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GPCR

NameKappa-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRK1
SynonymK-OR-1
KOPr
OP2
KOP
KOR-1
[ Show all ]
DiseaseObesity
Opiate dependence
Inflammatory bowel disease
Erythema
Diarrhea-predominant IBS
[ Show all ]
Length380
Amino acid sequenceMDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProtP41145
Protein Data Bank6b73, 4djh
GPCR-HGmod modelP41145
3D structure modelThis structure is from PDB ID 6b73.
BioLiPBL0402244,BL0402246, BL0224693,BL0224694, BL0402243,BL0402245
Therapeutic Target DatabaseT60693
ChEMBLCHEMBL237
IUPHAR318
DrugBankBE0000632

Ligand

NameCHEMBL2205816
Molecular formulaC18H20N2O
IUPAC name5-(2-pyridin-2-ylethyl)-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol
Molecular weight280.371
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.8
SynonymsBDBM50401359
Inchi KeyABONQAUMSMWLEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2
PubChem CID71452384
ChEMBLCHEMBL2205816
IUPHARN/A
BindingDB50401359
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition>50.0 %PMID23981939, PMID22959245ChEMBL

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