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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymK-OR-1
KOR-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

NameCHEMBL143800
Molecular formulaC23H25NO3
IUPAC name(8E)-5-(3-hydroxyphenyl)-8-[(4-methoxyphenyl)methylidene]-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
Molecular weight363.457
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.6
Synonyms5-(3-Hydroxy-phenyl)-8-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-2-methyl-2-aza-bicyclo[3.3.1]nonan-7-one
BDBM50029786
Inchi KeyABVYYLMONIBFMA-UDWIEESQSA-N
Inchi IDInChI=1S/C23H25NO3/c1-24-11-10-23(17-4-3-5-18(25)13-17)14-21(24)20(22(26)15-23)12-16-6-8-19(27-2)9-7-16/h3-9,12-13,21,25H,10-11,14-15H2,1-2H3/b20-12+
PubChem CID10713756
ChEMBLCHEMBL143800
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<500.0 nMPMID7490727ChEMBL

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