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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

NameCHEMBL81355
Molecular formulaC29H26N2O3
IUPAC name(2S,21R)-22-benzyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Molecular weight450.538
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.1
SynonymsBDBM50093783
[1,5-3H]-17-Benzyl-6,7-dehydro-4,5a -epoxy-3,14-dihydroxy-6,7-2,3-indolo-morphinan
Inchi KeyDAPVKCQHHYNRTJ-DDFVDHOESA-N
Inchi IDInChI=1S/C29H26N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h1-11,23,27,30,32-33H,12-16H2/t23-,27?,28?,29-/m1/s1
PubChem CID44460383
ChEMBLCHEMBL81355
IUPHARN/A
BindingDB50093783
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki134.0 nMPMID11078198BindingDB,ChEMBL

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