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BDBM93051 TLM analog, 8

SMILES: COC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O

InChI Key: InChIKey=HVZBKCZSQRQCCD-UPHFVGOQSA-N

Data: 1 KI  1 Kd

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 = 93051   
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
Beta-ketoacyl-ACP synthase (KasA) C171Q


(Mycobacterium tuberculosis)
BDBM93051
PNG
(TLM analog, 8)
Show SMILES COC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r|
Show InChI InChI=1S/C12H14O4S/c1-5-7(2)6-12(3)9(13)8(10(14)16-4)11(15)17-12/h5-6,8H,1H2,2-4H3/b7-6+/t8?,12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.19E+4n/an/an/an/an/an/a8.5n/a



Institute for Chemical Biology & Drug Discovery



Assay Description
Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...


J Biol Chem 288: 6045-52 (2013)


Article DOI: 10.1074/jbc.M112.414516
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase (KasA)


(Mycobacterium tuberculosis)
BDBM93051
PNG
(TLM analog, 8)
Show SMILES COC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r|
Show InChI InChI=1S/C12H14O4S/c1-5-7(2)6-12(3)9(13)8(10(14)16-4)11(15)17-12/h5-6,8H,1H2,2-4H3/b7-6+/t8?,12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.14E+4n/an/an/a8.5n/a



Institute for Chemical Biology & Drug Discovery



Assay Description
Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...


J Biol Chem 288: 6045-52 (2013)


Article DOI: 10.1074/jbc.M112.414516
More data for this
Ligand-Target Pair