Reaction Details |
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Target | DNA gyrase subunit B |
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Ligand | BDBM50226181 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1623809 |
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IC50 | 46±n/a nM |
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Citation | Jeankumar, VU; Reshma, RS; Vats, R; Janupally, R; Saxena, S; Yogeeswari, P; Sriram, D Engineering another class of anti-tubercular lead: Hit to lead optimization of an intriguing class of gyrase ATPase inhibitors. Eur J Med Chem122:216-231 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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DNA gyrase subunit B |
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Name: | DNA gyrase subunit B |
Synonyms: | GYRB_MYCSM | gyrB |
Type: | PROTEIN |
Mol. Mass.: | 74505.25 |
Organism: | Mycobacterium smegmatis |
Description: | ChEMBL_107961 |
Residue: | 675 |
Sequence: | MAAQKNNAPKEYGADSITILEGLEAVRKRPGMYIGSTGERGLHHLIWEVVDNAVDEAMAG
FATRVDVKIHADGSVEVRDDGRGIPVEMHATGMPTIDVVMTQLHAGGKFDGETYAVSGGL
HGVGVSVVNALSTRLEATVLRDGYEWFQYYDRSVPGKLKQGGETKETGTTIRFWADPEIF
ETTDYNFETVARRLQEMAFLNKGLTIELTDERVTAEEVVDDVVKDTAEAPKTADEKAAEA
TGPSKVKHRVFHYPGGLVDYVKHINRTKTPIQQSIIDFDGKGPGHEVEIAMQWNAGYSES
VHTFANTINTHEGGTHEEGFRAALTSVVNRYAKDKKLLKDKDPNLTGDDIREGLAAVISV
KVAEPQFEGQTKTKLGNTEVKSFVQKICNEQLQHWFEANPAEAKTVVNKAVSSAQARIAA
RKARELVRRKSATDIGGLPGKLADCRSTDPSKSELYVVEGDSAGGSAKSGRDSMFQAILP
LRGKIINVEKARIDRVLKNTEVQSIITALGTGIHDEFDISKLRYHKIVLMADADVDGQHI
STLLLTLLFRFMKPLVENGHIFLAQPPLYKLKWQRSEPEFAYSDRERDGLLEAGRAAGKK
INVDDGIQRYKGLGEMDAKELWETTMDPSVRVLRQVTLDDAAAADELFSILMGEDVEARR
SFITRNAKDVRFLDV
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BDBM50226181 |
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n/a |
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Name | BDBM50226181 |
Synonyms: | (3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)benzamido)-2-oxo-2H-chromen-7-yloxy)-3-methoxy-2,2-dimethyl-tetrahydro-2H-pyran-4-yl carbamate | (3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)benzamido)-8-methyl-2-oxo-2H-chromen-7-yloxy)-3-methoxy-2,2-dimethyl-tetrahydro-2H-pyran-4-yl carbamate | CHEMBL36506 | Carbamic acid (3R,4S,5R,6R)-5-hydroxy-6-{4-hydroxy-3-[4-hydroxy-3-(3-methyl-but-2-enyl)-benzoylamino]-8-methyl-2-oxo-2H-chromen-7-yloxy}-3-methoxy-2,2-dimethyl-tetrahydro-pyran-4-yl ester | Carbamic acid (3R,4S,5R,6R)-5-hydroxy-6-{4-hydroxy-3-[4-hydroxy-3-(4-methyl-pent-3-enyl)-benzoylamino]-8-methyl-2-oxo-2H-chromen-7-yloxy}-3-methoxy-2,2-dimethyl-tetrahydro-pyran-4-yl ester | Carbamic acid 5-hydroxy-6-{4-hydroxy-3-[4-hydroxy-3-(3-methyl-but-2-enyl)-benzoylamino]-8-methyl-2-oxo-2H-chromen-7-yloxy}-3-methoxy-2,2-dimethyl-tetrahydro-pyran-4-yl ester | Carbamic acid 5-hydroxy-6-{4-hydroxy-3-[4-hydroxy-3-(3-methyl-but-2-enyl)-benzoylamino]-8-methyl-2-oxo-2H-chromen-7-yloxy}-3-methoxy-2,2-dimethyl-tetrahydro-pyran-4-yl ester(Novobiocin) | NOVOBIOCIN |
Type | Small organic molecule |
Emp. Form. | C31H36N2O11 |
Mol. Mass. | 612.6243 |
SMILES | [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| |
Structure |
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