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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

NameUNII-F156J3SXVX
Molecular formulaC23H31N3O3
IUPAC name(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]propanamide
Molecular weight397.519
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.1
Synonyms(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(R)-1-(3-phenyl-propylcarbamoyl)-ethyl]-propionamide
123689-66-7
2,6-Dimethyl-L-tyrosyl-N-(3-phenylpropyl)-D-alaninamide
2,6-Dimethyltyrosyl-N-(3-phenylpropyl)alaninamide
2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-(3-phenyl-propylcarbamoyl)-ethyl]-propionamide
[ Show all ]
Inchi KeyDGIVTTGQFOQCPP-UTKZUKDTSA-N
Inchi IDInChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21+/m1/s1
PubChem CID9824220
ChEMBLCHEMBL311145
IUPHARN/A
BindingDB50001850
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50380.0 nMPMID1346276BindingDB,ChEMBL
Ratio2923.0 -PMID1346276ChEMBL

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