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GPCR

NameKappa-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRK1
SynonymKappa receptor
KOR-1
K-OR-1
OP2
KOPr
[ Show all ]
DiseaseUnspecified
Substance dependence
Pain
Opiate dependence
Obesity
[ Show all ]
Length380
Amino acid sequenceMDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProtP41145
Protein Data Bank6b73, 4djh
GPCR-HGmod modelP41145
3D structure modelThis structure is from PDB ID 6b73.
BioLiPBL0402243,BL0402245, BL0402244,BL0402246, BL0224693,BL0224694
Therapeutic Target DatabaseT60693
ChEMBLCHEMBL237
IUPHAR318
DrugBankBE0000632

Ligand

NameCHEMBL3809808
Molecular formulaC26H29NO2
IUPAC name(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-phenyl-3,4-dihydro-2H-naphthalen-1-ol
Molecular weight387.523
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50174108
Inchi KeyAEZZBALZRVGGDH-BVAGGSTKSA-N
Inchi IDInChI=1S/C26H29NO2/c1-27(2)18-23-14-12-21-16-20(19-8-5-4-6-9-19)13-15-25(21)26(23,28)22-10-7-11-24(17-22)29-3/h4-11,13,15-17,23,28H,12,14,18H2,1-3H3/t23-,26+/m1/s1
PubChem CID127043062
ChEMBLCHEMBL3809808
IUPHARN/A
BindingDB50174108
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition37.0 %PMID27096047ChEMBL

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