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Target
Glyceraldehyde-3-phosphate dehydrogenase
Ligand
BDBM50068142
Substrate
n/a
Meas. Tech.
ChEMBL_72900 (CHEMBL684215)
IC50
>530000±n/a nM
Citation
 Aronov, AM; Verlinde, CL; Hol, WG; Gelb, MH Selective tight binding inhibitors of trypanosomal glyceraldehyde-3-phosphate dehydrogenase via structure-based drug design. J Med Chem 41:4790-9 (1998) [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:
BDBM50068142
Synonyms:
CHEMBL345010 | N-[2-(6-Benzylamino-purin-9-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl]-3-methoxy-benzamide
Type:
Small organic molecule
Emp. Form.:
C25H26N6O5
Mol. Mass.:
490.5111
SMILES:
COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3ccccc3)ncnc12
Structure:
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