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Target
Double-strand break repair protein MRE11
Ligand
BDBM572608
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:
BDBM572608
Synonyms:
2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N-(4-(4-(trifluoromethoxy)phenyl)thiazol-2-yl)propanamide | US11453663, Preparative Example 137
Type:
Small organic molecule
Emp. Form.:
C20H12Cl2F3N3O3S
Mol. Mass.:
502.294
SMILES:
Oc1c(Cl)cc(CC(C#N)C(=O)Nc2nc(cs2)-c2ccc(OC(F)(F)F)cc2)cc1Cl
Structure:
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