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PDB code 2Y4A

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
D-alanyl-D-alanine carboxypeptidase

  (466/466 = 100%)
(Actinomadura sp. (strain R39))
BDBM50385263
PNG
(CHEMBL2035289)
Show SMILES OB(O)CNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
4.20E+4n/an/an/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Binding affinity to Actinomadura sp. R39 PBP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-alanyl-D-alanine carboxypeptidase

  (466/466 = 100%)
(Actinomadura sp. (strain R39))
BDBM50385263
PNG
(CHEMBL2035289)
Show SMILES OB(O)CNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 8.50E+4n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry


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

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output