Showing entry for Congo Red


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0045817
Compound NameCongo Red
Structure
FormulaC32H24N6O6S2.2Na
InchiKeyIQFVPQOLBLOTPF-HKXUKFGYSA-L
SMILESNc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)[O-])cc(c2c1cccc2)S(=O)(=O)[O-].[Na+].[Na+]
InchiInChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b37-35+,38-36+;;
IUPAC
Molecular Weight650.1
Pubchem Id
Chembl IdCHEMBL429694
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 CGO
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
Q03689 BXGT012734 Heterokaryon incompatibility protein s reviewed het-s - - - - -
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 CHEMBL429694
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
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Ki '>' 1000 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Inhibition '=' 20 %
P81908 BXGT011959 Cholinesterase reviewed - BCHE IC50 - - -
Q6ZVD8 BXGT016639 PH domain leucine-rich repeat-containing protein phosphatase 2 reviewed - PHLPP2 IC50 '=' 33000 nM
Q6UWR7 BXGT016568 Ectonucleotide pyrophosphatase/phosphodiesterase family member 6 reviewed Enzyme ENPP6 Inhibition '=' -3 %
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Inhibition '=' 99 %
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Activity - - -
P16278 BXGT008213 Beta-galactosidase reviewed Enzyme GLB1 IC50 '=' 100000 nM
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Inhibition '=' 5 %
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 IC50 '=' 1310 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 10593 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache IC50 - - -
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 96 %
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Inhibition '=' 14 %
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Inhibition '=' 54 %
P00811 BXGT005666 Beta-lactamase reviewed - ampC Decrease in IC50 '=' 11 -
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 99 %
P00811 BXGT005666 Beta-lactamase reviewed - ampC IC50 '=' 340 nM
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Inhibition '=' 94 %
Q9UPY5 BXGT021803 Cystine/glutamate transporter reviewed Transporter SLC7A11 Activity '=' 82 %
P00811 BXGT005666 Beta-lactamase reviewed - ampC IC50 - - -
P00811 BXGT005666 Beta-lactamase reviewed - ampC Increase in IC50 '=' 15 -
P00374 BXGT005520 Dihydrofolate reductase reviewed Enzyme DHFR Concentration '=' 0 uM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Inhibition - - -
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 97 %
Q99895 BXGT019974 Chymotrypsin-C reviewed - CTRC IC50 '=' 40000 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC IC50 '=' 2200 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 99 %
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 - - -
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Imax '=' 95 %
Q6UWV6 BXGT016569 Ectonucleotide pyrophosphatase/phosphodiesterase family member 7 reviewed - ENPP7 Inhibition '=' 2 %
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Ki '=' 1890 nM
P05364 BXGT006351 Beta-lactamase reviewed - ampC Inhibition '=' 81 %
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Inhibition '=' 91 %
P00378 BXGT005523 Dihydrofolate reductase reviewed - DHFR IC50 '=' 400 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC IC50 '=' 340000 nM
P05453 BXGT006363 Eukaryotic peptide chain release factor GTP-binding subunit reviewed - SUP35 Inhibition '=' 100 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 33498 nM
P05364 BXGT006351 Beta-lactamase reviewed - ampC Concentration '=' 3 uM
P16278 BXGT008213 Beta-galactosidase reviewed Enzyme GLB1 Concentration '=' 100 uM
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Inhibition '=' 36 %
Q83TT7 BXGT017514 AmpC unreviewed - ampC Activity - - -
P00811 BXGT005666 Beta-lactamase reviewed - ampC IC50 '=' 3900 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC IC50 '=' 650 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition '=' 78 %
P28329 BXGT009251 Choline O-acetyltransferase reviewed Enzyme CHAT Ki '=' 100 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition '=' 93 %
P00766 BXGT005647 Chymotrypsinogen A reviewed - Concentration '=' 40 uM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Inhibition '=' 92 %
P06276 BXGT006430 Cholinesterase reviewed - BCHE Activity - - -
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Inhibition '=' 82 %
P06276 BXGT006430 Cholinesterase reviewed - BCHE IC50 - - -
P00811 BXGT005666 Beta-lactamase reviewed - ampC IC50 '=' 4000 nM
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Inhibition '=' 77 %
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Inhibition '=' 99 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Imax - - -
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Inhibition '=' 89 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP IC50 '=' 1300 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition '=' 86 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition '=' 76 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00068 Turmeric Curcuma longa Herbs and Spices
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