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GPCR

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymKOR-1
K-OR-1
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProtP41144
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3952
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3326662
Molecular formulaC33H50N6OS2
IUPAC name1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-[methyl-[(2S)-1-[(5S)-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-1-yl]-3-phenylpropan-2-yl]amino]ethyl]imidazolidine-2-thione
Molecular weight610.924
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50102073
Inchi KeyADAXCPMJPLKMTK-DTXPUJKBSA-N
Inchi IDInChI=1S/C33H50N6OS2/c1-25(2)19-28-22-34-32(41)39(28)24-30(21-26-9-7-6-8-10-26)36(5)15-16-37-17-18-38(33(37)42)23-29(35(3)4)20-27-11-13-31(40)14-12-27/h6-14,25,28-30,40H,15-24H2,1-5H3,(H,34,41)/t28-,29-,30-/m0/s1
PubChem CID118711771
ChEMBLCHEMBL3326662
IUPHARN/A
BindingDB50102073
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki2300.0 nMPMID25168746BindingDB,ChEMBL

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