Showing entry for Dipyrithione


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0017232
Compound NameDipyrithione
Structure
FormulaC10H8N2O2S2
InchiKeyZHDBTKPXEJDTTQ-UHFFFAOYSA-N
SMILESO=n1ccccc1SSc1ccccn1=O
InchiInChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H
IUPAC1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium
Molecular Weight252
Pubchem Id3109
Chembl IdCHEMBL549473
Targets of Information Source
DrugBank DB11327
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
P35228 BXGT009800 Nitric oxide synthase, inducible reviewed - NOS2 approved antagonist
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 approved -
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL549473
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 361 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 891 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 707 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 5623 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 354 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 105 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 112 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 595 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 118 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 5011 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 1121 nM
Q57TT1 BXGT015153 Uncharacterized protein unreviewed - Tb927.8.6820 Potency - 11220 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 1258 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 25118 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 22387 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 14125 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 6683 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 2557 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01517 Allium stipitatum Allium stipitatum Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease