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Target
Salicyl-AMP ligase / salicyl-S-ArCP synthetase
Ligand
BDBM50412364
Substrate
n/a
Meas. Tech.
ChEMBL_511444 (CHEMBL1003925)
Ki
3.03±n/a nM
Citation
 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC Inhibition of siderophore biosynthesis in Mycobacterium tuberculosis with nucleoside bisubstrate analogues: structure-activity relationships of the nucleobase domain of 5'-O-[N-(salicyl)sulfamoyl]adenosine. J Med Chem 51:5349-70 (2008) [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:
BDBM50412364
Synonyms:
CHEMBL611789
Type:
Small organic molecule
Emp. Form.:
C17H17IN6O8S
Mol. Mass.:
592.322
SMILES:
Nc1nc(I)nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
Structure:
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