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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

NameCHEMBL2163952
Molecular formulaC30H32N2O3
IUPAC nameN-(3,5-dimethyl-1-adamantyl)-10-oxo-2-phenyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
Molecular weight468.597
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.9
SynonymsBDBM50395176
Inchi KeyADAWJIUDJGXERN-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H32N2O3/c1-28-11-19-12-29(2,16-28)18-30(13-19,17-28)31-27(34)22-14-32-23(20-7-4-3-5-8-20)15-35-24-10-6-9-21(25(24)32)26(22)33/h3-10,14,19,23H,11-13,15-18H2,1-2H3,(H,31,34)
PubChem CID71455077
ChEMBLCHEMBL2163952
IUPHARN/A
BindingDB50395176
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki460.0 nMPMID22738271BindingDB,ChEMBL

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