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BDBM50036217 (2S,3R)-3-Carboxy-3-hydroxy-2-methylsulfanyl-pentanedioic acid::CHEMBL446428

InChI string: InChI=1S/C7H10O7S/c1-15-4(5(10)11)7(14,6(12)13)2-3(8)9/h4,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-,7+/m1/s1

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

InChI Key: InChIKey=PQGXOXCDSNMDRS-FBCQKBJTSA-N

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036217   
Target
(Institution)
LigandTarget
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
ATP-citrate synthase


(Rattus norvegicus)
BDBM50036217
PNG
((2S,3R)-3-Carboxy-3-hydroxy-2-methylsulfanyl-penta...)
Show SMILES CS[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C7H10O7S/c1-15-4(5(10)11)7(14,6(12)13)2-3(8)9/h4,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-,7+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
3.40E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate


J Med Chem 38: 537-43 (1995)

More data for this
Ligand-Target Pair