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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

NameSCHEMBL2485239
Molecular formulaC24H32Cl2N6O
IUPAC name8-(2-chlorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methyl-9-(oxan-4-ylmethyl)purine;hydrochloride
Molecular weight491.461
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogPNone
Synonyms8-(2-chloro-phenyl)-6-(4-ethyl-piperazin-1-yl)-2-methyl-9-(tetrahydro-pyran-4-ylmethyl)-9h-purine hydrochloride salt
CHEMBL3092900
AGOHXRYBJHVPSH-UHFFFAOYSA-N
Inchi KeyAGOHXRYBJHVPSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31ClN6O.ClH/c1-3-29-10-12-30(13-11-29)23-21-24(27-17(2)26-23)31(16-18-8-14-32-15-9-18)22(28-21)19-6-4-5-7-20(19)25;/h4-7,18H,3,8-16H2,1-2H3;1H
PubChem CID67425523
ChEMBLCHEMBL3092900
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nMPMID23795771ChEMBL

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