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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

NameDAMGO
Molecular formulaC26H35N5O6
IUPAC name(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Molecular weight513.595
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP0.2
SynonymsSCHEMBL725750
Tyr-D-Ala-Gly-N-Methyl-Phe-Gly-ol
[tyrosyl-3,5-3H(N)]-D-Ala2-Mephe4-glyol5-enkephalin
(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-N-methylacetamido}-N-(2-hydroxyethyl)-3-phenylpropanamide
83314-80-1
[ Show all ]
Inchi KeyHPZJMUBDEAMBFI-WTNAPCKOSA-N
Inchi IDInChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
PubChem CID5462471
ChEMBLCHEMBL38874
IUPHAR1647
BindingDB21015
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity100.0 %PMID21866885ChEMBL
EC504000.0 nMPMID23880538ChEMBL
EC504365.0 nMPMID12672258BindingDB,ChEMBL
ED508940.0 nMPMID20055417ChEMBL
Emax69.0 %PMID20055417ChEMBL
Inhibition66.0 %PMID23880538ChEMBL
Ki<1000.0 nMPMID12699761BindingDB,ChEMBL
Ki<2000.0 nMPMID15380196BindingDB,ChEMBL
Ki<10000.0 nMPMID9651168BindingDB,ChEMBL
Ki18.3 nMPMID7932177BindingDB
Ki270.0 nMPMID26125201BindingDB,ChEMBL
Ki305.0 nMPMID12672258BindingDB,ChEMBL
Ki305.5 nMPMID9686407BindingDB
Ki306.0 nMPMID21866885BindingDB,ChEMBL
Ki316.228 nMPMID9686407IUPHAR
Ki1000.0 nMPMID8114680BindingDB
Stimulation62.0 %PMID12672258ChEMBL

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