| 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 | BDBM50413192 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_493446 (CHEMBL942239) |
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| Ki | 3.2±n/a nM |
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| Citation |  Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC Quantitative three dimensional structure linear interaction energy model of 5'-O-[N-(salicyl)sulfamoyl]adenosine and the aryl acid adenylating enzyme MbtA. J Med Chem51:7154-60 (2009) [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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| BDBM50413192 |
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| n/a |
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| Name | BDBM50413192 |
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| Synonyms: | CHEMBL611786 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H18N6O7S |
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| Mol. Mass. | 450.426 |
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| SMILES | Nc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)CC1O |
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| Structure | 
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