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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

NameCHEMBL90463
Molecular formulaC20H29NO2
IUPAC name(9R,10R)-17-(2-ethoxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-ol
Molecular weight315.457
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.3
SynonymsMCL-109
BDBM50105481
17-(2-ethoxyethyl)-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-ol
Inchi KeyAKYMKOCEELSTOI-ABZYKWASSA-N
Inchi IDInChI=1S/C20H29NO2/c1-2-23-12-11-21-10-9-20-8-4-3-5-18(20)19(21)14-15-13-16(22)6-7-17(15)20/h6-7,13,18-19,22H,2-5,8-12,14H2,1H3/t18-,19+,20?/m0/s1
PubChem CID44325125
ChEMBLCHEMBL90463
IUPHARN/A
BindingDB50105481
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.33 nMPMID11591513ChEMBL
Ki0.33 nMPMID11591513BindingDB

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