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GPCR

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymK-OR-1
KOR-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

NameCHEMBL300832
Molecular formulaC33H41BrN2O5S2
IUPAC name3-bromo-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-thiatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-7-carboxamide;4-methylbenzenesulfonic acid
Molecular weight689.724
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyAIMWFNWWJCDYBJ-BQMNXBBOSA-N
Inchi IDInChI=1S/C26H33BrN2O2S.C7H8O3S/c1-28(20-10-12-26(11-5-15-31-26)16-21(20)29-13-2-3-14-29)25(30)18-8-9-19-23-17(18)6-4-7-22(23)32-24(19)27;1-6-2-4-7(5-3-6)11(8,9)10/h4,6-7,18,20-21H,2-3,5,8-16H2,1H3;2-5H,1H3,(H,8,9,10)/t18?,20-,21-,26?;/m0./s1
PubChem CID44300700
ChEMBLCHEMBL300832
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Ki222.0 nMPMID1846919ChEMBL
Ki272.0 nMPMID1846919ChEMBL
Ratio14.0 -PMID1846919ChEMBL
Ratio16.0 -PMID1846919ChEMBL

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