Reaction Details Report a problem with these data
Target
DNA polymerase III PolC-type
Ligand
BDBM50182658
Substrate
n/a
Meas. Tech.
ChEMBL_334242 (CHEMBL861887)
Ki
41±n/a nM
Citation
 Zhi, C; Long, ZY; Manikowski, A; Comstock, J; Xu, WC; Brown, NC; Tarantino, PM; Holm, KA; Dix, EJ; Wright, GE; Barnes, MH; Butler, MM; Foster, KA; LaMarr, WA; Bachand, B; Bethell, R; Cadilhac, C; Charron, S; Lamothe, S; Motorina, I; Storer, R Hybrid antibacterials. DNA polymerase-topoisomerase inhibitors. J Med Chem 49:1455-65 (2006) [PubMed]  Article 
Target
Name:
DNA polymerase III PolC-type
Synonyms:
DNA polymerase III | DNA polymerase IIIC | DNA-directed DNA polymerase | DPO3_BACSU | PolIII | dnaF | mutI | polC
Type:
Enzyme
Mol. Mass.:
162625.67
Organism:
Bacillus subtilis
Description:
Enzyme was purified from recombinant strains.
Residue:
1437
Sequence:
MEQLSVNRRQFQILLQQINMTDDTFMTYFEHGEIKKLTIHKASKSWHFHFQFKSLLPFQIYDTLTTRLTQSFAHIAKVTSSIEVQDAEVSESIVQDYWSRCIEELQGISPPIISLLNQQKPKLKGNKLIVKTKTDTEAAALKNKYSSMIQAEYRQFGFPDLQLDAEIFVSEQEVQKFREQKLAEDQERAMQALIEMEKKDKESDEDQAPSGPLVIGYQIKDNEEIRTLDSIMDEERRITVQGYVFDVETRELKSGRTLCIFKITDYTNSILIKMFAREKEDAALMKSLKKGMWVKARGSIQNDTFVRDLVMIANDVNEIKAKTREDSAPEGEKRVELHLHSPMSQMDAVTGIGKLVEQAKKWGHEAIALTDHAVVQSFPDAYSAAKKHGIKMIYGMEANLVDDGVPIAYNAAHRLLEEETYVVFDVETTGLSAVYDTIIELAAVKVKGGEIIDKFEAFANPHRPLSATIIELTGITDDMLQDAPDVVDVIRDFREWIGDDILVAHNASFDMGFLNVAYKKLLEVEKAKNPVIDTLELGRFLYPEFKNHRLNTLCKKFDIELTQHHRAIYDTEATAYLLLKMLKDAAEKGIQYHDELNENMGQSNAYQRSRPYHATLLAVNSTGLKNLFKLVSLSHIHYFYRVPRIPRSQLEKYREGLLIGSACDRGEVFEGMMQKSPEEVEDIASFYDYLEVQPPEVYRHLLELELVRDEKALKEIIANITKLGEKLNKPVVATGNVHYLNDEDKIYRKILISSQGGANPLNRHELPKVHFRTTDEMLEAFSFLGEEKAKEIVVTNTQKVASLVDDIKPIKDDLYTPKIEGADEEIREMSYQRARSIYGEELPEIVEARIEKELKSIIGHGFAVIYLISHKLVKRSLDDGYLVGSRGSVGSSLVATLTEITEVNPLPPHYVCPECQHSEFFNDGSVGSGFDLPDKTCPHCGTPLKKDGHDIPFETFLGFKGDKVPDIDLNFSGEYQPQAHNYTKVLFGEDNVYRAGTIGTVAEKTAYGYVKGYAGDNNLHMRGAEIDRLVQGCTGVKRTTGQHPGGIIVVPDYMDIYDFSPIQFPADATGSEWKTTHFDFHSIHDNLLKLDILGHDDPTVIRMLQDLSGIDPKTIPTDDPEVMKIFQGTESLGVTEEQIGCKTGTLGIPEFGTRFVRQMLEDTKPTTFSELVQISGLSHGTDVWLGNAQELIHNNICELSEVIGCRDDIMVYLIYQGLEPSLAFKIMEFVRKGKGLTPEWEEEMKNNNVPDWYIDSCKKIKYMFPKAHAAAYVLMAVRIAYFKVHHALLYYAAYFTVRADDFDIDTMIKGSTAIRAVMEDINAKGLDASPKEKNLLTVLELALEMCERGYSFQKVDLYRSSATEFIIDGNSLIPPFNSIPGLGTNAALNIVKAREEGEFLSKEDLQKRGKVSKTILEYLDRHGCLESLPDQNQLSLF
  
Inhibitor
Name:
BDBM50182658
Synonyms:
3-{5-[1-(1-cyclopropyl-3-carboxy-6-fluoro-4-oxo-7-quinolyl)-3-(1,3-diazabicyclononyl)]pentyl}-6-(3-ethyl-4-methylanilino)-uracil | CHEMBL203701
Type:
Small organic molecule
Emp. Form.:
C38H45FN6O5
Mol. Mass.:
684.7995
SMILES:
CCc1cc(Nc2cc(=O)n(CCCCCN3CC4CCCN(C4C3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C
Structure:
Search PDB for entries with ligand similarity: