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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

NameCHEMBL560747
Molecular formulaC25H30BrClN4S
IUPAC name4-N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-N-butyl-2-methylsulfanylpyrimidine-4,6-diamine
Molecular weight533.957
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP8.4
SynonymsBDBM50298084
N4-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-N6-butyl-2-(methylthio)pyrimidine-4,6-diamine
Inchi KeyAOPVMCZBSCHIFZ-HTAPYJJXSA-N
Inchi IDInChI=1S/C25H30BrClN4S/c1-4-5-13-28-23-16-24(31-25(30-23)32-3)29-17(2)22(19-7-6-8-20(26)15-19)14-18-9-11-21(27)12-10-18/h6-12,15-17,22H,4-5,13-14H2,1-3H3,(H2,28,29,30,31)/t17-,22+/m0/s1
PubChem CID45268629
ChEMBLCHEMBL560747
IUPHARN/A
BindingDB50298084
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5069.6 nMPMID19596576BindingDB,ChEMBL

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