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Target
Thymidylate synthase
Ligand
BDBM50602554
Substrate
n/a
Meas. Tech.
ChEMBL_2241609 (CHEMBL5155819)
IC50
18550±n/a nM
Citation
 Li, Y; Ouyang, Y; Wu, H; Wang, P; Huang, Y; Li, X; Chen, H; Sun, Y; Hu, X; Wang, X; Li, G; Lu, Y; Li, C; Lu, X; Pang, J; Nie, T; Sang, X; Dong, L; Dong, W; Jiang, J; Paterson, IC; Yang, X; Hong, W; Wang, H; You, X The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates. Eur J Med Chem 228:0 (2022) [PubMed] 
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:
BDBM50602554
Synonyms:
CHEMBL525149 | TCMDC-137810
Type:
Small organic molecule
Emp. Form.:
C17H14FN5
Mol. Mass.:
307.325
SMILES:
Nc1nc(N)c2c3ccn(Cc4cccc(F)c4)c3ccc2n1
Structure:
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