Reaction Details |
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Target | Glyceraldehyde-3-phosphate dehydrogenase |
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Ligand | BDBM50100471 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_72887 (CHEMBL684054) |
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IC50 | 7000±n/a nM |
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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 Chem44:2080-93 (2001) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Glyceraldehyde-3-phosphate dehydrogenase |
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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: | MGKVKVGVNGFGRIGRLVTRAAFNSGKVDIVAINDPFIDLNYMVYMFQYDSTHGKFHGTV
KAENGKLVINGNPITIFQERDPSKIKWGDAGAEYVVESTGVFTTMEKAGAHLQGGAKRVI
ISAPSADAPMFVMGVNHEKYDNSLKIISNASCTTNCLAPLAKVIHDNFGIVEGLMTTVHA
ITATQKTVDGPSGKLWRDGRGALQNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTANV
SVVDLTCRLEKPAKYDDIKKVVKQASEGPLKGILGYTEHQVVSSDFNSDTHSSTFDAGAG
IALNDHFVKLISWYDNEFGYSNRVVDLMAHMASKE
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BDBM50100471 |
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n/a |
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Name | BDBM50100471 |
Synonyms: | CHEMBL303934 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-1-ylmethyl)-amino]-9H-purin-3-ylmethyl}-tetrahydro-furan-3-yl)-3,5-dimethoxy-benzamide | N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE |
Type | Small organic molecule |
Emp. Form. | C30H30N6O6 |
Mol. Mass. | 570.5958 |
SMILES | COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |
Structure |
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