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Compound IDNVIC0063
Compound Structure
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InhibitorHypericin
SMILESCC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O
PubChem ID 3663
Drug Bank IDDB13014
ChemSpider ID4444511
Targetattachment glycoprotein (Niv-G)
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 attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)504.44
H-bond Acceptor8
H-bond Donor6
No. of Rotatable Bonds0
LogP5.76
Topological Polar Surface Area (Å)155.52
PUBMED ID36808582
Referencehttps://pubmed.ncbi.nlm.nih.gov/36808582/
Curator Email IDbhupender.thakur855@gmail.com