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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

NameCHEMBL110190
Molecular formulaC22H26Cl2N2OS
IUPAC name2-(3,4-dichlorophenyl)-N-methyl-N-[1-(4-methylsulfanylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
Molecular weight437.423
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.1
Synonyms2-(3,4-Dichloro-phenyl)-N-methyl-N-[1-(4-methylsulfanyl-phenyl)-2-pyrrolidin-1-yl-ethyl]-acetamide
BDBM50007373
3,4-Dichloro-N-methyl-N-[1-(4-methylthiophenyl)-2-(1-pyrrolidinyl)ethyl]benzeneacetamide
Inchi KeyBHKMFILYWFYRAV-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26Cl2N2OS/c1-25(22(27)14-16-5-10-19(23)20(24)13-16)21(15-26-11-3-4-12-26)17-6-8-18(28-2)9-7-17/h5-10,13,21H,3-4,11-12,14-15H2,1-2H3
PubChem CID15130856
ChEMBLCHEMBL110190
IUPHARN/A
BindingDB50007373
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ke13.8 nMPMID1659636ChEMBL
Potency ratio0.48 -PMID1659636ChEMBL

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