Reaction Details |
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Target | DNA topoisomerase 4 subunit A/B |
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Ligand | BDBM24610 |
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Substrate/Competitor | BDBM2 |
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Meas. Tech. | DNA Gyrase ATPase Assay |
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Ki | 1300±n/a nM |
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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 Chem51:5243-63 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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DNA topoisomerase 4 subunit A/B |
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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: | MSDMAERLALHEFTENAYLNYSMYVIMDRALPFIGDGLKPVQRRIVYAMSELGLNASAKF
KKSARTVGDVLGKYHPHGDSACYEAMVLMAQPFSYRYPLVDGQGNWGAPDDPKSFAAMRY
TESRLSKYSELLLSELGQGTADWVPNFDGTLQEPKMLPARLPNILLNGTTGIAVGMATDI
PPHNLREVAQAAIALIDQPKTTLDQLLDIVQGPDYPTEAEIITSRAEIRKIYENGRGSVR
MRAVWKKEDGAVVISALPHQVSGARVLEQIAAQMRNKKLPMVDDLRDESDHENPTRLVIV
PRSNRVDMDQVMNHLFATTDLEKSYRINLNMIGLDGRPAVKNLLEILSEWLVFRRDTVRR
RLNYRLEKVLKRLHILEGLLVAFLNIDEVIEIIRNEDEPKPALMSRFGLTETQAEAILEL
KLRHLAKLEEMKIRGEQSELEKERDQLQGILASERKMNNLLKKELQADAQAYGDDRRSPL
QEREEAKAMSEHDMLPSEPVTIVLSQMGWVRSAKGHDIDAPGLNYKAGDSFKAAVKGKSN
QPVVFVDSTGRSYAIDPITLPSARGQGEPLTGKLTLPPGATVDHMLMESDDQKLLMASDA
GYGFVCTFNDLVARNRAGKALITLPENAHVMPPVVIEDASDMLLAITQAGRMLMFPVSDL
PQLSKGKGNKIINIPSAEAARGEDGLAQLYVLPPQSTLTIHVGKRKIKLRPEELQKVTGE
RGRRGTLMRGLQRIDRVEIDSPRRASSGDSEE
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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: | MTQTYNADAIEVLTGLEPVRRRPGMYTDTTRPNHLGQEVIDNSVDEALAGHAKRVDVILH
ADQSLEVIDDGRGMPVDIHPEEGVPAVELILCRLHAGGKFSNKNYQFSGGLHGVGISVVN
ALSKRVEVNVRRDGQVYNIAFENGEKVQDLQVVGTCGKRNTGTSVHFWPDETFFDSPRFS
VSRLTHVLKAKAVLCPGVEITFKDEINNTEQRWCYQDGLNDYLAEAVNGLPTLPEKPFIG
NFAGDTEAVDWALLWLPEGGELLTESYVNLIPTMQGGTHVNGLRQGLLDAMREFCEYRNI
LPRGVKLSAEDIWDRCAYVLSVKMQDPQFAGQTKERLSSRQCAAFVSGVVKDAFILWLNQ
NVQAAELLAEMAISSAQRRMRAAKKVVRKKLTSGPALPGKLADCTAQDLNRTELFLVEGD
SAGGSAKQARDREYQAIMPLKGKILNTWEVSSDEVLASQEVHDISVAIGIDPDSDDLSQL
RYGKICILADADSDGLHIATLLCALFVKHFRALVKHGHVYVALPPLYRIDLGKEVYYALT
EEEKEGVLEQLKRKKGKPNVQRFKGLGEMNPMQLRETTLDPNTRRLVQLTIDDEDDQRTD
AMMDMLLAKKRSEDRRNWLQEKGDMAEIEV
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BDBM24610 |
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BDBM2 |
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Name | BDBM24610 |
Synonyms: | 1-[5,7-bis(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-3-ethylurea | Benzimidazole urea analogue, 14 |
Type | Small organic molecule |
Emp. Form. | C20H18N6O |
Mol. Mass. | 358.3965 |
SMILES | CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1cccnc1 |
Structure |
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