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BDBM25320 4-[(E)-2-{2,6-diamino-3-methyl-5-[(E)-2-(4-sulfophenyl)diazen-1-yl]phenyl}diazen-1-yl]benzene-1-sulfonic acid::ChemBridge dibenzenesulfonic acid, 16

InChI string: InChI=1S/C19H18N6O6S2/c1-11-10-16(24-22-12-2-6-14(7-3-12)32(26,27)28)18(21)19(17(11)20)25-23-13-4-8-15(9-5-13)33(29,30)31/h2-10H,20-21H2,1H3,(H,26,27,28)(H,29,30,31)/b24-22+,25-23+

SMILES: Cc1cc(\N=N\c2ccc(cc2)S(O)(=O)=O)c(N)c(\N=N\c2ccc(cc2)S(O)(=O)=O)c1N

InChI Key: InChIKey=AUPOYHVOSSAUEG-BQASJOSNSA-N

Data: 1 Other

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 25320   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP Phosphoribosyltransferase


(Mycobacterium tuberculosis)
BDBM25320
PNG
(4-[(E)-2-{2,6-diamino-3-methyl-5-[(E)-2-(4-sulfoph...)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(O)(=O)=O)c(N)c(\N=N\c2ccc(cc2)S(O)(=O)=O)c1N
Show InChI InChI=1S/C19H18N6O6S2/c1-11-10-16(24-22-12-2-6-14(7-3-12)32(26,27)28)18(21)19(17(11)20)25-23-13-4-8-15(9-5-13)33(29,30)31/h2-10H,20-21H2,1H3,(H,26,27,28)(H,29,30,31)/b24-22+,25-23+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/an/an/an/a8.522



Yale University



Assay Description
Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...


J Med Chem 51: 5984-92 (2008)

More data for this
Ligand-Target Pair