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Target
DNA topoisomerase 1
Ligand
BDBM50052414
Substrate
n/a
Meas. Tech.
ChEMBL_1300504 (CHEMBL3135820)
IC50
>250000±n/a nM
Citation
 Lin, H; Annamalai, T; Bansod, P; Tse-Dinh, YC; Sun, D Synthesis and antibacterial evaluation of anziaic acid and analogues as topoisomerase I inhibitors. Medchemcomm 4:0 (2013) [PubMed]  Article 
Target
Name:
DNA topoisomerase 1
Synonyms:
DNA topoisomerase I | supX
Type:
PROTEIN
Mol. Mass.:
97991.27
Organism:
Yersinia pestis
Description:
ChEMBL_104164
Residue:
871
Sequence:
MGKALVIVESPAKAKTINKYLGNDYVVKSSVGHIRDLPTSGSASKKSANSAEEKAKKDDKPKKKVKKDEKVALVNRMGVDPYHGWKAQYEILSGKEKVVAELKALAENADHIYLATDLDREGEAIAWHLREVIGGDDKRFSRVVFNEITKNAIQQAFNQPGELNISRVNAQQARRFMDRVVGYMVSPLLWKKIARGLSAGRVQSVAVRLVVEREKEIKAFVPEEYWELHADLVAKGDIPIQMEVTHAHGKPFKPVNREQTHAALTLLENARYKVLDREDKPTSSKPSAPFITSTLQQAASTRLSFGVKKTMMMAQRLYEAGHITYMRTDSTNLSQDALTMVRGYIGDNFGDKYLPATPNQYSSKENSQEAHEAIRPSDVNVLAEQLKDMEADAQRLYQLIWRQFVACQMPPAKYDSTTLTVQAGDFQLRAKGRTLRFDGWTKVMPALRKGDEDRTLPVIEVGSDLDLQKLIPSQHFTKPPARYSEASLVKELEKRGIGRPSTYASIISTIQDRGYVRVENRRFYAEKMGEIVTDRLEENFRELMNYDFTARMESGLDQVANDQAEWKAVLDGFFAEFSEQLEKAEKDPEEGGMRPNQMVMTSIDCPTCGRQMGIRTASTGVFLGCSGYALPPKERCKTTINLVPDAEILNILEGDDAETNALRARRRCQKCGTAMDSYLIDNQRKLHVCGNNPACDGYEIEAGEFRIKGYEGPIVECEKCGSEMHLKMGRFGKYMGCTNDECKNTRKILRSGEVAPPKEDPVPLLELPCEKSDAYFVLRDGAAGVFLAANTFPKSRETRAPLVEELVRFKDRLPEKLRYLADAPVVDKEGNKTLVRFSRKTKQQYVSSEKDGKATGWSAFYIDGKWVEAKK
  
Inhibitor
Name:
BDBM50052414
Synonyms:
4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene-7-carboxamido)benzoic acid | 4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)benzoic acid | 4-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-benzoic acid | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid | CHEMBL69367 | US9963439, AM580
Type:
Small organic molecule
Emp. Form.:
C22H25NO3
Mol. Mass.:
351.4388
SMILES:
CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Structure:
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