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BDBM50412369 CHEMBL518959

SMILES: O[C@@H]1[C@@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=ZAGPLQUPVANFGJ-UVLLPENVSA-M

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50412369   
Target/Host
(Institution)		LigandTarget/Host
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
2,3-dihydroxybenzoate-AMP ligase


(Mycobacterium tuberculosis)		BDBM50412369
PNG
(CHEMBL518959)
Show SMILES O[C@@H]1[C@@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
Show InChI InChI=1S/C22H26N6O8S/c29-14-8-4-3-7-13(14)21(32)27-37(33,34)35-9-15-17(30)18(31)22(36-15)28-11-25-16-19(23-10-24-20(16)28)26-12-5-1-2-6-12/h3-4,7-8,10-12,15,17-18,22,30-31H,1-2,5-6,9H2,(H3,23,24,26,27,29,32)/p-1/t15-,17-,18-,22-/m1/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.41E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MbtA expressed in Escherichia coli by ATP-PPi exchange assay

J Med Chem 51: 5349-70 (2008)


Article DOI: 10.1021/jm800567v
BindingDB Entry DOI: 10.7270/Q2BZ66X7
More data for this
Ligand-Target Pair