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GPCR

NameDelta-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRD1
SynonymD-OR-1
DOR
opioid receptor
OP1
DOP
[ Show all ]
DiseaseCough
Overactive bladder disorder
Bladder disease
Moderate-to-severe pain
Diarrhea-predominant IBS
[ Show all ]
Length372
Amino acid sequenceMEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
UniProtP41143
Protein Data Bank4rwd, 4rwa, 4n6h
GPCR-HGmod modelP41143
3D structure modelThis structure is from PDB ID 4rwd.
BioLiPBL0303696,BL0303697, BL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700
Therapeutic Target DatabaseT58992
ChEMBLCHEMBL236
IUPHAR317
DrugBankBE0000420

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
SynonymsSDZ 202-250
Unkie
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
[ 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
N/A N/ADrugBank
Activity62.0 -PMID7515442ChEMBL
Activity93.0 %PMID21235243ChEMBL
Activity103.0 %PMID16913723, PMID19253983, PMID17887741ChEMBL
EC5015.6 nMPMID21235243ChEMBL
EC5016.0 nMPMID21235243BindingDB
EC50316.0 nMPMID16913723, PMID19253983BindingDB,ChEMBL
EC50500.0 nMPMID23880538ChEMBL
ED50316.0 nMPMID20055417ChEMBL
Emax103.0 %PMID20055417ChEMBL
IC50150.0 nMPMID12502358BindingDB,ChEMBL
IC50185.0 nMPMID2887656BindingDB,ChEMBL
IC50242.0 nMPMID11585443BindingDB
IC50430.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:21:2527BindingDB,ChEMBL
Inhibition69.0 %PMID23880538ChEMBL
Ki51.0 nM, Bioorg. Med. Chem. Lett., (1992) 2:7:715BindingDB,ChEMBL
Ki58.0 nMPMID16777416BindingDB,ChEMBL
Ki100.0 nMPMID7932177BindingDB
Ki104.57 nMPMID18311899ChEMBL
Ki113.0 nMPMID12372519BindingDB
Ki113.3 nMPMID12372519ChEMBL
Ki125.893 nMPMID9686407IUPHAR
Ki132.0 nMPMID8642554BindingDB,ChEMBL
Ki140.0 nMPMID16913723, PMID17887741, PMID9686407, PMID15055988, PMID22439881, PMID16392810, PMID11425545, PMID11000010BindingDB,ChEMBL
Ki150.0 nMPMID12166947, PMID9651168BindingDB,ChEMBL
Ki280.0 nMPMID1315868BindingDB,ChEMBL
Ki295.0 nMPMID22680612BindingDB,ChEMBL
Ki299.0 nMPMID12930147BindingDB,ChEMBL
Ki375.0 nMPMID7932535BindingDB,ChEMBL
Ki416.87 nMPMID11960505ChEMBL
Ki456.0 nMPMID1652025, PMID1323679, PMID12930147BindingDB,ChEMBL
Ki460.0 nMPMID1846921BindingDB,ChEMBL
Ki510.0 nMPMID9873439BindingDB,ChEMBL
Ki605.0 nMPMID22341895, PMID23618710, PMID25599950, PMID23880358BindingDB,ChEMBL
Ki629.51 nMPMID1967312ChEMBL
Ki630.0 nMPMID1967312BindingDB
Ki710.0 nMPMID9873603BindingDB,ChEMBL
Ki1000.0 nMPMID8114680BindingDB
Relative affinity0.8 %PMID11960505ChEMBL
Relative potency1.0 -PMID2887656ChEMBL

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