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GPCR

NameKappa-type opioid receptor
SpeciesRattus norvegicus (Rat)
GeneOprk1
SynonymK-OR-1
kappa receptor
KOP
KOPr
KOR-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMESPIQIFRGEPGPTCAPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAVLSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProtP34975
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3614
IUPHAR318
DrugBankN/A

Ligand

NameCHEMBL269849
Molecular formulaC28H30O7
IUPAC namemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyl-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular weight478.541
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50372492
Inchi KeyDCDXFHSHVGTAIZ-BEMLAFAFSA-N
Inchi IDInChI=1S/C28H30O7/c1-27-11-9-19-26(32)35-21(17-10-12-34-15-17)14-28(19,2)24(27)23(30)18(13-20(27)25(31)33-3)22(29)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,24H,9,11,13-14H2,1-3H3/t18-,19+,20+,21+,24+,27+,28+/m1/s1
PubChem CID44457208
ChEMBLCHEMBL269849
IUPHARN/A
BindingDB50372492
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1375.0 nMPMID18293909BindingDB,ChEMBL

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