Reaction Details Report a problem with these data
Target
DNA topoisomerase 4 subunit A/B
Ligand
BDBM24602
Substrate
BDBM2
Meas. Tech.
DNA Gyrase ATPase Assay
Ki
680±n/a nM
Citation
Charifson, PS; Grillot, AL; Grossman, TH; Parsons, JD; Badia, M; Bellon, S; Deininger, DD; Drumm, JE; Gross, CH; LeTiran, A; Liao, Y; Mani, N; Nicolau, DP; Perola, E; Ronkin, S; Shannon, D; Swenson, LL; Tang, Q; Tessier, PR; Tian, SK; Trudeau, M; Wang, T; Wei, Y; Zhang, H; Stamos, D Novel dual-targeting benzimidazole urea inhibitors of DNA gyrase and topoisomerase IV possessing potent antibacterial activity: intelligent design and evolution through the judicious use of structure-guided design and structure-activity relationships. J Med Chem 51:5243-63 (2008) [PubMed] Article
More Info.:
Target
Name:
DNA topoisomerase 4 subunit A/B
Synonyms:
DNA Topoisomerase IV
Type:
C2E2 tetramer
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
DNA topoisomerase 4 subunit A
Synonyms:
DNA Topoisomerase IV Subunit A | DNA topoisomerase 4 subunit A (parC) | PARC_ECOLI | parC
Type:
Enzyme Subunit
Mol. Mass.:
83831.33
Organism:
Escherichia coli (strain K12)
Description:
n/a
Residue:
752
Sequence:
MSDMAERLALHEFTENAYLNYSMYVIMDRALPFIGDGLKPVQRRIVYAMSELGLNASAKFKKSARTVGDVLGKYHPHGDSACYEAMVLMAQPFSYRYPLVDGQGNWGAPDDPKSFAAMRYTESRLSKYSELLLSELGQGTADWVPNFDGTLQEPKMLPARLPNILLNGTTGIAVGMATDIPPHNLREVAQAAIALIDQPKTTLDQLLDIVQGPDYPTEAEIITSRAEIRKIYENGRGSVRMRAVWKKEDGAVVISALPHQVSGARVLEQIAAQMRNKKLPMVDDLRDESDHENPTRLVIVPRSNRVDMDQVMNHLFATTDLEKSYRINLNMIGLDGRPAVKNLLEILSEWLVFRRDTVRRRLNYRLEKVLKRLHILEGLLVAFLNIDEVIEIIRNEDEPKPALMSRFGLTETQAEAILELKLRHLAKLEEMKIRGEQSELEKERDQLQGILASERKMNNLLKKELQADAQAYGDDRRSPLQEREEAKAMSEHDMLPSEPVTIVLSQMGWVRSAKGHDIDAPGLNYKAGDSFKAAVKGKSNQPVVFVDSTGRSYAIDPITLPSARGQGEPLTGKLTLPPGATVDHMLMESDDQKLLMASDAGYGFVCTFNDLVARNRAGKALITLPENAHVMPPVVIEDASDMLLAITQAGRMLMFPVSDLPQLSKGKGNKIINIPSAEAARGEDGLAQLYVLPPQSTLTIHVGKRKIKLRPEELQKVTGERGRRGTLMRGLQRIDRVEIDSPRRASSGDSEE
Component 2
Name:
DNA topoisomerase 4 subunit B
Synonyms:
DNA Topoisomerase IV Subunit B | DNA topoisomerase 4 subunit B (parE) | PARE_ECOLI | nfxD | parE
Type:
Enzyme Subunit
Mol. Mass.:
70233.03
Organism:
Escherichia coli (strain K12)
Description:
n/a
Residue:
630
Sequence:
MTQTYNADAIEVLTGLEPVRRRPGMYTDTTRPNHLGQEVIDNSVDEALAGHAKRVDVILHADQSLEVIDDGRGMPVDIHPEEGVPAVELILCRLHAGGKFSNKNYQFSGGLHGVGISVVNALSKRVEVNVRRDGQVYNIAFENGEKVQDLQVVGTCGKRNTGTSVHFWPDETFFDSPRFSVSRLTHVLKAKAVLCPGVEITFKDEINNTEQRWCYQDGLNDYLAEAVNGLPTLPEKPFIGNFAGDTEAVDWALLWLPEGGELLTESYVNLIPTMQGGTHVNGLRQGLLDAMREFCEYRNILPRGVKLSAEDIWDRCAYVLSVKMQDPQFAGQTKERLSSRQCAAFVSGVVKDAFILWLNQNVQAAELLAEMAISSAQRRMRAAKKVVRKKLTSGPALPGKLADCTAQDLNRTELFLVEGDSAGGSAKQARDREYQAIMPLKGKILNTWEVSSDEVLASQEVHDISVAIGIDPDSDDLSQLRYGKICILADADSDGLHIATLLCALFVKHFRALVKHGHVYVALPPLYRIDLGKEVYYALTEEEKEGVLEQLKRKKGKPNVQRFKGLGEMNPMQLRETTLDPNTRRLVQLTIDDEDDQRTDAMMDMLLAKKRSEDRRNWLQEKGDMAEIEV
Inhibitor
Name:
BDBM24602
Synonyms:
3-ethyl-1-[6-fluoro-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea | Benzimidazole urea analogue, 6
Type:
Small organic molecule
Emp. Form.:
C15H14FN5O
Mol. Mass.:
299.303
SMILES:
CCNC(=O)Nc1nc2cc(c(F)cc2[nH]1)-c1cccnc1
Substrate
Name:
BDBM2
Synonyms:
({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid | ATP | Brimonidine ATP | CHEMBL14249
Type:
Nucleoside or nucleotide
Emp. Form.:
C10H16N5O13P3
Mol. Mass.:
507.181
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|