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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

NameCHEMBL108344
Molecular formulaC21H22Cl2N2O
IUPAC name2-(3,4-dichlorophenyl)-N-[(1S)-2-(2,5-dihydropyrrol-1-yl)-1-phenylethyl]-N-methylacetamide
Molecular weight389.32
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.4
Synonyms2-(3,4-Dichloro-phenyl)-N-[2-(2,5-dihydro-pyrrol-1-yl)-1-phenyl-ethyl]-N-methyl-acetamide
BDBM50007340
Inchi KeyAHJJCDWRBWUNDK-HXUWFJFHSA-N
Inchi IDInChI=1S/C21H22Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-10,13,20H,11-12,14-15H2,1H3/t20-/m1/s1
PubChem CID15130829
ChEMBLCHEMBL108344
IUPHARN/A
BindingDB50007340
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ke26.1 nMPMID1659636ChEMBL
Potency ratio40.9 -PMID1659636ChEMBL

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