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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

NameKUC105575N
Molecular formulaC21H18N4S
IUPAC name2-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)pyridine
Molecular weight358.463
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
Synonyms2-[4-benzyl-5-(benzylthio)-4H-1,2,4-triazol-3-yl]pyridine
2-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)pyridine
BDBM75413
2-[4-benzyl-5-(benzylsulfanyl)-4h-1,2,4-triazol-3-yl]pyridine
cid_11462495
[ Show all ]
Inchi KeyABVXSGQSIQXNHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18N4S/c1-3-9-17(10-4-1)15-25-20(19-13-7-8-14-22-19)23-24-21(25)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2
PubChem CID11462495
ChEMBLCHEMBL590844
IUPHARN/A
BindingDB75413
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<20000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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