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Compound IDNVIC0028
Compound Structure
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InhibitorLactitol
SMILESOC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
PubChem ID 157355
Drug Bank IDDB12942
ChemSpider ID138481
Targetmatrix protein (NiV-M)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of matrix protein (NiV-M)
Molecular Weight (in g/mol)344.31
H-bond Acceptor11
H-bond Donor9
No. of Rotatable Bonds8
LogP-5.76
Topological Polar Surface Area (Å)200.53
PUBMED ID38355980
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10866979/
Curator Email IDbhupender.thakur855@gmail.com