Target
Thymidylate synthase
Ligand
BDBM50005324
Substrate
n/a
Meas. Tech.
ChEBML_208947
Ki
8±n/a nM
Citation
 Reich, SHFuhry, MANguyen, DPino, MJWelsh, KMWebber, SJanson, CAJordan, SRMatthews, DASmith, WW Design and synthesis of novel 6,7-imidazotetrahydroquinoline inhibitors of thymidylate synthase using iterative protein crystal structure analysis. J Med Chem 35:847-58 (1992) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | Thymidylate Synthase (TS) | Thymidylate synthase | thyA
Type:
n/a
Mol. Mass.:
30487.86
Organism:
Escherichia coli
Description:
n/a
Residue:
264
Sequence:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI
  
Inhibitor
Name:
BDBM50005324
Synonyms:
4-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]quinolin-5-ylmethyl)-benzenesulfonyl]-phenol | CHEMBL169921
Type:
Small organic molecule
Emp. Form.:
C23H22N4O3S
Mol. Mass.:
434.511
SMILES:
Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccc(O)cc4)c3cc2[nH]1
Structure:
Search PDB for entries with ligand similarity: