Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50005186
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:
BDBM50005186
Synonyms:
(1,5-Dimethyl-2-methylimino-1,2-dihydro-benzo[cd]indol-6-yl)-methyl-[4-(morpholine-4-sulfonyl)-benzyl]-amine | 5,N*2*,N*6*-Trimethyl-N*6*-[4-(morpholine-4-sulfonyl)-benzyl]-benzo[cd]indole-2,6-diamine | CHEMBL9671
Type:
Small organic molecule
Emp. Form.:
C25H28N4O3S
Mol. Mass.:
464.58
SMILES:
CNC1=Nc2ccc(N(C)Cc3ccc(cc3)S(=O)(=O)N3CCOCC3)c3c(C)ccc1c23 |t:2|
Structure:
Search PDB for entries with ligand similarity: