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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

NameNorbinaltorphimine
Molecular formulaC40H43N3O6
IUPAC name(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol
Molecular weight661.799
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP3.2
Synonyms36OOQ86QM1
BDBM82551
GTPL1642
Nor-Binaltorphamine
ta,10aalpha,11beta,14aS*,19aalpha,20bbeta)]-
[ Show all ]
Inchi KeyAPSUXPSYBJVPPS-YAUKWVCOSA-N
Inchi IDInChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PubChem CID5480230
ChEMBLCHEMBL573214
IUPHAR1642
BindingDB82551
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity220.0 %PMID20568781ChEMBL
EC504.4 nMPMID12672258BindingDB
EC504.42 Ke nM-1PMID12672258ChEMBL
EC50380.0 nMPMID20568781BindingDB,ChEMBL
IC5022.0 nMPMID1335078BindingDB,ChEMBL
IC5024.0 nMPMID20727752, PMID20719509BindingDB,ChEMBL
Kb14.1 nMPMID21958337ChEMBL
Ke4.4 nMPMID16366600, PMID12825951ChEMBL
Ke4.42 nMPMID15456250, PMID12519069, PMID24973818, PMID14640558ChEMBL
Ke4.6 nMPMID12723940, PMID12139463ChEMBL
Ke10.0 nMPMID2838632ChEMBL
Ke10.14 nMPMID12723940ChEMBL
Ke10.2 nMPMID12825951ChEMBL
Ke12.1 nMPMID12723940ChEMBL
Ke29.0 nMPMID26342544, PMID20568781, PMID19954245, PMID23651437, PMID16509593, PMID17685652ChEMBL
Ki0.3 nMPMID19683449ChEMBL
Ki0.3 nMPMID19683449BindingDB
Ki0.8 nMPMID19683449ChEMBL
Ki0.8 nMPMID19683449BindingDB
Ki4.4 nMPMID11055333BindingDB
Ki4.42 nMPMID11055333ChEMBL
Ki5.07 nMPMID24973818ChEMBL
Ki5.1 nMPMID24973818BindingDB
Ki5.7 nMPMID12519069, PMID9686407, PMID14640558, PMID12672258, PMID15456250, PMID11055333, PMID12825951BindingDB,ChEMBL
Ki6.30957 nMPMID9686407IUPHAR
Ki6.56 nMPMID21958337ChEMBL
Ki6.6 nMPMID21958337BindingDB
Ki10.0 nMPMID11495579, PMID12565965, PMID9857089BindingDB
Ki10.14 nMPMID9857089ChEMBL
Ki10.2 nMPMID11495579, PMID12565965ChEMBL
Ki12.0 nMPMID11495579BindingDB
Ki12.1 nMPMID11495579ChEMBL
Ki19.0 nMPMID10893307BindingDB,ChEMBL
Ki19.5 nMPMID12747782ChEMBL
Ki20.0 nMPMID12747782BindingDB
Ki24.0 nMPMID19027293BindingDB,ChEMBL
Ki39.0 nMPMID1849995BindingDB,ChEMBL
Ki42.9 nMPMID9857089ChEMBL
Ki43.0 nMPMID8182708, PMID8380614, PMID9857089BindingDB,ChEMBL
Ki65.0 nMPMID21744827, PMID8114680BindingDB
Ki65.2 nMPMID21744827ChEMBL

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