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BDBM93083 Analogue of 1a, 8a

SMILES: CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=NTXAKLDOOQBMCR-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 = 93083   
Target
(Institution)
LigandTarget
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)
BDBM93083
PNG
(Analogue of 1a, 8a)
Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H18N4O4S/c1-21(27(25,26)14-10-6-3-7-11-14)15-16(19)22(18(24)20-17(15)23)12-13-8-4-2-5-9-13/h2-11H,12,19H2,1H3,(H,20,23,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 73n/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)