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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

NameCHEMBL3354959
Molecular formulaC20H21F2N3O2
IUPAC name(2R,4R)-9-(2,4-difluorophenyl)-N-(oxan-4-ylmethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
Molecular weight373.404
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50040986
Inchi KeyBIMFLDLUJSAALT-TZMCWYRMSA-N
Inchi IDInChI=1S/C20H21F2N3O2/c21-13-1-2-17(16(22)9-13)25-19-14-7-12(14)8-15(19)18(24-25)20(26)23-10-11-3-5-27-6-4-11/h1-2,9,11-12,14H,3-8,10H2,(H,23,26)/t12-,14-/m1/s1
PubChem CID118720569
ChEMBLCHEMBL3354959
IUPHARN/A
BindingDB50040986
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<30000.0 nMPMID25488844BindingDB,ChEMBL

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