Ki Summary

Reaction Details

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Target

DNA gyrase subunit A/B

Ligand

BDBM50491327

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_958305 (CHEMBL2382449)

IC50

6250±n/a nM

Citation

Mitton-Fry, MJ; Brickner, SJ; Hamel, JC; Brennan, L; Casavant, JM; Chen, M; Chen, T; Ding, X; Driscoll, J; Hardink, J; Hoang, T; Hua, E; Huband, MD; Maloney, M; Marfat, A; McCurdy, SP; McLeod, D; Plotkin, M; Reilly, U; Robinson, S; Schafer, J; Shepard, RM; Smith, JF; Stone, GG; Subramanyam, C; Yoon, K; Yuan, W; Zaniewski, RP; Zook, C Novel quinoline derivatives as inhibitors of bacterial DNA gyrase and topoisomerase IV. Bioorg Med Chem Lett23:2955-61 (2013) [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

BDBM50491327

n/a

Name

BDBM50491327

Synonyms:

CHEMBL2382388

Type

Small organic molecule

Emp. Form.

C27H33N3O5

Mol. Mass.

479.568

SMILES

COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ncc(C)o3)c2c1 |r,wU:10.10,14.13,19.20,(11.29,-16.54,;12.63,-15.77,;13.96,-16.54,;13.96,-18.09,;15.29,-18.86,;16.63,-18.08,;17.96,-18.85,;19.29,-18.07,;19.29,-16.52,;17.95,-15.76,;17.94,-14.22,;16.6,-13.46,;19.27,-13.45,;20.61,-14.21,;21.94,-13.43,;23.27,-14.2,;24.6,-13.43,;24.6,-11.89,;23.26,-11.13,;21.92,-11.9,;20.59,-11.14,;19.26,-11.91,;20.58,-9.6,;25.93,-11.12,;27.42,-11.5,;27.81,-9.99,;26.35,-9.61,;29.14,-9.21,;29.29,-7.67,;30.79,-7.34,;31.57,-8.67,;33.1,-8.82,;30.55,-9.82,;16.62,-16.54,;15.29,-15.77,)|

Structure