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Target
DNA cross-link repair 1A protein
Ligand
BDBM50247468
Substrate
n/a
Meas. Tech.
ChEMBL_1677808 (CHEMBL4027951)
IC50
247000±n/a nM
Citation
 Cain, R; Brem, J; Zollman, D; McDonough, MA; Johnson, RM; Spencer, J; Makena, A; Abboud, MI; Cahill, S; Lee, SY; McHugh, PJ; Schofield, CJ; Fishwick, CWG In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-?-lactamase Inhibitors. J Med Chem 61:1255-1260 (2018) [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:
BDBM50247468
Synonyms:
CHEMBL4076158
Type:
Small organic molecule
Emp. Form.:
C14H12O2S
Mol. Mass.:
244.309
SMILES:
OC(=O)c1ccc(cc1CS)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: