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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

NameCHEMBL70311
Molecular formulaC23H28Cl2N2O3
IUPAC name2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-3-methylidene-2-oxo-8-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-7-yl]acetamide
Molecular weight451.388
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50000781
2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-methylene-2-oxo-8-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-7-yl)-acetamide
2-(3,4-Dichlorophenyl)-N-methyl-N-[(5R)-3-methylene-2-oxo-8beta-(1-pyrrolidinyl)-1-oxaspiro[4.5]decan-7alpha-yl]acetamide
Inchi KeyAIGXNGMYDUNNBN-SXWKCWPCSA-N
Inchi IDInChI=1S/C23H28Cl2N2O3/c1-15-13-23(30-22(15)29)8-7-19(27-9-3-4-10-27)20(14-23)26(2)21(28)12-16-5-6-17(24)18(25)11-16/h5-6,11,19-20H,1,3-4,7-10,12-14H2,2H3/t19-,20-,23+/m0/s1
PubChem CID15177774
ChEMBLCHEMBL70311
IUPHARN/A
BindingDB50000781
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Control44.0 %PMID1319495ChEMBL
Control74.0 %PMID1319495ChEMBL
Control86.0 %PMID1319495ChEMBL
Control93.0 %PMID1319495ChEMBL
Ki1100.0 nMPMID1319495BindingDB,ChEMBL

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