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GPCR

NameKappa-type opioid receptor
SpeciesRattus norvegicus (Rat)
GeneOprk1
SynonymK-OR-1
kappa receptor
KOP
KOPr
KOR-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMESPIQIFRGEPGPTCAPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAVLSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProtP34975
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3614
IUPHAR318
DrugBankN/A

Ligand

NameU-69593
Molecular formulaC22H32N2O2
IUPAC nameN-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
Molecular weight356.51
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.0
SynonymsDSSTox_RID_81542
N-methyl-2-phenyl-N-((5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl)acetamide
NCGC00163179-01
U 69,593
ZINC2517042
[ Show all ]
Inchi KeyPGZRDDYTKFZSFR-ONTIZHBOSA-N
Inchi IDInChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PubChem CID105104
ChEMBLCHEMBL440765
IUPHAR1656, 1655
BindingDB21130
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC507.7 nMPMID25221662ChEMBL
Emax202.0 %PMID25221662ChEMBL
IC500.63 nMPMID9873480BindingDB
IC500.63 nMPMID9873480ChEMBL
Kd1.0 nMPMID25593096ChEMBL
Kd1.0 nMPMID25593096BindingDB
Ki1.4 nMPMID10753461ChEMBL
Ki1.99526 - 10.0 nMPMID8240267, PMID8234341IUPHAR
Ki2.0 nMPMID10753461ChEMBL
Ki2.4 nMPMID10753461ChEMBL
Ki3.0 nMPMID10753461ChEMBL
Ki5.7 nMPMID25221662ChEMBL
Ki6.65 nMPMID7562497BindingDB
Ki252.8 nMPMID9700760BindingDB
Ki443.0 nMPMID12887410BindingDB
Ki591.3 nMPMID9700760BindingDB

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