nMPMID18335976PDSP,BindingDB
Ki25.0 nMPMID20047331, PMID19699640, PMID14736243PDSP,BindingDB,ChEMBL
Ki25.2 nMPMID20137935, PMID14736243BindingDB,ChEMBL

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