BDBM50330433 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate::CHEMBL1236228::N-(4-hydroxybutyl)-glycolohydroxamicacid bis-phosphate
SMILES: ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O
InChI Key: InChIKey=GZQWGEFAYHQQKX-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Fructose-bisphosphate aldolase A (Oryctolagus cuniculus) | BDBM50330433![]() (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.12E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Paris-Sud Curated by ChEMBL | Assay Description Inhibition of rabbit muscle zinc dependent class 1 Fba expressed in Escherichia coli | J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fructose-bisphosphate aldolase (Helicobacter pylori) | BDBM50330433![]() (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Paris-Sud Curated by ChEMBL | Assay Description Inhibition of Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109 | J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Fructose-bisphosphate aldolase (Candida albicans) | BDBM50330433![]() (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) | KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Paris-Sud Curated by ChEMBL | Assay Description Inhibition of Candida albicans zinc dependent class 2 Fba | J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fructose-bisphosphate aldolase class II (Yersinia pestis) | BDBM50330433![]() (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) | PDB MMDB KEGG B.MOAD GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Paris-Sud Curated by ChEMBL | Assay Description Inhibition of Yersinia pestis zinc dependent class 2 Fba expressed in Escherichia coli BL21(DE3) | J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fructose-bisphosphate aldolase (Candida albicans) | BDBM50330433![]() (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) | KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 3.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Paris-Sud Curated by ChEMBL | Assay Description Inhibition of Candida albicans zinc dependent class 2 Fba | J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fructose-1,6-bisphosphate aldolase (FBA) (Mycobacterium tuberculosis (strain H37Rv)) | BDBM50330433![]() (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) | PDB UniProtKB/SwissProt GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Paris-Sud Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis zinc dependent class 2 Fba | J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Fructose-bisphosphate aldolase (Candida albicans) | BDBM50330433![]() (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) | KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Paris-Sud Curated by ChEMBL | Assay Description Inhibition of Candida albicans zinc dependent class 2 Fba | J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC | |||||||||||
More data for this Ligand-Target Pair |