BDBM50281998 (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid::3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid::CHEMBL290345::[3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid::shikimic acid

SMILES: O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O

InChI Key: InChIKey=JXOHGGNKMLTUBP-HSUXUTPPSA-N

Data: 1 IC50

PDB links: 37 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 1 hit for monomerid = 50281998   

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))	BDBM50281998 ((3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carbox...) Show SMILES O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O |r,c:3| Show InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article	n/a	n/a	>9.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (crystal)