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Target
DNA gyrase subunit A
Ligand
BDBM50521804
Substrate
n/a
Meas. Tech.
ChEMBL_1885325 (CHEMBL4386907)
IC50
19±n/a nM
Citation
 Narramore, S; Stevenson, CEM; Maxwell, A; Lawson, DM; Fishwick, CWG New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg Med Chem 27:3546-3550 (2019) [PubMed]  Article 
Target
Name:
DNA gyrase subunit A
Synonyms:
5.6.2.2 | DNA gyrase subunit A | gyrA
Type:
PROTEIN
Mol. Mass.:
97006.20
Organism:
Escherichia coli
Description:
ChEMBL_117105
Residue:
875
Sequence:
MSDLAREITPVNIEEELKSSYLDYAMSVIVGRALPDVRDGLKPVHRRVLYAMNVLGNDWNKAYKKSARVVGDVIGKYHPHGDSAVYDTIVRMAQPFSLRYMLVDGQGNFGSIDGDSAAAMRYTEIRLAKIAHELMADLEKETVDFVDNYDGTEKIPDVMPTKIPNLLVNGSSGIAVGMATNIPPHNLTEVINGCLAYIDDEDISIEGLMEHIPEPDFPTAAIINGRRGIEEAYRTGRGKVYIRARAEVEVDAKTGRETIIVHEIPYQVNKARLIEKIAELVKEKRVEGISALRDESDKDGMRIVIEVKRDAVGEVVLNNLYSQTQLQVSFGINMVALHHGQPKIMNLKDIIAAFVRHRREVVTRRTIFELRKARDRAHILEALAVALANIDPIIELIRHAPTPAEAKTALVANPWQLGNVAAMLERAGDDAARPEWLEPEFGVRDGLYYLTEQQAQAILDLRLQKLTGLEHEKLLDEYKELLDQIAELLRILGSADRLMEVIREELELVREQFGDKRRTEITANSADINLEDLITQEDVVVTLSHQGYVKYQPLSEYEAQRRGGKGKSAARIKEEDFIDRLLVANTHDHILCFSSRGRVYSMKVYQLPEATRGARGRPIVNLLPLEQDERITAILPVTEFEEGVKVFMATANGTVKKTVLTEFNRLRTAGKVAIKLVDGDELIGVDLTSGEDEVMLFSAEGKVVRFKESSVRAMGCNTTGVRGIRLGEGDKVVSLIVPRGDGAILTATQNGYGKRTAVAEYPTKSRATKGVISIKVTERNGLVVGAVQVDDCDQIMMITDAGTLVRTRVSEISIVGRNTQGVILIRTAEDENVVGLQRVAEPVDEEDLDTIDGSAAEGDDEIAPEVDVDDEPEEE
  
Inhibitor
Name:
BDBM50521804
Synonyms:
CHEMBL4581035
Type:
Small organic molecule
Emp. Form.:
C21H22N6O3
Mol. Mass.:
406.4378
SMILES:
CCNC(=O)Nc1cc(Nc2ccc(OC)cc2)c(cn1)C(=O)Nc1cccnc1
Structure:
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