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GPCR

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymKOR-1
K-OR-1
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProtP41144
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3952
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL572875
Molecular formulaC26H45N3
IUPAC name(2R)-N-benzyl-2-[(3R)-4-(2-cyclopentylethyl)-3-propan-2-ylpiperazin-1-yl]-3-methylbutan-1-amine
Molecular weight399.667
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.5
Synonyms(R)-N-benzyl-2-((R)-4-(2-cyclopentylethyl)-3-isopropylpiperazin-1-yl)-3-methylbutan-1-amine
BDBM50298880
Inchi KeyAVRAEXAPKKMLGI-UIOOFZCWSA-N
Inchi IDInChI=1S/C26H45N3/c1-21(2)25(19-27-18-24-12-6-5-7-13-24)29-17-16-28(26(20-29)22(3)4)15-14-23-10-8-9-11-23/h5-7,12-13,21-23,25-27H,8-11,14-20H2,1-4H3/t25-,26-/m0/s1
PubChem CID45482246
ChEMBLCHEMBL572875
IUPHARN/A
BindingDB50298880
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID19576786BindingDB,ChEMBL
IC501000.0 nMPMID19576786ChEMBL

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