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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

NameCHEMBL332697
Molecular formulaC23H24N4O6
IUPAC name3-[1-[(E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight452.467
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.7
Synonyms1-[1-[3-(2-Nitro-4,5-dimethoxyphenyl)acryloyl]-4-piperidinyl]-1H-benzimidazole-2(3H)-one
1-{1-[3-(4,5-Dimethoxy-2-nitro-phenyl)-acryloyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
BDBM50105078
Inchi KeyAGJHOJDCPSVSPB-BQYQJAHWSA-N
Inchi IDInChI=1S/C23H24N4O6/c1-32-20-13-15(19(27(30)31)14-21(20)33-2)7-8-22(28)25-11-9-16(10-12-25)26-18-6-4-3-5-17(18)24-23(26)29/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,29)/b8-7+
PubChem CID10895676
ChEMBLCHEMBL332697
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID11585443ChEMBL

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