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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

NameCHEMBL595015
Molecular formulaC22H28N4O
IUPAC name1-[1-(4-tert-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
Molecular weight364.493
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50304077
(1-(4-tert-Butylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
Inchi KeyADMLFMJKRVLJPW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N4O/c1-22(2,3)17-10-12-18(13-11-17)26-21(23-20(24-26)15-25(4)5)16-8-7-9-19(14-16)27-6/h7-14H,15H2,1-6H3
PubChem CID46226536
ChEMBLCHEMBL595015
IUPHARN/A
BindingDB50304077
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID19646882BindingDB,ChEMBL

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