BDBM50280239 (3-Carboxy-6-hydroxy-5-phosphonooxy-cyclohex-3-enyl)-carboxymethyl-phosphonomethyl-ammonium

SMILES: O[C@@H]1[C@H](OP([O-])([O-])=O)C=C(C[C@H]1[NH+](CC([O-])=O)CP([O-])([O-])=O)C([O-])=O

InChI Key: InChIKey=PQLOPNDFAZZBHL-BHNWBGBOSA-I

Data: 2 KI  1 Kd

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 3 hits for monomerid = 50280239   

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
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50280239 ((3-Carboxy-6-hydroxy-5-phosphonooxy-cyclohex-3-eny...) Show SMILES O[C@@H]1[C@H](OP([O-])([O-])=O)C=C(C[C@H]1[NH+](CC([O-])=O)CP([O-])([O-])=O)C([O-])=O |c:8| Show InChI InChI=1S/C10H17NO12P2/c12-8(13)3-11(4-24(17,18)19)6-1-5(10(15)16)2-7(9(6)14)23-25(20,21)22/h2,6-7,9,14H,1,3-4H2,(H,12,13)(H,15,16)(H2,17,18,19)(H2,20,21,22)/p-5/t6-,7-,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the EPSP synthase by the compound expressed as weak apparent value				Bioorg Med Chem Lett 2: 1435-1440 (1992) Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50280239 ((3-Carboxy-6-hydroxy-5-phosphonooxy-cyclohex-3-eny...) Show SMILES O[C@@H]1[C@H](OP([O-])([O-])=O)C=C(C[C@H]1[NH+](CC([O-])=O)CP([O-])([O-])=O)C([O-])=O |c:8| Show InChI InChI=1S/C10H17NO12P2/c12-8(13)3-11(4-24(17,18)19)6-1-5(10(15)16)2-7(9(6)14)23-25(20,21)22/h2,6-7,9,14H,1,3-4H2,(H,12,13)(H,15,16)(H2,17,18,19)(H2,20,21,22)/p-5/t6-,7-,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant of the at EPSP synthase was determined				Bioorg Med Chem Lett 2: 1435-1440 (1992) Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50280239 ((3-Carboxy-6-hydroxy-5-phosphonooxy-cyclohex-3-eny...) Show SMILES O[C@@H]1[C@H](OP([O-])([O-])=O)C=C(C[C@H]1[NH+](CC([O-])=O)CP([O-])([O-])=O)C([O-])=O |c:8| Show InChI InChI=1S/C10H17NO12P2/c12-8(13)3-11(4-24(17,18)19)6-1-5(10(15)16)2-7(9(6)14)23-25(20,21)22/h2,6-7,9,14H,1,3-4H2,(H,12,13)(H,15,16)(H2,17,18,19)(H2,20,21,22)/p-5/t6-,7-,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant of the at EPSP synthase was determined				Bioorg Med Chem Lett 2: 1435-1440 (1992) Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244
					More data for this Ligand-Target Pair				3D Structure (docked)