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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

NameCHEMBL139081
Molecular formulaC20H20BrNS
IUPAC name5-(3-bromophenyl)-3-ethyl-1,2,4,5-tetrahydro-[1]benzothiolo[2,3-d]azepine
Molecular weight386.351
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP5.8
SynonymsSCHEMBL8504900
BDBM50067816
9-(3-Bromo-phenyl)-7-ethyl-6,7,8,9-tetrahydro-5H-10-thia-7-aza-benzo[a]azulene
Inchi KeyAZJLNNJMUCJPAO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20BrNS/c1-2-22-11-10-17-16-8-3-4-9-19(16)23-20(17)18(13-22)14-6-5-7-15(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3
PubChem CID11794523
ChEMBLCHEMBL139081
IUPHARN/A
BindingDB50067816
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5012500.0 nMPMID9804688BindingDB,ChEMBL

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