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Target
Thymidylate synthase
Ligand
BDBM50035006
Substrate
n/a
Meas. Tech.
ChEMBL_209776 (CHEMBL815566)
Ki
14±n/a nM
Citation
 Varney, MD; Palmer, CL; Deal, JG; Webber, S; Welsh, KM; Bartlett, CA; Morse, CA; Smith, WW; Janson, CA Synthesis and biological evaluation of novel 2,6-diaminobenz[cd]indole inhibitors of thymidylate synthase using the protein structure as a guide. J Med Chem 38:1892-903 (1995) [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:
BDBM50035006
Synonyms:
CHEMBL434980 | N*6*-Methyl-N*6*-(2-methyl-pyridin-4-ylmethyl)-benzo[cd]indole-2,6-diamine
Type:
Small organic molecule
Emp. Form.:
C19H18N4
Mol. Mass.:
302.373
SMILES:
CN(Cc1ccnc(C)c1)c1ccc2N=C(N)c3cccc1c23 |t:15|
Structure:
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