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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

NameCHEMBL70311
Molecular formulaC23H28Cl2N2O3
IUPAC name2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-3-methylidene-2-oxo-8-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-7-yl]acetamide
Molecular weight451.388
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.5
Synonyms2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-methylene-2-oxo-8-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-7-yl)-acetamide
BDBM50000781
2-(3,4-Dichlorophenyl)-N-methyl-N-[(5R)-3-methylene-2-oxo-8beta-(1-pyrrolidinyl)-1-oxaspiro[4.5]decan-7alpha-yl]acetamide
Inchi KeyAIGXNGMYDUNNBN-SXWKCWPCSA-N
Inchi IDInChI=1S/C23H28Cl2N2O3/c1-15-13-23(30-22(15)29)8-7-19(27-9-3-4-10-27)20(14-23)26(2)21(28)12-16-5-6-17(24)18(25)11-16/h5-6,11,19-20H,1,3-4,7-10,12-14H2,2H3/t19-,20-,23+/m0/s1
PubChem CID15177774
ChEMBLCHEMBL70311
IUPHARN/A
BindingDB50000781
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Control51.0 %PMID1319495ChEMBL
Control81.0 %PMID1319495ChEMBL
Control95.0 %PMID1319495ChEMBL
Control103.0 %PMID1319495ChEMBL
Ki12300.0 nMPMID1319495BindingDB,ChEMBL

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