Reaction Details |
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Target | DNA gyrase subunit A/B |
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Ligand | BDBM50249821 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2012765 (CHEMBL4666343) |
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IC50 | 71±n/a nM |
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Citation | Tiz, DB; Skok, ?; Durcik, M; Toma?i?, T; Ma?i?, LP; Ila?, J; Zega, A; Draskovits, G; Révész, T; Nyerges, Á; Pál, C; Cruz, CD; Tammela, P; ?igon, D; Kikelj, D; Zidar, N An optimised series of substituted N-phenylpyrrolamides as DNA gyrase B inhibitors. Eur J Med Chem167:269-290 (2019) [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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BDBM50249821 |
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n/a |
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Name | BDBM50249821 |
Synonyms: | CHEMBL4756218 |
Type | Small organic molecule |
Emp. Form. | C26H32Cl2N4O7 |
Mol. Mass. | 583.461 |
SMILES | C[C@@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCN(CC2)C(=O)OC(C)(C)C)c1)C(O)=O |r| |
Structure |
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