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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

NameCHEMBL125742
Molecular formulaC23H31N3O2
IUPAC nameN,N-diethyl-4-[(3-methoxyphenyl)-piperazin-1-ylmethyl]benzamide
Molecular weight381.52
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50092671
N,N-Diethyl-4-(alpha-piperazino-3-methoxybenzyl)benzamide
N,N-Diethyl-4-[(3-methoxy-phenyl)-piperazin-1-yl-methyl]-benzamide
Inchi KeyABHGGPDVTGXLFS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N3O2/c1-4-25(5-2)23(27)19-11-9-18(10-12-19)22(26-15-13-24-14-16-26)20-7-6-8-21(17-20)28-3/h6-12,17,22,24H,4-5,13-16H2,1-3H3
PubChem CID11794240
ChEMBLCHEMBL125742
IUPHARN/A
BindingDB50092671
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID11052793BindingDB,ChEMBL

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