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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

NameCHEMBL385057
Molecular formulaC23H28FN3O2
IUPAC nameN-cyclohexyl-1-[(2-fluorophenyl)methyl]-4-hydroxy-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-3-carboxamide
Molecular weight397.494
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50195510
N-cyclohexyl-1-(o-fluorbenzyl)-4-hydroxy-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-3-carboxamide
Inchi KeyFXSJUTZQWVZGTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28FN3O2/c1-15-11-12-18-21(28)19(23(29)26-17-8-3-2-4-9-17)14-27(22(18)25-15)13-16-7-5-6-10-20(16)24/h5-7,10-12,17,19,21,28H,2-4,8-9,13-14H2,1H3,(H,26,29)
PubChem CID16086884
ChEMBLCHEMBL385057
IUPHARN/A
BindingDB50195510
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<1000.0 nMPMID17004710BindingDB,ChEMBL

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