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SMILES: CN(C)CCCS(=O)(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1

InChI Key: InChIKey=GTJMWLKWMPRNKA-UHFFFAOYSA-N

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 = 489214   
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
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase


(Human)
BDBM489214
PNG
(US10961233, Example 69)
Show SMILES CN(C)CCCS(=O)(=O)N1CCN(CC1)c1ccc(Br)c(NC(=O)c2coc(N)n2)c1
Show InChI InChI=1S/C19H27BrN6O4S/c1-24(2)6-3-11-31(28,29)26-9-7-25(8-10-26)14-4-5-15(20)16(12-14)22-18(27)17-13-30-19(21)23-17/h4-5,12-13H,3,6-11H2,1-2H3,(H2,21,23)(H,22,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
n/an/a<10n/an/an/an/an/an/a



LIFEARC

US Patent


Assay Description
5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...


US Patent US10961233 (2021)

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