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GPCR

NameKappa-type opioid receptor
SpeciesMus musculus (Mouse)
GeneOprk1
SynonymMSL-1
KOR-1
KOPr
KOP
Kappa receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProtP33534
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4329
IUPHAR318
DrugBankN/A

Ligand

NameCHEMBL107358
Molecular formulaC15H22Cl2N2O
IUPAC name2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-(methylamino)butan-2-yl]acetamide
Molecular weight317.254
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.5
Synonyms2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1-methylaminomethyl-propyl)-acetamide
3,4-Dichloro-N-methyl-N-[(S)-2-methyl-1-methylaminomethylpropyl]benzeneacetamide
BDBM50007348
Inchi KeyAVOVCWHTBKAYRG-CQSZACIVSA-N
Inchi IDInChI=1S/C15H22Cl2N2O/c1-10(2)14(9-18-3)19(4)15(20)8-11-5-6-12(16)13(17)7-11/h5-7,10,14,18H,8-9H2,1-4H3/t14-/m1/s1
PubChem CID15130822
ChEMBLCHEMBL107358
IUPHARN/A
BindingDB50007348
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency ratio0.003 -PMID1659636ChEMBL

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