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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

NameCHEMBL604522
Molecular formulaC21H25NO4
IUPAC name(1S,5R,13S,17R)-17-[cyclopropylmethyl(methyl)amino]-8-hydroxy-6,16-dioxapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11-trien-4-one
Molecular weight355.434
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
SynonymsCHEMBL1198453
BDBM50310292
Inchi KeyAFQDTMLOPHOESA-MBPVOVBZSA-N
Inchi IDInChI=1S/C21H25NO4/c1-22(11-12-2-3-12)16-10-13-4-5-14(23)18-17(13)20-8-9-25-21(16,20)7-6-15(24)19(20)26-18/h4-5,12,16,19,23H,2-3,6-11H2,1H3/t16-,19+,20+,21-/m1/s1
PubChem CID46232163
ChEMBLN/A
IUPHARN/A
BindingDB50310292
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID20056539BindingDB

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