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GPCR

NameCannabinoid receptor 1
SpeciesMus musculus (Mouse)
GeneCnr1
SynonymSKR6R
Neuronal cannabinoid receptor
Central cannabinoid receptor
CB1R
CB1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length473
Amino acid sequenceMKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEDNIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProtP47746
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3037
IUPHAR56
DrugBankN/A

Ligand

NameCHEMBL3331457
Molecular formulaC20H18Cl2N4OS
IUPAC name3-(2,4-dichlorophenyl)-11-methyl-N-pyrrolidin-1-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene-5-carboxamide
Molecular weight433.351
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50058505
Inchi KeyJRSWOHBUHKRXPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18Cl2N4OS/c1-11-10-28-16-9-13-18(20(27)24-25-6-2-3-7-25)23-26(19(13)17(11)16)15-5-4-12(21)8-14(15)22/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,24,27)
PubChem CID118713746
ChEMBLCHEMBL3331457
IUPHARN/A
BindingDB50058505
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4731.0 nMPMID25134064BindingDB,ChEMBL

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