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Target
Glyceraldehyde-3-phosphate dehydrogenase
Ligand
BDBM50096597
Substrate
n/a
Meas. Tech.
ChEMBL_69913 (CHEMBL682263)
IC50
60±n/a nM
Citation
 Kennedy, KJ; Bressi, JC; Gelb, MH A disubstituted NAD+ analogue is a nanomolar inhibitor of trypanosomal glyceraldehyde-3-phosphate dehydrogenase. Bioorg Med Chem Lett 11:95-8 (2001) [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:
BDBM50096597
Synonyms:
CHEMBL3350919 | NAD+ analogue
Type:
Small organic molecule
Emp. Form.:
C39H40N8O15P2
Mol. Mass.:
922.727
SMILES:
COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)O[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Structure:
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