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GPCR

NameCannabinoid receptor 1
SpeciesRattus norvegicus (Rat)
GeneCnr1
SynonymSKR6R
Neuronal cannabinoid receptor
Central cannabinoid receptor
CB1R
CB1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length473
Amino acid sequenceMKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEENIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProtP20272
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3571
IUPHAR56
DrugBankN/A

Ligand

NameDronabinol
Molecular formulaC21H30O2
IUPAC name(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular weight314.469
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP7.0
SynonymsLS-975
QCD 84924
Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol
Tox21_112616
US9416103, Delta9-THC
[ Show all ]
Inchi KeyCYQFCXCEBYINGO-IAGOWNOFSA-N
Inchi IDInChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
PubChem CID16078
ChEMBLCHEMBL465
IUPHAR2424
BindingDB60994
DrugBankDB00470

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5011.0 nMPMID9379442BindingDB,ChEMBL
EC50199.53 nMPMID16420041ChEMBL
Emax159.0 %PMID16420041ChEMBL
IC505.8 nMPMID7636873BindingDB,ChEMBL
Ki36.0 nMPMID26890113BindingDB,ChEMBL
Ki37.0 nMPMID16078824BindingDB,ChEMBL
Ki39.5 nMPMID24900848ChEMBL
Ki40.0 nMPMID24900848BindingDB
Ki41.0 nMPMID17919913, PMID16005223, PMID20943404, PMID20621488BindingDB,ChEMBL
Ki47.6 nMPMID8809166ChEMBL
Ki48.0 nMPMID8809166BindingDB
Ki66.5 nMPMID9379442ChEMBL
Ki67.0 nMPMID9379442BindingDB
Ki80.0 nMPMID9379442BindingDB
Ki80.3 nMPMID9379442ChEMBL

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