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Target
DNA cross-link repair 1A protein
Ligand
BDBM50572158
Substrate
n/a
Meas. Tech.
ChEMBL_2116440 (CHEMBL4825381)
IC50
238000±n/a nM
Citation
 Berney, M; Doherty, W; Jauslin, WT; T Manoj, M; Dürr, EM; McGouran, JF Synthesis and evaluation of squaramide and thiosquaramide inhibitors of the DNA repair enzyme SNM1A. Bioorg Med Chem 46:0 (2021) [PubMed]  Article 
Target
Name:
DNA cross-link repair 1A protein
Synonyms:
DCLRE1A | DCR1A_HUMAN | DNA cross-link repair 1A protein | KIAA0086 | SNM1 | SNM1 homolog A | SNM1A | hSNM1 | hSNM1A
Type:
PROTEIN
Mol. Mass.:
116420.41
Organism:
Homo sapiens
Description:
ChEMBL_117508
Residue:
1040
Sequence:
MLEDISEEDIWEYKSKRKPKRVDPNNGSKNILKSVEKATDGKYQSKRSRNRKRAAEAKEVKDHEVPLGNAGCQTSVASSQNSSCGDGIQQTQDKETTPGKLCRTQKSQHVSPKIRPVYDGYCPNCQMPFSSLIGQTPRWHVFECLDSPPRSETECPDGLLCTSTIPFHYKRYTHFLLAQSRAGDHPFSSPSPASGGSFSETKSGVLCSLEERWSSYQNQTDNSVSNDPLLMTQYFKKSPSLTEASEKISTHIQTSQQALQFTDFVENDKLVGVALRLANNSEHINLPLPENDFSDCEISYSPLQSDEDTHDIDEKPDDSQEQLFFTESSKDGSLEEDDDSCGFFKKRHGPLLKDQDESCPKVNSFLTRDKYDEGLYRFNSLNDLSQPISQNNESTLPYDLACTGGDFVLFPPALAGKLAASVHQATKAKPDEPEFHSAQSNKQKQVIEESSVYNQVSLPLVKSLMLKPFESQVEGYLSSQPTQNTIRKLSSENLNAKNNTNSACFCRKALEGVPVGKATILNTENLSSTPAPKYLKILPSGLKYNARHPSTKVMKQMDIGVYFGLPPKRKEEKLLGESALEGINLNPVPSPNQKRSSQCKRKAEKSLSDLEFDASTLHESQLSVELSSERSQRQKKRCRKSNSLQEGACQKRSDHLINTESEAVNLSKVKVFTKSAHGGLQRGNKKIPESSNVGGSRKKTCPFYKKIPGTGFTVDAFQYGVVEGCTAYFLTHFHSDHYAGLSKHFTFPVYCSEITGNLLKNKLHVQEQYIHPLPLDTECIVNGVKVVLLDANHCPGAVMILFYLPNGTVILHTGDFRADPSMERSLLADQKVHMLYLDTTYCSPEYTFPSQQEVIRFAINTAFEAVTLNPHALVVCGTYSIGKEKVFLAIADVLGSKVGMSQEKYKTLQCLNIPEINSLITTDMCSSLVHLLPMMQINFKGLQSHLKKCGGKYNQILAFRPTGWTHSNKFTRIADVIPQTKGNISIYGIPYSEHSSYLEMKRFVQWLKPQKIIPTVNVGTWKSRSTMEKYFREWKLEAGY
  
Inhibitor
Name:
BDBM50572158
Synonyms:
CHEMBL4875792
Type:
Small organic molecule
Emp. Form.:
C18H24N4O4S2
Mol. Mass.:
424.538
SMILES:
CCN(CC)c1c(NC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)c(=S)c1=S |r|
Structure:
Search PDB for entries with ligand similarity: