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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

NameCHEMBL611697
Molecular formulaC25H24N2O3
IUPAC name(1S,2S,13R,21R)-22-prop-1-en-2-yl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Molecular weight400.478
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.7
SynonymsN/A
Inchi KeyAQESDYHCPQZRRJ-LJYZBVLISA-N
Inchi IDInChI=1S/C25H24N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,1,9-12H2,2H3/t19-,23+,24+,25-/m1/s1
PubChem CID46877801
ChEMBLCHEMBL611697
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
Ki740.0 nMPMID11311071ChEMBL
Ki3800.0 nMPMID11311071ChEMBL

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