BDBM50487150 BUT-3-YNYL DIPHOSPHATE

SMILES: OP(O)(=O)OP(O)(=O)OCCC#C

InChI Key: InChIKey=GYFWQGOZWDTPGX-UHFFFAOYSA-N

Data: 1 KI  1 IC50

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 50487150   

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
(E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH) (Aquifex aeolicus)	BDBM50487150 (BUT-3-YNYL DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCCC#C Show InChI InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h1H,3-4H2,(H,8,9)(H2,5,6,7)	PDB UniProtKB/SwissProt GoogleScholar	KEGG PC cid PC sid PDB UniChem	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
(E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH) (Aquifex aeolicus)	BDBM50487150 (BUT-3-YNYL DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCCC#C Show InChI InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h1H,3-4H2,(H,8,9)(H2,5,6,7)	PDB UniProtKB/SwissProt GoogleScholar	KEGG PC cid PC sid PDB UniChem	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair