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GPCR

NameDelta-type opioid receptor
SpeciesRattus norvegicus (Rat)
GeneOprd1
Synonymopioid receptor
OP1
DOR-1
DOR
DOPr
[ Show all ]
DiseaseN/A for non-human GPCRs
Length372
Amino acid sequenceMEPVPSARAELQFSLLANVSDTFPSAFPSASANASGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTQPRDGAVVCTLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRAPCGGQEPGSLRRPRQATARERVTACTPSDGPGGGAAA
UniProtP33533
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL269
IUPHAR317
DrugBankN/A

Ligand

Namemorphine
Molecular formulaC17H19NO3
IUPAC name(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular weight285.343
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP0.8
SynonymsRMS Uniserts
DEA No. 9300
Duramorph
(1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraene-10,14-diol
Hocus
[ Show all ]
Inchi KeyBQJCRHHNABKAKU-KBQPJGBKSA-N
Inchi IDInChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
PubChem CID5288826
ChEMBLCHEMBL70
IUPHAR1627
BindingDB50000092
DrugBankDB00295

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity1220.0 nMPMID8390575ChEMBL
IC507.37 nMPMID7739011ChEMBL
IC507.4 nMPMID7739011BindingDB
IC50205.0 nMPMID1851843BindingDB,ChEMBL
IC50404.0 nMPMID20413312BindingDB,ChEMBL
IC50684.0 nMPMID8642567, PMID7739011BindingDB,ChEMBL
IC50112200.0 nMPMID18370374BindingDB,ChEMBL
Ki<10000.0 nMPMID20580236, PMID7562497BindingDB,ChEMBL
Ki1.8 nMPMID21481987BindingDB,ChEMBL
Ki2.0 nMPMID26411794ChEMBL
Ki2.0 nMPMID26411794BindingDB
Ki15.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:6:589BindingDB,ChEMBL
Ki76.9 nMPMID19932964BindingDB,ChEMBL
Ki82.5 nMPMID25129170ChEMBL
Ki83.0 nMPMID25129170BindingDB
Ki90.0 nMPMID11425550, PMID12570383, PMID10843229BindingDB,ChEMBL
Ki113.0 nMPMID21235243BindingDB,ChEMBL
Ki145.0 nMPMID7562497BindingDB
Ki157.0 nMPMID14998329BindingDB,ChEMBL
Ki171.0 nMPMID23419026BindingDB,ChEMBL
Ki217.0 nMPMID15857143, PMID12699394, PMID16033285, PMID12954070BindingDB,ChEMBL
Ki280.0 nMPMID2828622BindingDB,ChEMBL
Ki684.0 nMPMID7739013BindingDB,ChEMBL

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