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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

Namenaloxone
Molecular formulaC19H21NO4
IUPAC name(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight327.38
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.1
Synonyms(-)-N-allyl-14-hydroxynordihydroxymorphinan-6-one
(-)-Naloxone
(1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0;{1,13}.0;{5,17}.0;{7,18}]octadeca-7(18),8,10-trien-14-one
(1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
(4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride
[ Show all ]
Inchi KeyUZHSEJADLWPNLE-GRGSLBFTSA-N
Inchi IDInChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
PubChem CID5284596
ChEMBLCHEMBL80
IUPHAR1638, 1676
BindingDB50000788, 54795
DrugBankDB01183

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5050.0 nMPMID1335078, PMID1320121BindingDB,ChEMBL
Kd19.95 nMPMID8057274ChEMBL
Kd20.0 nMPMID8057274BindingDB
Ke16.0 nMPMID8410999, PMID2828619ChEMBL
Ki3.1 nMMedChemComm, (2016) 7:2:317ChEMBL
Ki3.17 nMPMID17420073BindingDB,ChEMBL
Ki3.2 nMPMID11495592BindingDB,ChEMBL
Ki3.8 nMPMID9686407BindingDB
Ki6.9 nMPMID24856182, PMID26411794BindingDB,ChEMBL
Ki7.3 nMPMID20441176, PMID25062506, PMID21481987BindingDB,ChEMBL
Ki12.0 nMPMID7932535BindingDB,ChEMBL
Ki15.0 nMPMID25062506BindingDB,ChEMBL
Ki66.0 nMPMID8410998, PMID8410999, PMID8057274BindingDB,ChEMBL

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