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Target
DNA topoisomerase 4 subunit A
Ligand
BDBM50518935
Substrate
n/a
Meas. Tech.
ChEMBL_1873692 (CHEMBL4374981)
IC50
3900±n/a nM
Citation
 Magarņ, G; Prati, F; Garofalo, B; Corso, G; Furlotti, G; Apicella, C; Mangano, G; D'Atanasio, N; Robinson, D; Di Giorgio, FP; Ombrato, R Virtual Screening Approach and Investigation of Structure-Activity Relationships To Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens. J Med Chem 62:7445-7472 (2019) [PubMed]  Article 
Target
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
  
Inhibitor
Name:
BDBM50518935
Synonyms:
CHEMBL4591085
Type:
Small organic molecule
Emp. Form.:
C26H25N5O2
Mol. Mass.:
439.509
SMILES:
O=c1cc(NCCCN2CCN(CC2)c2nc(cc3ccccc23)C#N)c2ccccc2o1
Structure:
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