| Reaction Details |
|---|
 | Report a problem with these data |
| Target | DNA gyrase subunit A/B |
|---|
| Ligand | BDBM50112815 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1513890 (CHEMBL3611455) |
|---|
| Ki | <17.7±n/a nM |
|---|
| Citation |  O'Dowd, H; Shannon, DE; Chandupatla, KR; Dixit, V; Engtrakul, JJ; Ye, Z; Jones, SM; O'Brien, CF; Nicolau, DP; Tessier, PR; Crandon, JL; Song, B; Macikenas, D; Hanzelka, BL; Le Tiran, A; Bennani, YL; Charifson, PS; Grillot, AL Discovery and Characterization of a Water-Soluble Prodrug of a Dual Inhibitor of Bacterial DNA Gyrase and Topoisomerase IV. ACS Med Chem Lett6:822-6 (2015) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| DNA gyrase subunit A/B |
|---|
| Name: | DNA gyrase subunit A/B |
|---|
| Synonyms: | DNA Gyrase |
|---|
| 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 subunit A (gyrA) | GYRA_STAAU | gyrA |
|---|
| Type: | Enzyme Subunit |
|---|
| Mol. Mass.: | 99588.82 |
|---|
| Organism: | Staphylococcus aureus |
|---|
| Description: | n/a |
|---|
| Residue: | 889 |
|---|
| Sequence: | MAELPQSRINERNITSEMRESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTP
DKSYKKSARIVGDVMGKYHPHGDSSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGDGAAA
MRYTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPNLLANGASGIAVGMA
TNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPDFPTAGLILGKSGIRRAYETGRGS
IQMRSRAVIEERGGGRQRIVVTEIPFQVNKARMIEKIAELVRDKKIDGITDLRDETSLRT
GVRVVIDVRKDANASVILNNLYKQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQK
TVVRRRTQYNLRKAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFKLSEK
QAQAILDMRLRRLTGLERDKIEAEYNELLNYISELEAILADEEVLLQLVRDELTEIRDRF
GDDRRTEIQLGGFEDLEDEDLIPEEQIVITLSHNNYIKRLPVSTYRAQNRGGRGVQGMNT
LEEDFVSQLVTLSTHDHVLFFTNKGRVYKLKGYEVPELSRQSKGIPVVNAIELENDEVIS
TMIAVKDLESEDNFLVFATKRGVVKRSALSNFSRINRNGKIAISFREDDELIAVRLTSGQ
EDILIGTSHASLIRFPESTLRPLGRTATGVKGITLREGDEVVGLDVAHANSVDEVLVVTE
NGYGKRTPVNDYRLSNRGGKGIKTATITERNGNVVCITTVTGEEDLMIVTNAGVIIRLDV
ADISQNGRAAQGVRLIRLGDDQFVSTVAKVKEDAEDETNEDEQSTSTVSEDGTEQQREAV
VNDETPGNAIHTEVIDSEENDEDGRIEVRQDFMDRVEEDIQQSLDEDEE
|
|
|
|---|
| Component 2 |
| Name: | DNA gyrase subunit B |
|---|
| Synonyms: | DNA gyrase | DNA gyrase subunit B (DNA gyraseB) | DNA gyrase subunit B (gyrB) | GYRB_STAAU | gyrB |
|---|
| Type: | Enzyme Subunit |
|---|
| Mol. Mass.: | 72530.91 |
|---|
| Organism: | Staphylococcus aureus |
|---|
| Description: | n/a |
|---|
| Residue: | 644 |
|---|
| Sequence: | MVTALSDVNNTDNYGAGQIQVLEGLEAVRKRPGMYIGSTSERGLHHLVWEIVDNSIDEAL
AGYANQIEVVIEKDNWIKVTDNGRGIPVDIQEKMGRPAVEVILTVLHAGGKFGGGGYKVS
GGLHGVGSSVVNALSQDLEVYVHRNETIYHQAYKKGVPQFDLKEVGTTDKTGTVIRFKAD
GEIFTETTVYNYETLQQRIRELAFLNKGIQITLRDERDEENVREDSYHYEGGIKSYVELL
NENKEPIHDEPIYIHQSKDDIEVEIAIQYNSGYATNLLTYANNIHTYEGGTHEDGFKRAL
TRVLNSYGLSSKIMKEEKDRLSGEDTREGMTAIISIKHGDPQFEGQTKTKLGNSEVRQVV
DKLFSEHFERFLYENPQVARTVVEKGIMAARARVAAKKAREVTRRKSALDVASLPGKLAD
CSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVEKARLDRILNNNEIRQ
MITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAHIRTLLLTFFYRFMRPLIEAGYVYIA
QPPLYKLTQGKQKYYVYNDRELDKLKSELNPTPKWSIARYKGLGEMNADQLWETTMNPEH
RALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYANLDF
|
|
|
|---|
| BDBM50112815 |
|---|
| n/a |
|---|
| Name | BDBM50112815 |
|---|
| Synonyms: | CHEMBL2221212 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C21H26FN6O6P |
|---|
| Mol. Mass. | 508.4399 |
|---|
| SMILES | CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)OP(O)(O)=O |r| |
|---|
| Structure | 
|
|---|
Search and Browse
