Reaction Details |
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Target | DNA gyrase subunit A/B |
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Ligand | BDBM50103538 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1433315 (CHEMBL3389960) |
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IC50 | 0.380000±n/a nM |
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Citation | Basarab, GS; Brassil, P; Doig, P; Galullo, V; Haimes, HB; Kern, G; Kutschke, A; McNulty, J; Schuck, VJ; Stone, G; Gowravaram, M Novel DNA gyrase inhibiting spiropyrimidinetriones with a benzisoxazole scaffold: SAR and in vivo characterization. J Med Chem57:9078-95 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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DNA gyrase subunit A/B |
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Name: | DNA gyrase subunit A/B |
Synonyms: | DNA Gyrase | DNA gyrase A/B |
Type: | A2B2 tetramer |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 2 components. |
Component 1 |
Name: | DNA gyrase subunit A |
Synonyms: | DNA gyrase | DNA gyrase subunit A (gyrA) | GYRA_ECOLI | gyrA | hisW | nalA | parD |
Type: | Enzyme Subunit |
Mol. Mass.: | 96935.15 |
Organism: | Escherichia coli (strain K12) |
Description: | n/a |
Residue: | 875 |
Sequence: | MSDLAREITPVNIEEELKSSYLDYAMSVIVGRALPDVRDGLKPVHRRVLYAMNVLGNDWN
KAYKKSARVVGDVIGKYHPHGDSAVYDTIVRMAQPFSLRYMLVDGQGNFGSIDGDSAAAM
RYTEIRLAKIAHELMADLEKETVDFVDNYDGTEKIPDVMPTKIPNLLVNGSSGIAVGMAT
NIPPHNLTEVINGCLAYIDDEDISIEGLMEHIPGPDFPTAAIINGRRGIEEAYRTGRGKV
YIRARAEVEVDAKTGRETIIVHEIPYQVNKARLIEKIAELVKEKRVEGISALRDESDKDG
MRIVIEVKRDAVGEVVLNNLYSQTQLQVSFGINMVALHHGQPKIMNLKDIIAAFVRHRRE
VVTRRTIFELRKARDRAHILEALAVALANIDPIIELIRHAPTPAEAKTALVANPWQLGNV
AAMLERAGDDAARPEWLEPEFGVRDGLYYLTEQQAQAILDLRLQKLTGLEHEKLLDEYKE
LLDQIAELLRILGSADRLMEVIREELELVREQFGDKRRTEITANSADINLEDLITQEDVV
VTLSHQGYVKYQPLSEYEAQRRGGKGKSAARIKEEDFIDRLLVANTHDHILCFSSRGRVY
SMKVYQLPEATRGARGRPIVNLLPLEQDERITAILPVTEFEEGVKVFMATANGTVKKTVL
TEFNRLRTAGKVAIKLVDGDELIGVDLTSGEDEVMLFSAEGKVVRFKESSVRAMGCNTTG
VRGIRLGEGDKVVSLIVPRGDGAILTATQNGYGKRTAVAEYPTKSRATKGVISIKVTERN
GLVVGAVQVDDCDQIMMITDAGTLVRTRVSEISIVGRNTQGVILIRTAEDENVVGLQRVA
EPVDEEDLDTIDGSAAEGDDEIAPEVDVDDEPEEE
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Component 2 |
Name: | DNA gyrase subunit B |
Synonyms: | DNA gyrase subunit B | DNA gyrase subunit B (gyrB) | GYRB_ECOLI | Type IIA topoisomerase subunit GyrB | acrB | cou | gyrB | himB | hisU | nalC | parA | pcbA |
Type: | Enzyme Subunit |
Mol. Mass.: | 89941.28 |
Organism: | Escherichia coli (strain K12) |
Description: | P0AES6 |
Residue: | 804 |
Sequence: | MSNSYDSSSIKVLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEII
VTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKFDDNSYKVSGGLHGVGV
SVVNALSQKLELVIQREGKIHRQIYEHGVPQAPLAVTGETEKTGTMVRFWPSLETFTNVT
EFEYEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHYEGGIKAFVEYLNKNKTPIHPNI
FYFSTEKDGIGVEVALQWNDGFQENIYCFTNNIPQRDGGTHLAGFRAAMTRTLNAYMDKE
GYSKKAKVSATGDDAREGLIAVVSVKVPDPKFSSQTKDKLVSSEVKSAVEQQMNELLAEY
LLENPTDAKIVVGKIIDAARAREAARRAREMTRRKGALDLAGLPGKLADCQERDPALSEL
YLVEGDSAGGSAKQGRNRKNQAILPLKGKILNVEKARFDKMLSSQEVATLITALGCGIGR
DEYNPDKLRYHSIIIMTDADVDGSHIRTLLLTFFYRQMPEIVERGHVYIAQPPLYKVKKG
KQEQYIKDDEAMDQYQISIALDGATLHTNASAPALAGEALEKLVSEYNATQKMINRMERR
YPKAMLKELIYQPTLTEADLSDEQTVTRWVNALVSELNDKEQHGSQWKFDVHTNAEQNLF
EPIVRVRTHGVDTDYPLDHEFITGGEYRRICTLGEKLRGLLEEDAFIERGERRQPVASFE
QALDWLVKESRRGLSIQRYKGLGEMNPEQLWETTMDPESRRMLRVTVKDAIAADQLFTTL
MGDAVEPRRAFIEENALKAANIDI
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BDBM50103538 |
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n/a |
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Name | BDBM50103538 |
Synonyms: | CHEMBL3357561 |
Type | Small organic molecule |
Emp. Form. | C19H19FN4O5 |
Mol. Mass. | 402.3764 |
SMILES | CC1CN2C(C(C)O1)C1(Cc3cc4c(C)noc4c(F)c23)C(=O)NC(=O)NC1=O |
Structure |
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