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GPCR

NameKappa-type opioid receptor
SpeciesBos taurus (Bovine)
GeneOPRK1
SynonymK-OR-1
KOR-1
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMEPPVQIFRGEPGPTCSPSTCLPPNGSGWFPGWAEPDGNGSAGSEDVLLEPAHISPVILVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKVVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWILSSSVGISAIVLGGTKVREDMEVIECSLQFPDDDYSWWDLFMKVCVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTAHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYVREVDGVNKPV
UniProtQ2KIP6
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameBDBM86519
Molecular formulaC21H25NO5
IUPAC name(9-acetyloxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl) acetate
Molecular weight371.433
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.5
SynonymsNSC_11221
CAS_11221
Inchi KeyNCXVKLDKUADJPV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4,6,14-15,17,20H,5,7-10H2,1-3H3
PubChem CID9929347
ChEMBLN/A
IUPHARN/A
BindingDB86519
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki536.0 nMPMID15178355BindingDB

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