Target
Glyceraldehyde-3-phosphate dehydrogenase
Ligand
BDBM50100488
Substrate
n/a
Meas. Tech.
ChEMBL_72892 (CHEMBL684059)
IC50
12000±n/a nM
Citation
 Bressi, JCVerlinde, CLAronov, AMShaw, MLShin, SSNguyen, LNSuresh, SBuckner, FSVan Voorhis, WCKuntz, IDHol, WGGelb, 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:
BDBM50100488
Synonyms:
CHEMBL431169 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(3-hydroxy-naphthalen-1-ylmethyl)-amino]-9H-purin-3-ylmethyl}-tetrahydro-furan-3-yl)-3-methoxy-benzamide
Type:
Small organic molecule
Emp. Form.:
C29H28N6O6
Mol. Mass.:
556.5692
SMILES:
COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
Structure:
Search PDB for entries with ligand similarity: