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

Data: 2 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50330433   

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
Fructose-bisphosphate aldolase A (Oryctolagus cuniculus)	BDBM50330433 (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)	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...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)	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...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)	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...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)	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...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)	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...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)	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...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)	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