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GPCR

NameCannabinoid receptor 1
SpeciesTaeniopygia guttata (Zebra finch)
GeneCNR1
SynonymCB-R
CB1
DiseaseN/A for non-human GPCRs
Length473
Amino acid sequenceMKSILDGLADTTFRTITTDLLYVGSNDIQYEDMKGDMASKLGYYPQKFPLSSFRGDPFQEKMTGGDDSLLSIIPSEQVNITEFYNKSLSTFKDNEENIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCVMWTIAIVIAVLPLLGWNCKKLNSVCSDIFPLIDETYLMFWIGVTSILLLFIVYAYMYILWKAHSHAVRMLQRGTQKSIIIQSTEDGKVQITRPDQTRMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTIFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPTCEGTAQPLDNSMESDCQHKHANNAGNVHRAAESCIKSTVKIAKVTMSVSTDTTAEAL
UniProtP56971
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameWin-55212-2
Molecular formulaC27H26N2O3
IUPAC name[(11R)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone
Molecular weight426.516
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsNCGC00016210-08
Win 55,212
WIN55212-2
(11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphthalen-1-ylcarbonyl)-9-oxa-1-azatricyclo[6.3.1.0^{4,12}]dodeca-2,4(12),5,7-tetraene
131543-22-1
[ Show all ]
Inchi KeyHQVHOQAKMCMIIM-HXUWFJFHSA-N
Inchi IDInChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
PubChem CID5311501
ChEMBLCHEMBL188
IUPHAR733
BindingDB21281
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki63.3 nMPMID11259544BindingDB

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