BindingDB logo
myBDB logout

BDBM93085 Analogue of 1a, 15a

SMILES: Nc1c(NS(=O)(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1

InChI Key: InChIKey=VEUJHCYBBDYKBP-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 = 93085   
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)
BDBM93085
PNG
(Analogue of 1a, 15a)
Show SMILES Nc1c(NS(=O)(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C17H16N4O4S/c18-15-14(20-26(24,25)13-9-5-2-6-10-13)16(22)19-17(23)21(15)11-12-7-3-1-4-8-12/h1-10,20H,11,18H2,(H,19,22,23)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

Similars

PDB
Article
PubMed
n/an/a 1.32E+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)

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