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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

NameCHEMBL105942
Molecular formulaC19H28Cl2N2O
IUPAC name2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]acetamide
Molecular weight371.346
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.9
Synonyms2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1-pyrrolidin-1-ylmethyl-butyl)-acetamide
BDBM50007374
3,4-Dichloro-N-methyl-N-[(1S)-1-(1-pyrrolidinylmethyl)-2-methylbutyl]benzeneacetamide
Inchi KeyDLIKNFBWOSJTBG-XPKAQORNSA-N
Inchi IDInChI=1S/C19H28Cl2N2O/c1-4-14(2)18(13-23-9-5-6-10-23)22(3)19(24)12-15-7-8-16(20)17(21)11-15/h7-8,11,14,18H,4-6,9-10,12-13H2,1-3H3/t14?,18-/m1/s1
PubChem CID15130832
ChEMBLCHEMBL105942
IUPHARN/A
BindingDB50007374
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ke22.2 nMPMID1659636ChEMBL
Potency ratio8.5 -PMID1659636ChEMBL

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