BDBM50330437 1,6-di-O-phosphono-D-fructose::2,3,4-trihydroxy-5-oxohexane-1,6-diyl bis(dihydrogen phosphate)::CHEMBL1235112

SMILES: OC(COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)COP(O)(O)=O

InChI Key: InChIKey=PMWDZCANQJYEEV-YZNZAMEGSA-N

Data: 5 KI  2 IC50

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 = 50330437   

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)	BDBM50330437 (1,6-di-O-phosphono-D-fructose | 2,3,4-trihydroxy-5...) Show SMILES OC(COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-5,7-9H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3?,4-,5-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	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 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)	BDBM50330437 (1,6-di-O-phosphono-D-fructose | 2,3,4-trihydroxy-5...) Show SMILES OC(COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-5,7-9H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3?,4-,5-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	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 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
Fructose-1,6-bisphosphate aldolase (FBA) (Mycobacterium tuberculosis (strain H37Rv))	BDBM50330437 (1,6-di-O-phosphono-D-fructose | 2,3,4-trihydroxy-5...) Show SMILES OC(COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-5,7-9H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3?,4-,5-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	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 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
Fructose-bisphosphate aldolase class II (Yersinia pestis)	BDBM50330437 (1,6-di-O-phosphono-D-fructose | 2,3,4-trihydroxy-5...) Show SMILES OC(COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-5,7-9H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3?,4-,5-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	5.50E+4	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 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)	BDBM50330437 (1,6-di-O-phosphono-D-fructose | 2,3,4-trihydroxy-5...) Show SMILES OC(COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-5,7-9H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3?,4-,5-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	8.50E+4	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 aldoloase, glycosomal (Trypanosoma brucei brucei)	BDBM50330437 (1,6-di-O-phosphono-D-fructose | 2,3,4-trihydroxy-5...) Show SMILES OC(COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-5,7-9H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3?,4-,5-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of His-tagged recombinant Trypanosoma brucei fructose bis-phosphate aldolase expressed in Escherichia coli using FBP as substrate after 5 ...				ACS Med Chem Lett 2: 804-808 (2011) Article DOI: 10.1021/ml200129s BindingDB Entry DOI: 10.7270/Q28S4QXB
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase A (Oryctolagus cuniculus)	BDBM50330437 (1,6-di-O-phosphono-D-fructose | 2,3,4-trihydroxy-5...) Show SMILES OC(COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-5,7-9H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3?,4-,5-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectrophotometry				ACS Med Chem Lett 2: 804-808 (2011) Article DOI: 10.1021/ml200129s BindingDB Entry DOI: 10.7270/Q28S4QXB
					More data for this Ligand-Target Pair