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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

NameCHEMBL1642761
Molecular formulaC24H30N2
IUPAC name2-(cyclohexen-1-yl)-N-[[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]methyl]ethanamine
Molecular weight346.518
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50417602
Inchi KeyAARVZQPNWZBFDD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N2/c1-2-7-20(8-3-1)16-17-25-19-21-12-14-23(15-13-21)26-18-6-10-22-9-4-5-11-24(22)26/h4-5,7,9,11-15,25H,1-3,6,8,10,16-19H2
PubChem CID53321176
ChEMBLCHEMBL1642761
IUPHARN/A
BindingDB50417602
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki<3981.07 nMPMID21193310ChEMBL
Ki>3981.0 nMPMID21193310BindingDB

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