Reaction Details Report a problem with these data
Target
Salicyl-AMP ligase / salicyl-S-ArCP synthetase
Ligand
BDBM50411239
Substrate
n/a
Meas. Tech.
ChEMBL_423930 (CHEMBL911945)
Ki
2.3±n/a nM
Citation
 Somu, RV; Wilson, DJ; Bennett, EM; Boshoff, HI; Celia, L; Beck, BJ; Barry, CE; Aldrich, CC Antitubercular nucleosides that inhibit siderophore biosynthesis: SAR of the glycosyl domain. J Med Chem 49:7623-35 (2006) [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:
BDBM50411239
Synonyms:
CHEMBL218023
Type:
Small organic molecule
Emp. Form.:
C18H20N6O7S
Mol. Mass.:
464.452
SMILES:
Nc1ncnc2ncn([C@@H]3C[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O)c12 |r|
Structure:
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