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GPCR

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymKOR-1
K-OR-1
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProtP41144
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3952
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL296304
Molecular formulaC18H22N2
IUPAC name(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carbonitrile
Molecular weight266.388
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.2
Synonyms3-Cyano-N-methylmorphinan
BDBM50137999
ZINC13532313
Inchi KeyAGLRKZPEAXCOCK-CGTJXYLNSA-N
Inchi IDInChI=1S/C18H22N2/c1-20-9-8-18-7-3-2-4-15(18)17(20)11-14-6-5-13(12-19)10-16(14)18/h5-6,10,15,17H,2-4,7-9,11H2,1H3/t15-,17+,18+/m0/s1
PubChem CID44293140
ChEMBLCHEMBL296304
IUPHARN/A
BindingDB50137999
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki200.0 nMPMID14695830BindingDB,ChEMBL

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