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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

NameCHEMBL109115
Molecular formulaC20H32N2O
IUPAC nameN-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenyl-N-propylacetamide
Molecular weight316.489
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.1
SynonymsN-(2-Methyl-1-pyrrolidin-1-ylmethyl-propyl)-2-phenyl-N-propyl-acetamide
2-(Phenyl)-N-propyl-N-[(S)-2-methyl-1-(1-pyrrolidinylmethyl)propyl]acetamide
BDBM50007339
Inchi KeyBJHZCCULJAFEHN-LJQANCHMSA-N
Inchi IDInChI=1S/C20H32N2O/c1-4-12-22(20(23)15-18-10-6-5-7-11-18)19(17(2)3)16-21-13-8-9-14-21/h5-7,10-11,17,19H,4,8-9,12-16H2,1-3H3/t19-/m1/s1
PubChem CID44337142
ChEMBLCHEMBL109115
IUPHARN/A
BindingDB50007339
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency ratio0.021 -PMID1659636ChEMBL

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