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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

NameCHEMBL76816
Molecular formulaC23H32N2O4
IUPAC name2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-hydroxy-3-(3-phenylpropoxy)propan-2-yl]propanamide
Molecular weight400.519
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.5
SynonymsBDBM50001845
2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[2-hydroxy-1-(3-phenyl-propoxymethyl)-ethyl]-propionamide
Inchi KeyDLPBBVPHWIOXTJ-LCQOSCCDSA-N
Inchi IDInChI=1S/C23H32N2O4/c1-16-11-20(27)12-17(2)21(16)13-22(24)23(28)25-19(14-26)15-29-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-12,19,22,26-27H,6,9-10,13-15,24H2,1-2H3,(H,25,28)/t19-,22?/m1/s1
PubChem CID44314456
ChEMBLN/A
IUPHARN/A
BindingDB50001845
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505900.0 nMPMID1346276BindingDB

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