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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

NameCHEMBL355202
Molecular formulaC25H25N3O
IUPAC name8-[(1R)-1,2-dihydroacenaphthylen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight383.495
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
Synonyms(R)-Ro 65-6570
(R)-Ro65-6570
1-Phenyl-8-[(1R)-acenaphthen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one
8-(R)-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
8-[(1R)-1,2-dihydroacenaphthylen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
[ Show all ]
Inchi KeyBBOAHBVXCYBKLC-JOCHJYFZSA-N
Inchi IDInChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1
PubChem CID15512229
ChEMBLCHEMBL355202
IUPHAR8864
BindingDB50087698
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki20.0 nMPMID10782696BindingDB,ChEMBL

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