Showing entry for Lawsone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0020024
Compound NameLawsone
Structure
FormulaC10H6O3
InchiKeyCSFWPUWCSPOLJW-UHFFFAOYSA-N
SMILESO=C1C=C(O)C(=O)c2c1cccc2
InchiInChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
IUPAC
Molecular Weight174.03
Pubchem Id
Chembl IdCHEMBL240963
Targets of Information Source
DrugBank n.a
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
PDB NQ
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
Q9FCA6 BXGT020361 Biflaviolin synthase CYP158A2 reviewed cyp158a2 - - - 43000 -
Binding DB 50049066
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
reviewed BXGT022243 Tyrosine-protein phosphatase non-receptor type 22 reviewed PTPN22 - 5600 - -
CHEMBL CHEMBL240963
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
P00784 BXGT005655 Papain reviewed - IC50 - - -
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 IC50 '=' 675000 nM
P08254 BXGT006758 Stromelysin-1 reviewed Enzyme MMP3 Inhibition '=' 84 %
P22894 BXGT008815 Neutrophil collagenase reviewed Enzyme MMP8 Inhibition '=' 86 %
P03956 BXGT006120 Interstitial collagenase reviewed Enzyme MMP1 Inhibition '=' 86 %
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 15811 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 25118 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 25118 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 79432 nM
Q4U254 BXGT014890 Protease unreviewed - protease IC50 '>' 150000 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Inhibition '=' 69 %
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 17782 nM
P00772 BXGT005648 Chymotrypsin-like elastase family member 1 reviewed - CELA1 Activity - - -
P08419 BXGT006770 Chymotrypsin-like elastase family member 2A reviewed - CELA2A Activity - - -
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '>' 100000 nM
Q72874 BXGT016711 Pol polyprotein unreviewed - pol IC50 '>' 100000 nM
P14780 BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 Inhibition '=' 85 %
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 31 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 28183 nM
P15917 BXGT008169 Lethal factor reviewed - lef Inhibition '=' 100 %
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 8912 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 15848 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 99 %
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 35481 nM
P00784 BXGT005655 Papain reviewed - Inhibition '=' 82 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
Q9Y2R2 BXGT022243 Tyrosine-protein phosphatase non-receptor type 22 reviewed - PTPN22 Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 101 %
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 50118 nM
P08253 BXGT006757 72 kDa type IV collagenase reviewed Enzyme MMP2 Inhibition '=' 84 %
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 Inhibition '=' 100 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 8912 nM
Q9Z1M0 BXGT026123 P2X purinoceptor 7 reviewed - P2rx7 IC50 '=' 75480 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 31622 nM
Q9Y2R2 BXGT022243 Tyrosine-protein phosphatase non-receptor type 22 reviewed - PTPN22 IC50 '=' 5600 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01087 Impatiens balsamina Impatiens balsamina 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