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Record - 1 of 3   [TOP]
Compound IDNVIC0135
Compound Structure
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InhibitorCARS0358
SMILES[H][C@]12N(CC3=CC=CC=C3)CC[C@@]11C(NC3=C1C=CC=C3)=C(CC2([H])C[C@@]1(CC)COC(C)(C)O1)C(=O)OC
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
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)502.64
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds7
LogP5.46
Topological Polar Surface Area (Å)60.03
PUBMED ID35744699
Referencehttps://pubmed.ncbi.nlm.nih.gov/35744699/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 2 of 3   [TOP]
Compound IDNVIC0135
Compound Structure
DOWNLOAD:
InhibitorCARS0358
SMILES[H][C@]12N(CC3=CC=CC=C3)CC[C@@]11C(NC3=C1C=CC=C3)=C(CC2([H])C[C@@]1(CC)COC(C)(C)O1)C(=O)OC
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Targetfusion glycoprotein (NiV-F)
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 fusion glycoprotein (Niv-F)
Molecular Weight (in g/mol)502.64
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds7
LogP5.46
Topological Polar Surface Area (Å)60.03
PUBMED ID35744699
Referencehttps://pubmed.ncbi.nlm.nih.gov/35744699/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 3 of 3   [TOP]
Compound IDNVIC0135
Compound Structure
DOWNLOAD:
InhibitorCARS0358
SMILES[H][C@]12N(CC3=CC=CC=C3)CC[C@@]11C(NC3=C1C=CC=C3)=C(CC2([H])C[C@@]1(CC)COC(C)(C)O1)C(=O)OC
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Targetnucleoprotein
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 nucleoprotein
Molecular Weight (in g/mol)502.64
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds7
LogP5.46
Topological Polar Surface Area (Å)60.03
PUBMED ID35744699
Referencehttps://pubmed.ncbi.nlm.nih.gov/35744699/
Curator Email IDbhupender.thakur855@gmail.com