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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

NameWin-55212-2
Molecular formulaC27H26N2O3
IUPAC name[(11R)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone
Molecular weight426.516
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
Synonyms(r)-(+)-[2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenylmethanone
CHEBI:73295
HQVHOQAKMCMIIM-HXUWFJFHSA-N
NCGC00016210-06
SCHEMBL118531
[ Show all ]
Inchi KeyHQVHOQAKMCMIIM-HXUWFJFHSA-N
Inchi IDInChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
PubChem CID5311501
ChEMBLCHEMBL188
IUPHAR733
BindingDB21281
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Activity47.1 %PMID17004712ChEMBL
Activity108.0 %PMID19921781ChEMBL
EC5010.0 nMPMID19921781BindingDB,ChEMBL
IC50430.0 nMPMID17582659BindingDB,ChEMBL
Ki0.14 nMPMID11160626BindingDB
Ki1.9 nMPMID16005223BindingDB,ChEMBL
Ki4.5 nMPMID11741470BindingDB,ChEMBL
Ki6.06 nMPMID19278853ChEMBL
Ki6.06 nMPMID19278853BindingDB
Ki9.9 nMPMID16078824BindingDB,ChEMBL
Ki11.0 nMPMID10991998BindingDB
Ki14.0 nMPMID23350768, PMID10991998BindingDB
Ki14.4 nMPMID23350768ChEMBL
Ki15.6 nMPMID22738271BindingDB,ChEMBL
Ki24.0 nMPMID11408610BindingDB
Ki29.0 nMPMID10991998BindingDB
Ki36.0 nMPMID24125850ChEMBL
Ki42.0 nMPMID10991998BindingDB
Ki130.0 nMPMID10991998BindingDB
Ki170.0 nMPMID10991998BindingDB
Ki250.0 nMPMID10991998BindingDB
Ki912011000.0 nMPMID9804691ChEMBL

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