Reaction Details Report a problem with these data
Target
Glyceraldehyde-3-phosphate dehydrogenase, cytosolic
Ligand
BDBM50100503
Substrate
n/a
Meas. Tech.
ChEMBL_72768 (CHEMBL680373)
IC50
100000±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]
More Info.:
Target
Name:
Glyceraldehyde-3-phosphate dehydrogenase, cytosolic
Synonyms:
G3PC_LEIME | GAPC | GAPDH | Glyceraldehyde-3-phosphate dehydrogenase cytosolic | Glyceraldehyde-3-phosphate dehydrogenase, cytosolic
Type:
PROTEIN
Mol. Mass.:
35645.40
Organism:
Leishmania mexicana
Description:
ChEMBL_72768
Residue:
331
Sequence:
MVKVGINGFGRIGRVVFRAAQMRPDIEIVGINDLLDAEYMAYSLKYDSTHGRFDGTVEVIKGALVVNGKSIRVTSERDPANLKWDEIGVEVVVESTGLFLTQETAHKHIEAGARRVVMTGPPKDDTPMFVMGVNHTTYKGQPIISNASCTTNCLAPLAKVVNEKYGIVEGLMTTVHATTATQKTVDGPSLKDWRGGRGASQNIIPSSTGAPKAVGKVYPALDGKLTGMAFRVPTPNVSVVDLTVRLEKPATYKDICAAIKAAAEGEMKGILGYTDDEVVSSDFNGVALTSVFDVKAGISLNDHFVKLVSWYDNETGYSHKVLDLILHTSAR
Inhibitor
Name:
BDBM50100503
Synonyms:
4-Chloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-1-ylmethyl)-amino]-9H-purin-3-ylmethyl}-tetrahydro-furan-3-yl)-benzamide | CHEMBL65247
Type:
Small organic molecule
Emp. Form.:
C28H25ClN6O4
Mol. Mass.:
544.989
SMILES:
OC[C@H]1O[C@H]([C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12