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Found 2 hits Enz. Inhib. hit(s) with Target = 'UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase' and Ligand = 'BDBM50137778'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Streptococcus pneumoniae (Firmicutes))
BDBM50137778
PNG
(2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C19H20ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10H,3-7H2,1-2H3,(H,22,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

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MMDB
PDB
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.


Bioorg Med Chem Lett 14: 267-70 (2003)


BindingDB Entry DOI: 10.7270/Q2R49Q55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Streptococcus pneumoniae (Firmicutes))
BDBM50137778
PNG
(2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C19H20ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10H,3-7H2,1-2H3,(H,22,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Chem Biol Drug Des 67: 58-65 (2006)


Article DOI: 10.1111/j.1747-0285.2005.00317.x
BindingDB Entry DOI: 10.7270/Q2GF0S0Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)