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TargetThymidylate synthase
LigandBDBM50014494
Substrate/Competitorn/a
Meas. Tech.ChEMBL_628669
IC50 58±n/a nM
Citation Srivastava, VGupta, SPSiddiqi, MIMishra, BN 3D-QSAR studies on quinazoline antifolate thymidylate synthase inhibitors by CoMFA and CoMSIA models. Eur J Med Chem45:1560-71 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thymidylate synthase
Name:Thymidylate synthase/GAR transformylase/AICAR transformylase
Synonyms:TS | TSase | Thymidylate synthase (TS)
Type:Enzyme
Mol. Mass.:35718.07
Organism:Homo sapiens (Human)
Description:n/a
Residue:313
Sequence:
MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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  Blast E-value cutoff:
BDBM50014494
NameBDBM50014494
Synonyms:(S)-2-(2-fluoro-4-(((4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid | 2-{2-Fluoro-4-[(4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL420280
TypeSmall organic molecule
Emp. Form.C24H21FN4O6
Mol. Mass.480.4451
SMILESOC(=O)CC[C@H](NC(=O)c1ccc(cc1F)N(CC#C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a