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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

NameCHEMBL485153
Molecular formulaC27H27Cl3N6O2
IUPAC name3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-4-carboxamide
Molecular weight573.903
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.0
SynonymsSCHEMBL4298600
3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-1H-pyrazole-4-carboxamide
BDBM50278076
Inchi KeyBGTFBSXIYRTJTN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27Cl3N6O2/c1-27(2,3)26-32-31-25(38-26)22-21(24(37)34-35-13-5-4-6-14-35)23(16-7-9-17(28)10-8-16)36(33-22)20-12-11-18(29)15-19(20)30/h7-12,15H,4-6,13-14H2,1-3H3,(H,34,37)
PubChem CID44247731
ChEMBLCHEMBL485153
IUPHARN/A
BindingDB50278076
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
IC5017.2 nMPMID19269817BindingDB,ChEMBL

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