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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

NameCHEMBL337272
Molecular formulaC30H39NO4
IUPAC name(4S,4aR,10aS)-5,6-dimethoxy-4-methyl-10-(methylamino)-10a-(3-phenylpropoxy)-4a-propyl-9,10-dihydro-4H-phenanthren-3-one
Molecular weight477.645
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50133223
3,4-dimethoxy-14,17-dimethyl-10-(3-phenylpropoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Inchi KeyFMSQTVFOKMCRNQ-ZMXNWCQNSA-N
Inchi IDInChI=1S/C30H39NO4/c1-6-17-29-21(2)24(32)16-18-30(29,35-19-10-13-22-11-8-7-9-12-22)26(31-3)20-23-14-15-25(33-4)28(34-5)27(23)29/h7-9,11-12,14-16,18,21,26,31H,6,10,13,17,19-20H2,1-5H3/t21-,26?,29-,30-/m1/s1
PubChem CID44354972
ChEMBLCHEMBL337272
IUPHARN/A
BindingDB50133223
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki2.26 nMPMID12954070BindingDB,ChEMBL

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