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Compound IDNVIC0103
Compound Structure
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InhibitorSerpentinine
SMILESCC=C1CN2CCC3=C(C2CC1C(CC4=C[N+]5=C(CC6C(C5)C(OC=C6C(=O)OC)C)C7=C4C8=CC=CC=C8N7)C(=O)OC)NC9=CC=CC=C39
PubChem ID 5351576
Drug Bank ID\N
ChemSpider ID28424374
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)685.83
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds7
LogP6.19
Topological Polar Surface Area (Å)100.53
PUBMED ID36473711
Referencehttps://pubmed.ncbi.nlm.nih.gov/36473711/
Curator Email IDbhupender.thakur855@gmail.com