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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

NameNorbinaltorphimine
Molecular formulaC40H43N3O6
IUPAC name(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol
Molecular weight661.799
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP3.2
Synonymsnor-Binaltorphimine
Nor-bni
NorBNI
UNII-36OOQ86QM1
36OOQ86QM1
[ Show all ]
Inchi KeyAPSUXPSYBJVPPS-YAUKWVCOSA-N
Inchi IDInChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PubChem CID5480230
ChEMBLCHEMBL573214
IUPHAR1642
BindingDB82551
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Fana1.0 -PMID9836606ChEMBL
Fmut9.3 -PMID9836606ChEMBL
Fmut123.0 -PMID9836606ChEMBL
Fmut800.0 -PMID9836606ChEMBL
Ki0.0199526 - 0.251189 nMPMID8240267, PMID8240268, PMID8234341IUPHAR
Ki0.07 nMPMID11300867BindingDB,ChEMBL
Ki0.12 nMPMID9836606BindingDB,ChEMBL
Ki0.24 nMPMID11300867BindingDB,ChEMBL
Ki0.244 nMPMID10893314ChEMBL
Ki0.77 nMPMID9836606BindingDB
Ki0.77 nMPMID9836606ChEMBL
Ki1.39 nMPMID11300867BindingDB,ChEMBL
Ki12.5 nMPMID9836606ChEMBL
Ki13.0 nMPMID9836606BindingDB

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