Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50443313
Substrate
n/a
Meas. Tech.
ChEMBL_1274595 (CHEMBL3089853)
Ki
310±n/a nM
Citation
 Ferrari, S; Calò, S; Leone, R; Luciani, R; Costantino, L; Sammak, S; Di Pisa, F; Pozzi, C; Mangani, S; Costi, MP 2'-Deoxyuridine 5'-monophosphate substrate displacement in thymidylate synthase through 6-hydroxy-2H-naphtho[1,8-bc]furan-2-one derivatives. J Med Chem 56:9356-60 (2013) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
THYA | TSase | TYSY_PNECA | Thymidylate Synthase (TS)
Type:
Enzyme
Mol. Mass.:
34362.44
Organism:
Pneumocystis carinii
Description:
n/a
Residue:
297
Sequence:
MVNAEEQQYLNLVQYIINHGEDRPDRTGTGTLSVFAPSPLKFSLRNKTFPLLTTKRVFIRGVIEELLWFIRGETDSLKLREKNIHIWDANGSREYLDSIGLTKRQEGDLGPIYGFQWRHFGAEYIDCKTNYIGQGVDQLANIIQKIRTSPYDRRLILSAWNPADLEKMALPPCHMFCQFYVHIPSNNHRPELSCQLYQRSCDMGLGVPFNIASYALLTCMIAHVCDLDPGDFIHVMGDCHIYKDHIEALQQQLTRSPRPFPTLSLNRSITDIEDFTLDDFNIQNYHPYETIKMKMSI
  
Inhibitor
Name:
BDBM50443313
Synonyms:
CHEMBL3088233
Type:
Small organic molecule
Emp. Form.:
C19H9NO4
Mol. Mass.:
315.2791
SMILES:
O=C(Oc1ccc2OC(=O)c3cccc1c23)c1cccc(c1)C#N
Structure:
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