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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

NameCHEMBL181545
Molecular formulaC27H43N3O4S
IUPAC nametert-butyl 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]acetate
Molecular weight505.718
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50153122
{1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-benzo[1,2,6]thiadiazin-3-yl}-acetic acid tert-butyl ester
Inchi KeyARSNLQCMDVFQDA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H43N3O4S/c1-20(2)21-10-12-23(13-11-21)28-16-14-24(15-17-28)30-25-9-7-6-8-22(25)18-29(35(30,32)33)19-26(31)34-27(3,4)5/h6-9,20-21,23-24H,10-19H2,1-5H3
PubChem CID44394405
ChEMBLCHEMBL181545
IUPHARN/A
BindingDB50153122
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki<2000.0 nMPMID15380196BindingDB,ChEMBL

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