Reaction Details Report a problem with these data
Target
Double-strand break repair protein MRE11
Ligand
BDBM573128
Substrate
n/a
Meas. Tech.
HTS Assay
IC50
<2000±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:
BDBM573128
Synonyms:
2-cyano-N-(4-(2,4-dichlorophenyl)thiazol-2-yl)-3-(3,4-dihydroxyphenyl)propanamide | US11453663, Preparative Example 171
Type:
Small organic molecule
Emp. Form.:
C19H13Cl2N3O3S
Mol. Mass.:
434.296
SMILES:
Oc1ccc(CC(C#N)C(=O)Nc2nc(cs2)-c2ccc(Cl)cc2Cl)cc1O
Structure:
Search PDB for entries with ligand similarity: