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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

NameMLS000401592
Molecular formulaC26H21FN4O5S2
IUPAC name1-(4-fluorophenyl)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide
Molecular weight552.595
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP5.1
SynonymsAC1MVXLJ
SMR000243497
1-(4-fluorophenyl)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide
HMS2536N23
1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-oxidanyl-phenyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide
[ Show all ]
Inchi KeyAIXCLGQVXMIORW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H21FN4O5S2/c1-15-21-14-24(37-26(21)31(29-15)18-7-3-16(27)4-8-18)25(33)28-22-13-20(11-12-23(22)32)38(34,35)30-17-5-9-19(36-2)10-6-17/h3-14,30,32H,1-2H3,(H,28,33)
PubChem CID3690550
ChEMBLCHEMBL1587837
IUPHARN/A
BindingDB68066
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC50<92498.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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