Reaction Details |
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Target | Salicyl-AMP ligase / salicyl-S-ArCP synthetase |
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Ligand | BDBM50316151 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1733809 (CHEMBL4149345) |
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Ki | 14±n/a nM |
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Citation | Dawadi, S; Boshoff, HIM; Park, SW; Schnappinger, D; Aldrich, CC Conformationally Constrained Cinnolinone Nucleoside Analogues as Siderophore Biosynthesis Inhibitors for Tuberculosis. ACS Med Chem Lett9:386-391 (2018) [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 |
Synonyms: | 2,3-dihydroxybenzoate-AMP ligase | MBTA_MYCTU | mbtA |
Type: | PROTEIN |
Mol. Mass.: | 59275.32 |
Organism: | Mycobacterium tuberculosis |
Description: | ChEMBL_423930 |
Residue: | 565 |
Sequence: | MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVA
DAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGA
IPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDP
GPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAAL
CRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTA
LVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLL
NFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAER
DNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFS
AAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPI
GKIDKRAIVRQLGIATGPVTTQRCH
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BDBM50316151 |
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n/a |
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Name | BDBM50316151 |
Synonyms: | CHEMBL4299747 |
Type | Small organic molecule |
Emp. Form. | C24H31F2N9O6S |
Mol. Mass. | 611.621 |
SMILES | CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3cc(F)c(F)cc3c2=O)[C@@H](O)[C@H]1O |r| |
Structure |
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