| Reaction Details |
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 | Report a problem with these data |
| Target | Salicyl-AMP ligase / salicyl-S-ArCP synthetase |
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| Ligand | BDBM50411448 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_451657 (CHEMBL901868) |
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| Ki | 21±n/a nM |
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| Citation |  Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC 5'-O-[(N-acyl)sulfamoyl]adenosines as antitubercular agents that inhibit MbtA: an adenylation enzyme required for siderophore biosynthesis of the mycobactins. J Med Chem50:6080-94 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Salicyl-AMP ligase / salicyl-S-ArCP synthetase |
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| Name: | Salicyl-AMP ligase / salicyl-S-ArCP synthetase |
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| Synonyms: | 2,3-dihydroxybenzoate-AMP ligase | MBTA_MYCTU | mbtA |
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| Type: | PROTEIN |
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| Mol. Mass.: | 59275.32 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | ChEMBL_423930 |
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| Residue: | 565 |
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| Sequence: | MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVA
DAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGA
IPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDP
GPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAAL
CRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTA
LVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLL
NFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAER
DNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFS
AAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPI
GKIDKRAIVRQLGIATGPVTTQRCH
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| BDBM50411448 |
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| n/a |
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| Name | BDBM50411448 |
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| Synonyms: | CHEMBL1162036 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H17BrN6O8S |
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| Mol. Mass. | 545.321 |
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| SMILES | Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(Br)cc2O)[C@@H](O)[C@H]1O |r| |
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| Structure | 
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