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GPCR

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymK-OR-1
KOR-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

NameCHEMBL3326359
Molecular formulaC22H25NO5
IUPAC name(1S,3S,4S,6R,7S)-3,6-bis(3-methoxyphenyl)-3,6-dimethyl-2,5,8-trioxa-10-azatricyclo[5.2.1.04,10]decane
Molecular weight383.444
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
Synonyms(2S,4R)-2,2abeta,4,4abeta,6,6abeta-Hexahydro-2,4-bis(3-methoxyphenyl)-2,4-dimethyl-1,3,5-trioxa-6b-azacyclopenta[cd]pentalene
BDBM50101310
Inchi KeyBISYCXYJFMIOEX-KGWSWXIGSA-N
Inchi IDInChI=1S/C22H25NO5/c1-21(14-7-5-9-16(11-14)24-3)19-23-18(13-26-19)27-22(2,20(23)28-21)15-8-6-10-17(12-15)25-4/h5-12,18-20H,13H2,1-4H3/t18-,19-,20-,21+,22-/m0/s1
PubChem CID102265762
ChEMBLCHEMBL3326359
IUPHARN/A
BindingDB50101310
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<1000.0 nMPMID25147605BindingDB,ChEMBL

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