Showing entry for Indigo


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0027547
Compound NameIndigo
Structure
FormulaC16H10N2O2
InchiKeyCOHYTHOBJLSHDF-BUHFOSPRSA-N
SMILESO=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2
InchiInChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
IUPAC(2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
Molecular Weight262.07
Pubchem Id
Chembl IdCHEMBL599552
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 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 CHEMBL599552
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
P10584 BXGT007580 Malate dehydrogenase reviewed - mdh IC50 '=' 60000 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Change in IC50 '>' 50 fold
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 5011 nM
P35869 BXGT009877 Aryl hydrocarbon receptor reviewed Transcription factor AHR EC50 '=' 1700 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 7943 nM
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC IC50 '=' 28000 nM
O95067 BXGT005347 G2/mitotic-specific cyclin-B2 reviewed Enzyme modulator CCNB2 IC50 '>' 100000 nM
Q8WWL7 BXGT019000 G2/mitotic-specific cyclin-B3 reviewed Enzyme modulator CCNB3 IC50 '>' 100000 nM
P14635 BXGT008031 G2/mitotic-specific cyclin-B1 reviewed Enzyme modulator CCNB1 IC50 '>' 100000 nM
P06493 BXGT006445 Cyclin-dependent kinase 1 reviewed Kinase CDK1 IC50 '>' 100000 nM
P24941 BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 IC50 '=' 70000 nM
Q15078 BXGT013534 Cyclin-dependent kinase 5 activator 1 reviewed Enzyme modulator CDK5R1 IC50 '>' 100000 nM
Q00535 BXGT012534 Cyclin-dependent-like kinase 5 reviewed Kinase CDK5 IC50 '>' 100000 nM
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B IC50 '>' 100000 nM
P49840 BXGT010749 Glycogen synthase kinase-3 alpha reviewed Kinase GSK3A IC50 '>' 100000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 39810 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 12817 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 3548 nM
P17538 BXGT008314 Chymotrypsinogen B reviewed Enzyme CTRB1 IC50 '=' 90000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 3162 nM
P24941 BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 IC50 '=' 1000 nM
P24864 BXGT009000 G1/S-specific cyclin-E1 reviewed Enzyme modulator CCNE1 IC50 '=' 1000 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 3162 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 63095 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 7943 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00867 Crotalaria paniculata Crotalaria paniculata Medicinal Plant
BXGF04978 Isatis indigotica Isatis indigotica Medicinal Plant
BXGF05289 Allium macrostemon Allium macrostemon Medicinal Plant
BXGF05297 Isatis tinctoria Isatis tinctoria Medicinal Plant
BXGF05301 Baphicacanthus cusia Baphicacanthus cusia Medicinal Plant
BXGF05658 Spiraea japonica Spiraea japonica Medicinal Plant
BXGF05995 Geijera parviflora Geijera parviflora Others
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