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Target
Thymidylate synthase
Ligand
BDBM50314076
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
>27000±n/a nM
Citation
 Gangjee, A Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof US Patent  US9422297 Publication Date 8/23/2016 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_ECOLI | Thymidylate Synthase (TS) | thyA
Type:
Enzyme
Mol. Mass.:
30475.81
Organism:
Escherichia coli
Description:
n/a
Residue:
264
Sequence:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI
  
Inhibitor
Name:
BDBM50314076
Synonyms:
5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamine | CHEMBL1093099 | US9422297, AAG-148-43
Type:
Small organic molecule
Emp. Form.:
C16H13N5S
Mol. Mass.:
307.373
SMILES:
Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21
Structure:
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