BindingDB logo
myBDB logout

BDBM93081 Analogue of 1a, 2

SMILES: Nc1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O

InChI Key: InChIKey=HTIBHRPLOZXHDY-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 93081   
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
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93081
PNG
(Analogue of 1a, 2)
Show SMILES Nc1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H11N3O3/c12-8-9(15)13-11(17)14(10(8)16)6-7-4-2-1-3-5-7/h1-5,16H,6,12H2,(H,13,15,17)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.14E+3n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)