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BDBM50443773 CHEMBL1230528

SMILES: OCc1cn2ccsc2n1

InChI Key: InChIKey=GBUTVPCKMACQMG-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 2 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 = 50443773   
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
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Burkholderia pseudomallei (strain K96243))
BDBM50443773
PNG
(CHEMBL1230528)
Show SMILES OCc1cn2ccsc2n1
Show InChI InChI=1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-3,9H,4H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 1.35E+5n/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method


Bioorg Med Chem Lett 23: 6860-3 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)