BDBM50565060 CHEMBL4800285

SMILES CCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

InChI Key InChIKey=WHJSYVVAGQVYEC-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50565060   

TargetLong-chain-fatty-acid--AMP ligase FadD28(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50565060(CHEMBL4800285)
Affinity DataKi:  8.80E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetMedium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50565060(CHEMBL4800285)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of Mycobacterium tuberculosis H37Rv FACL19 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed