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GPCR

NameKappa-type opioid receptor
SpeciesMus musculus (Mouse)
GeneOprk1
SynonymMSL-1
KOR-1
KOPr
KOP
Kappa receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProtP33534
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4329
IUPHAR318
DrugBankN/A

Ligand

NameCHEMBL2418739
Molecular formulaC18H23NO3
IUPAC name(4R,4aR,6R,7S,7aR,12bS)-3,6-dimethyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular weight301.386
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.3
SynonymsSCHEMBL16698289
Inchi KeyDSQWJPSUVUVXPZ-CHBFXNIQSA-N
Inchi IDInChI=1S/C18H23NO3/c1-9-7-11-12-8-10-3-4-13(20)16-14(10)18(11,5-6-19(12)2)17(22-16)15(9)21/h3-4,9,11-12,15,17,20-21H,5-8H2,1-2H3/t9-,11+,12-,15+,17+,18+/m1/s1
PubChem CID71819401
ChEMBLCHEMBL2418739
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501600.0 nMPMID23880538ChEMBL
Inhibition62.0 %PMID23880538ChEMBL

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