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BDBM93045 TLM analog, 2

SMILES: C\C(C=C)=C/[C@@]1(C)SC(=O)CC1=O

InChI Key: InChIKey=PQQVKJDXGRPECL-VQCYPWCPSA-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 = 93045   
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)
BDBM93045
PNG
(TLM analog, 2)
Show SMILES C\C(C=C)=C/[C@@]1(C)SC(=O)CC1=O
Show InChI InChI=1S/C10H12O2S/c1-4-7(2)6-10(3)8(11)5-9(12)13-10/h4,6H,1,5H2,2-3H3/b7-6+/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.69E+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)

More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase (KasA)


(Mycobacterium tuberculosis)
BDBM93045
PNG
(TLM analog, 2)
Show SMILES C\C(C=C)=C/[C@@]1(C)SC(=O)CC1=O
Show InChI InChI=1S/C10H12O2S/c1-4-7(2)6-10(3)8(11)5-9(12)13-10/h4,6H,1,5H2,2-3H3/b7-6+/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.47E+5n/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)

More data for this
Ligand-Target Pair