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Target
Glyceraldehyde-3-phosphate dehydrogenase
Ligand
BDBM50100465
Substrate
n/a
Meas. Tech.
ChEMBL_72892 (CHEMBL684059)
IC50
14000±n/a nM
Citation
 Bressi, JC; Verlinde, CL; Aronov, AM; Shaw, ML; Shin, SS; Nguyen, LN; Suresh, S; Buckner, FS; Van Voorhis, WC; Kuntz, ID; Hol, WG; Gelb, MH Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of Trypanosomatidae via structure-based drug design. J Med Chem 44:2080-93 (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:
BDBM50100465
Synonyms:
3,5-Dihydroxy-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-1-ylmethyl)-amino]-9H-purin-3-ylmethyl}-tetrahydro-furan-3-yl)-N-methyl-benzamide | CHEMBL303730
Type:
Small organic molecule
Emp. Form.:
C28H26N6O6
Mol. Mass.:
542.5426
SMILES:
OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(O)cc(O)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
Structure:
Search PDB for entries with ligand similarity: