Reaction Details Report a problem with these data
Target
Glyceraldehyde-3-phosphate dehydrogenase
Ligand
BDBM50144452
Substrate
n/a
Meas. Tech.
ChEMBL_72894 (CHEMBL684061)
IC50
100±n/a nM
Citation
 Leitão, A; Andricopulo, AD; Oliva, G; Pupo, MT; de Marchi, AA; Vieira, PC; da Silva, MF; Ferreira, VF; de Souza, MC; Sá, MM; Moraes, VR; Montanari, CA Structure-activity relationships of novel inhibitors of glyceraldehyde-3-phosphate dehydrogenase. Bioorg Med Chem Lett 14:2199-204 (2004) [PubMed]  Article 
Target
Name:
Glyceraldehyde-3-phosphate dehydrogenase
Synonyms:
G3P_HUMAN | GAPD | GAPDH | Glyceraldehyde-3-phosphate dehydrogenase liver
Type:
PROTEIN
Mol. Mass.:
36060.86
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1511315
Residue:
335
Sequence:
MGKVKVGVNGFGRIGRLVTRAAFNSGKVDIVAINDPFIDLNYMVYMFQYDSTHGKFHGTVKAENGKLVINGNPITIFQERDPSKIKWGDAGAEYVVESTGVFTTMEKAGAHLQGGAKRVIISAPSADAPMFVMGVNHEKYDNSLKIISNASCTTNCLAPLAKVIHDNFGIVEGLMTTVHAITATQKTVDGPSGKLWRDGRGALQNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTANVSVVDLTCRLEKPAKYDDIKKVVKQASEGPLKGILGYTEHQVVSSDFNSDTHSSTFDAGAGIALNDHFVKLISWYDNEFGYSNRVVDLMAHMASKE
  
Inhibitor
Name:
BDBM50144452
Synonyms:
Adenosine analogue | CHEMBL3559427
Type:
Small organic molecule
Emp. Form.:
C40H42N8O15P2
Mol. Mass.:
936.7536
SMILES:
COc1cccc(c1)C(=O)NC1C(O)[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H](C(O)C2O)[n+]2ccc(cc2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Structure:
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