Reaction Details Report a problem with these data
Target
Salicyl-AMP ligase / salicyl-S-ArCP synthetase
Ligand
BDBM50324670
Substrate
n/a
Meas. Tech.
ChEMBL_496141 (CHEMBL999364)
Ki
6.6±n/a nM
Citation
 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC Inhibition of siderophore biosynthesis by 2-triazole substituted analogues of 5'-O-[N-(salicyl)sulfamoyl]adenosine: antibacterial nucleosides effective against Mycobacterium tuberculosis. J Med Chem 51:7495-507 (2009) [PubMed]  Article 
Target
Name:
Salicyl-AMP ligase / salicyl-S-ArCP synthetase
Synonyms:
2,3-dihydroxybenzoate-AMP ligase | MBTA_MYCTU | mbtA
Type:
PROTEIN
Mol. Mass.:
59275.32
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_423930
Residue:
565
Sequence:
MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH
  
Inhibitor
Name:
BDBM50324670
Synonyms:
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 2-hydroxybenzoylsulfamate | 5'-O-(N-(2-hydroxybenzoyl)sulfamoyl)adenosine | 5'-O-[N-(salicyl)-sulfamoyl]-adenosine | 5'-O-[N-(salicyl)sulfamoyl] adenosine | 5'-O-[N-(salicyl)sulfamoyl]adenosine | CHEMBL371502
Type:
Small organic molecule
Emp. Form.:
C17H18N6O8S
Mol. Mass.:
466.425
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r|
Structure:
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