Reaction Details Report a problem with these data
Target
Glyceraldehyde-3-phosphate dehydrogenase
Ligand
BDBM50144451
Substrate
n/a
Meas. Tech.
ChEMBL_72894 (CHEMBL684061)
IC50
5000±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 | glyceraldehyde-3-phosphate dehydrogenase
Type:
PROTEIN
Mol. Mass.:
36060.86
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1511315
Residue:
335
Sequence:
MGKVKVGVNGFGRIGRLVTRAAFNSGKVDIVAINDPFIDLNYMVYMFQYDSTHGKFHGTVKAENGKLVINGNPITIFQERDPSKIKWGDAGAEYVVESTGVFTTMEKAGAHLQGGAKRVIISAPSADAPMFVMGVNHEKYDNSLKIISNASCTTNCLAPLAKVIHDNFGIVEGLMTTVHAITATQKTVDGPSGKLWRDGRGALQNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTANVSVVDLTCRLEKPAKYDDIKKVVKQASEGPLKGILGYTEHQVVSSDFNSDTHSSTFDAGAGIALNDHFVKLISWYDNEFGYSNRVVDLMAHMASKE
  
Inhibitor
Name:
BDBM50144451
Synonyms:
CHEMBL307758 | Phosphoric acid mono-((2R,5R)-3-hydroxy-4-(3-methoxy-benzoylamino)-5-{6-[(naphthalen-1-ylmethyl)-amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl) ester
Type:
Small organic molecule
Emp. Form.:
C29H29N6O8P
Mol. Mass.:
620.5497
SMILES:
COc1cccc(c1)C(=O)NC1C(O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Structure:
Search PDB for entries with ligand similarity: