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GPCR

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymK-OR-1
KOR-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

NameCHEMBL25493
Molecular formulaC18H24Cl2N2O
IUPAC name2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide
Molecular weight355.303
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50017074
2-(3,4-Dichloro-phenyl)-N-(1-methyl-1-aza-spiro[4.5]dec-6-yl)-acetamide
Inchi KeyACJWWDOSBNCLFC-FUHWJXTLSA-N
Inchi IDInChI=1S/C18H24Cl2N2O/c1-22-10-4-9-18(22)8-3-2-5-16(18)21-17(23)12-13-6-7-14(19)15(20)11-13/h6-7,11,16H,2-5,8-10,12H2,1H3,(H,21,23)/t16-,18+/m0/s1
PubChem CID14548227
ChEMBLCHEMBL25493
IUPHARN/A
BindingDB50017074
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID2542556BindingDB,ChEMBL

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