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Target
Double-strand break repair protein MRE11
Ligand
BDBM572545
Substrate
n/a
Meas. Tech.
HTS Assay
IC50
6000±n/a nM
Citation
 Paruch, K; Carbain, B; Havel, S; Vsiansky, V; Nikulenkov, F; Krejci, L Substituted propanamides as inhibitors of nucleases US Patent  US11453663 Publication Date 9/27/2022 
Target
Name:
Double-strand break repair protein MRE11
Synonyms:
Double-strand break repair protein MRE11A | HNGS1 | HNGS1 | MRE11 | MRE11 homolog 1 | MRE11 homolog A | MRE11A | MRE11_HUMAN | Meiotic recombination 11 homolog 1 | Meiotic recombination 11 homolog A
Type:
PROTEIN
Mol. Mass.:
80583.26
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109117
Residue:
708
Sequence:
MSTADALDDENTFKILVATDIHLGFMEKDAVRGNDTFVTLDEILRLAQENEVDFILLGGDLFHENKPSRKTLHTCLELLRKYCMGDRPVQFEILSDQSVNFGFSKFPWVNYQDGNLNISIPVFSIHGNHDDPTGADALCALDILSCAGFVNHFGRSMSVEKIDISPVLLQKGSTKIALYGLGSIPDERLYRMFVNKKVTMLRPKEDENSWFNLFVIHQNRSKHGSTNFIPEQFLDDFIDLVIWGHEHECKIAPTKNEQQLFYISQPGSSVVTSLSPGEAVKKHVGLLRIKGRKMNMHKIPLHTVRQFFMEDIVLANHPDIFNPDNPKVTQAIQSFCLEKIEEMLENAERERLGNSHQPEKPLVRLRVDYSGGFEPFSVLRFSQKFVDRVANPKDIIHFFRHREQKEKTGEEINFGKLITKPSEGTTLRVEDLVKQYFQTAEKNVQLSLLTERGMGEAVQEFVDKEEKDAIEELVKYQLEKTQRFLKERHIDALEDKIDEEVRRFRETRQKNTNEEDDEVREAMTRARALRSQSEESASAFSADDLMSIDLAEQMANDSDDSISAATNKGRGRGRGRRGGRGQNSASRGGSQRGRADTGLETSTRSRNSKTAVSASRNMSIIDAFKSTRQQPSRNVTTKNYSEVIEVDESDVEEDIFPTTSKTDQRWSSTSSSKIMSQSQVSKGVDFESSEDDDDDPFMNTSSLRRNRR
  
Inhibitor
Name:
BDBM572545
Synonyms:
2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-(p-tolyl)thiazol-2-yl)propanamide | US11453663, Preparative Example 133
Type:
Small organic molecule
Emp. Form.:
C20H17N3O3S
Mol. Mass.:
379.432
SMILES:
Cc1ccc(cc1)-c1csc(NC(=O)C(Cc2ccc(O)c(O)c2)C#N)n1
Structure:
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