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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

NameCHEMBL382597
Molecular formulaC36H45N3O3
IUPAC name3-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(7R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-7-yl]propanamide
Molecular weight567.774
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP6.0
SynonymsN/A
Inchi KeyAJHLWUQDIIXEEO-MNJVNLEGSA-N
Inchi IDInChI=1S/C36H45N3O3/c1-26-24-39(17-7-10-27-8-3-2-4-9-27)31-21-30(22-36(26,23-31)29-12-6-13-32(40)20-29)37-35(42)16-19-38-18-15-33-28(25-38)11-5-14-34(33)41/h2-6,8-9,11-14,20,26,30-31,40-41H,7,10,15-19,21-25H2,1H3,(H,37,42)/t26?,30-,31?,36?/m0/s1
PubChem CID44408410
ChEMBLCHEMBL382597
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ke0.07 nMPMID16509593ChEMBL

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