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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)
LigandTarget/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
pHTemp
°C
(E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH)


(Aquifex aeolicus)
BDBM50487150
PNG
(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
60n/an/an/an/an/an/an/an/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
PNG
(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/an/a 450n/an/an/an/an/an/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