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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

NameCHEMBL605757
Molecular formulaC25H23Cl3N6O
IUPAC name5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazole-3-carboxamide
Molecular weight529.85
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.5
SynonymsBDBM50309975
4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-N-cyclohexyl-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxamide
Inchi KeyBFLRUXLFRXIHPT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23Cl3N6O/c26-17-8-6-16(7-9-17)24-20(13-33-15-29-14-30-33)23(25(35)31-19-4-2-1-3-5-19)32-34(24)22-11-10-18(27)12-21(22)28/h6-12,14-15,19H,1-5,13H2,(H,31,35)
PubChem CID46231251
ChEMBLCHEMBL605757
IUPHARN/A
BindingDB50309975
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
IC503.77 nMPMID20045337BindingDB,ChEMBL

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