Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50161780
Substrate
n/a
Meas. Tech.
ChEMBL_302802 (CHEMBL838510)
Ki
1.5±n/a nM
Citation
 Tondi, D; Venturelli, A; Ferrari, S; Ghelli, S; Costi, MP Improving specificity vs bacterial thymidylate synthases through N-dansyl modulation of didansyltyrosine. J Med Chem 48:913-6 (2005) [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:
BDBM50161780
Synonyms:
(S)-2-(4-Benzyloxycarbonylamino-naphthalene-1-sulfonylamino)-3-[4-(5-dimethylamino-naphthalene-1-sulfonyloxy)-phenyl]-propionic acid | CHEMBL425692
Type:
Small organic molecule
Emp. Form.:
C39H35N3O9S2
Mol. Mass.:
753.84
SMILES:
CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)c3ccccc23)C(O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: