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Target
Thymidylate synthase
Ligand
BDBM50005203
Substrate
n/a
Meas. Tech.
ChEMBL_209651 (CHEMBL811592)
Ki
34±n/a nM
Citation
 Greer, J; Erickson, JW; Baldwin, JJ; Varney, MD Application of the three-dimensional structures of protein target molecules in structure-based drug design. J Med Chem 37:1035-54 (1994) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase
Type:
Enzyme
Mol. Mass.:
35718.07
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
313
Sequence:
MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50005203
Synonyms:
(4-Benzenesulfonyl-benzyl)-(2-imino-1-methyl-1,2-dihydro-benzo[cd]indol-6-yl)-methyl-amine | CHEMBL275685 | N*6*-(4-Benzenesulfonyl-benzyl)-N*6*-methyl-benzo[cd]indole-2,6-diamine
Type:
Small organic molecule
Emp. Form.:
C25H21N3O2S
Mol. Mass.:
427.518
SMILES:
CN(Cc1ccc(cc1)S(=O)(=O)c1ccccc1)c1ccc2N=C(N)c3cccc1c23 |t:24|
Structure:
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