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GPCR

NameKappa-type opioid receptor
SpeciesRattus norvegicus (Rat)
GeneOprk1
SynonymK-OR-1
kappa receptor
KOP
KOPr
KOR-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMESPIQIFRGEPGPTCAPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAVLSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProtP34975
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3614
IUPHAR318
DrugBankN/A

Ligand

NameCHEMBL75223
Molecular formulaC18H25N3O3
IUPAC nameN-[(2S)-1-(2,5-dihydropyrrol-1-yl)-3-methylbutan-2-yl]-N-methyl-2-(4-nitrophenyl)acetamide
Molecular weight331.416
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.8
SynonymsN-[(S)-1-(3-Pyrroline-1-ylmethyl)-2-methylpropyl]-N-methyl-4-nitrobenzeneacetamide
Inchi KeyCZRAMINBBGMXAA-QGZVFWFLSA-N
Inchi IDInChI=1S/C18H25N3O3/c1-14(2)17(13-20-10-4-5-11-20)19(3)18(22)12-15-6-8-16(9-7-15)21(23)24/h4-9,14,17H,10-13H2,1-3H3/t17-/m1/s1
PubChem CID44313848
ChEMBLCHEMBL75223
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition80.0 %PMID12161117ChEMBL

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