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Target
Thymidylate synthase
Ligand
BDBM50005210
Substrate
n/a
Meas. Tech.
ChEMBL_209651 (CHEMBL811592)
Ki
2±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:
BDBM50005210
Synonyms:
(2-Imino-1-methyl-1,2-dihydro-benzo[cd]indol-6-yl)-methyl-[4-(morpholine-4-sulfonyl)-benzyl]-amine; 0.5C6H6 | AG-331 | CHEMBL9440 | N*6*-Methyl-N*6*-[4-(morpholine-4-sulfonyl)-benzyl]-benzo[cd]indole-2,6-diamine
Type:
Small organic molecule
Emp. Form.:
C23H24N4O3S
Mol. Mass.:
436.527
SMILES:
CN(Cc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc2N=C(N)c3cccc1c23 |t:24|
Structure:
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