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GPCR

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymKOR-1
K-OR-1
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProtP41144
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3952
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1089542
Molecular formulaC25H35N5O
IUPAC nameN-[[3-[(diaminomethylideneamino)methyl]phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Molecular weight421.589
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50314880
N-(3-(guanidinomethyl)benzyl)-N-(1-phenethylpiperidin-4-yl)propionamide
Inchi KeyAQTLLNFIIZDSEL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H35N5O/c1-2-24(31)30(19-22-10-6-9-21(17-22)18-28-25(26)27)23-12-15-29(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23H,2,11-16,18-19H2,1H3,(H4,26,27,28)
PubChem CID46884841
ChEMBLCHEMBL1089542
IUPHARN/A
BindingDB50314880
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.536 nMPMID20218625BindingDB,ChEMBL

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