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PDB code 3MMX

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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
Probable nicotinate-nucleotide adenylyltransferase

  (189/189 = 100%)
(Bacillus anthracis)
BDBM50318662
PNG
(CHEMBL1084868 | [(2E)-1-{4-[(2-chlorophenyl)amino]...)
Show SMILES OC(=O)CN(\N=C\c1cccc2ccccc12)C(=O)CCC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C23H20ClN3O4/c24-19-10-3-4-11-20(19)26-21(28)12-13-22(29)27(15-23(30)31)25-14-17-8-5-7-16-6-1-2-9-18(16)17/h1-11,14H,12-13,15H2,(H,26,28)(H,30,31)/b25-14+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
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