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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

NameCHEMBL24293
Molecular formulaC25H27N3
IUPAC name1-[phenyl-(4-pyridin-3-ylphenyl)methyl]-4-prop-2-enylpiperazine
Molecular weight369.512
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.5
Synonyms1-Allyl-4-[phenyl-(4-pyridin-3-yl-phenyl)-methyl]-piperazine
BDBM50077080
1-[4-(3-Pyridinyl)benzhydryl]-4-allylpiperazine
Inchi KeyAFTKXNYVOSKYEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3/c1-2-15-27-16-18-28(19-17-27)25(22-7-4-3-5-8-22)23-12-10-21(11-13-23)24-9-6-14-26-20-24/h2-14,20,25H,1,15-19H2
PubChem CID44275536
ChEMBLCHEMBL24293
IUPHARN/A
BindingDB50077080
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50500.0 nMPMID10340622BindingDB,ChEMBL

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