Showing entry for Isatin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0033921
Compound NameIsatin
Structure
FormulaC8H5NO2
InchiKeyJXDYKVIHCLTXOP-UHFFFAOYSA-N
SMILESO=C1C(=O)Nc2c1cccc2
InchiInChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
IUPAC1H-indole-2,3-dione
Molecular Weight147.03
Pubchem Id7054
Chembl IdCHEMBL326294
Targets of Information Source
DrugBank DB02095
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
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB experimental -
PDB ISN
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
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB - 3000 - - -
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB - - - - -
G5EGA6 BXGT003527 Dehydrogenase/reductase SDR family member 4 reviewed dhrs-4 - - - - -
Q6B0I6 BXGT016211 Lysine-specific demethylase 4D reviewed KDM4D Epigenetic regulator - - - -
Q99497 BXGT019926 Protein/nucleic acid deglycase DJ-1 reviewed PARK7 Enzyme - - - -
Binding DB 11022
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 BXGT011180 Amine oxidase [flavin-containing] B reviewed MAOB 6000 - - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB 3000 - - -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA 15000 - - -
reviewed BXGT005640 Coagulation factor XII reviewed Enzyme F12 >100000 - - -
reviewed BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 >100000 - - -
reviewed BXGT007803 Liver carboxylesterase 1 reviewed - >100000 - - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE >100000 - - -
reviewed BXGT006430 Cholinesterase reviewed BCHE >100000 - - -
reviewed BXGT012315 Secreted chorismate mutase reviewed Rv1885c - 1080 - -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA - 56234 - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB - 7943 - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB - 18750 - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB - 34390 - -
reviewed BXGT005953 Transthyretin reviewed Transporter TTR - >50000 - -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA - 40000 - -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA - 31800 - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB - 12400 - -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA 8380 - - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB 5340 - - -
reviewed BXGT008715 Protein-glutamine gamma-glutamyltransferase 2 reviewed Enzyme TGM2 - >250000 - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB - 18754 - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB 33 - - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB - 21070 - -
CHEMBL CHEMBL326294
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
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 84 %
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 16 %
P02766 BXGT005953 Transthyretin reviewed Transporter TTR IC50 '>' 50000 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '=' 34390 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition '=' 40 %
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '=' 18750 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition - - -
P25779 BXGT009067 Cruzipain reviewed - IC50 '>>' 10000 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition '=' 40 %
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition '=' 12 %
P21980 BXGT008715 Protein-glutamine gamma-glutamyltransferase 2 reviewed Enzyme TGM2 IC50 '>' 250000 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Ki '=' 8380 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 64 %
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Ki '=' 3000 nM
P17597 BXGT008320 Acetolactate synthase, chloroplastic reviewed - ALS Inhibition '=' 70 %
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '>' 100000 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '=' 12400 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Ki '=' 15000 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Ki '=' 33 nM
P06276 BXGT006430 Cholinesterase reviewed - BCHE Ki '>' 100000 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 '=' 56234 nM
Q9N6S8 BXGT021120 Cysteine proteinase falcipain 2a unreviewed - IC50 - - -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Ki '=' 5940 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '=' 21070 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '=' 12070 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Activity '=' 64 %
P02766 BXGT005953 Transthyretin reviewed Transporter TTR Activity '=' 24 %
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Ki '>' 100000 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 '=' 40000 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 31 %
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '=' 18754 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Ki '=' 5200 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Activity '=' 88 %
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '=' 7943 nM
P42574 BXGT010317 Caspase-3 reviewed Enzyme CASP3 IC50 '>' 100000 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 '=' 31800 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Ki '=' 5340 nM
P02766 BXGT005953 Transthyretin reviewed Transporter TTR Activity - - -
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 0 %
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 20596 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Ki '=' 2000 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 47 %
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 '=' 22540 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Ki '=' 16000 nM
P14920 BXGT008067 D-amino-acid oxidase reviewed - DAO Inhibition '=' 19 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00039 Capers Capparis spinosa Herbs and Spices
BXGF04978 Isatis indigotica Isatis indigotica Medicinal Plant
BXGF05297 Isatis tinctoria Isatis tinctoria Medicinal Plant
BXGF05301 Baphicacanthus cusia Baphicacanthus cusia Medicinal Plant
BXGF06143 Persicaria tinctoria Persicaria tinctoria 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