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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

NameCHEMBL66387
Molecular formulaC33H36N2O2
IUPAC nameN,N-diethyl-4-[(8-phenacyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenylmethyl]benzamide
Molecular weight492.663
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.6
SynonymsBDBM50144227
N,N-Diethyl-4-{[8-(2-oxo-2-phenyl-ethyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-phenyl-methyl}-benzamide
Inchi KeyAEIDXTHWUACBSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H36N2O2/c1-3-34(4-2)33(37)27-17-15-26(16-18-27)32(25-13-9-6-10-14-25)28-21-29-19-20-30(22-28)35(29)23-31(36)24-11-7-5-8-12-24/h5-18,29-30H,3-4,19-23H2,1-2H3
PubChem CID10185016
ChEMBLCHEMBL66387
IUPHARN/A
BindingDB50144227
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50173.0 nMPMID15080989BindingDB,ChEMBL
Ki6.3 nMPMID15080989BindingDB
Ki6.31 nMPMID15080989ChEMBL
Relative efficacy0.68 -PMID15080989ChEMBL

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