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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

NameMLS002473569
Molecular formulaC22H18N2O3S2
IUPAC name5-[2-[5-methoxy-2-(4-methylsulfonylphenyl)-1-benzothiophen-3-yl]ethynyl]-1-methylimidazole
Molecular weight422.517
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM88491
cid_44202221
5-[2-[5-methoxy-2-(4-methylsulfonylphenyl)-1-benzothiophen-3-yl]ethynyl]-1-methylimidazole
5-[2-[2-(4-mesylphenyl)-5-methoxy-benzothiophen-3-yl]ethynyl]-1-methyl-imidazole
HMS2200F15
[ Show all ]
Inchi KeyAAHMFTBCVJDHBJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18N2O3S2/c1-24-14-23-13-16(24)6-10-19-20-12-17(27-2)7-11-21(20)28-22(19)15-4-8-18(9-5-15)29(3,25)26/h4-5,7-9,11-14H,1-3H3
PubChem CID44202221
ChEMBLCHEMBL1707272
IUPHARN/A
BindingDB88491
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<92460.0 nMN/ABindingDB

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