BDBM23447 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide::Chloramphenicol::Chlornitromycin::Chloromycetin

SMILES OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=WIIZWVCIJKGZOK-UHFFFAOYSA-N

Data  1 KI  5 IC50  1 EC50  3 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23447   

TargetMethionine--tRNA ligase, mitochondrial(Human)
University of Washington

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 23447BDBM23447(Chloromycetin | 2,2-dichloro-N-[(1R,2R)-1,3-dihydr...)
Affinity DataEC50:  7.90E+3nMAssay Description:Inhibition of mitochondrial MetRS-mediated mitochondrial protein synthesis in human HepG2 cells measured after 6 days by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 23447   

CellTranscriptional Regulator TtgR(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringeChemical structure of BindingDB Monomer ID 23447BDBM23447(Chloromycetin | 2,2-dichloro-N-[(1R,2R)-1,3-dihydr...)
ITC DataΔG°: -6.87kcal/mole −TΔS°: 9.41kcal/mole ΔH°: -16.3kcal/mole logk: 9.17E+4
pH: 7.0 T: 30.00°C 
CellTranscriptional Regulator TtgR(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringeChemical structure of BindingDB Monomer ID 23447BDBM23447(Chloromycetin | 2,2-dichloro-N-[(1R,2R)-1,3-dihydr...)
ITC DataΔG°: -6.64kcal/mole −TΔS°: 6.74kcal/mole ΔH°: -13.4kcal/mole logk: 6.30E+4
pH: 7.0 T: 30.00°C 
CellTranscriptional Regulator TtgR-DNA(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringeChemical structure of BindingDB Monomer ID 23447BDBM23447(Chloromycetin | 2,2-dichloro-N-[(1R,2R)-1,3-dihydr...)
ITC DataΔG°: -6.37kcal/mole −TΔS°: 4.91kcal/mole ΔH°: -11.3kcal/mole logk: 4.00E+4
pH: 7.0 T: 30.00°C