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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

NameCHEMBL170594
Molecular formulaC24H33N3O3
IUPAC name(2S)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]propanamide
Molecular weight411.546
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM50453629
Inchi KeyBDESELADPKLTQU-GCJKJVERSA-N
Inchi IDInChI=1S/C24H33N3O3/c1-16-13-20(30-4)14-17(2)21(16)15-22(25)24(29)27-18(3)23(28)26-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-14,18,22H,8,11-12,15,25H2,1-4H3,(H,26,28)(H,27,29)/t18-,22+/m1/s1
PubChem CID10251078
ChEMBLCHEMBL170594
IUPHARN/A
BindingDB50453629
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5019763.0 nMPMID7908696BindingDB,ChEMBL

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