We use cookies to improve your website experience and to gain insights into our websites' users, traffic and traffic providers to make it even better. You consent to our cookies if you continue to use our website.

Job #308 - RG2_VIRAL_3

Created at: Last updated at: Current status:

See Detailed Output Download CSV

Overall Progress

95.854%

Ligand Models 1

Name	LIGAND 137
2D and 3D depictions
SMILES	Cc4c(/N=N/c3cc(/N=N/c1ccc(S(=O)(=O)[O-])c2ccccc12)c(N)cc3N)cc(S(=O)(=O)[O-])cc4/N=N/c8ccc(/N=N/c7cc(/N=N/c5ccc(S(=O)(=O)[O-])c6ccccc56)c(N)cc7N)c9ccccc89
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10

Ligand Models 2

Name	LIGAND_65
2D and 3D depictions
SMILES	COC8OC7C(COC(=O)CCC(=O)NC4C(OCc1ccccc1)OC(COCc2ccccc2)C(OCc3ccccc3)C4OCc5ccccc5)OC(n6cnc(C(N)=O)n6)C7O8
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10

Ligand Models 3

Name	LIGAND 70
2D and 3D depictions
SMILES	O=C(O)c6cc(C(c4cc(Cc3cc(C(c1ccc(O)c(C(=O)O)c1)c2ccc(O)c(C(=O)O)c2)cc(C(=O)O)c3O)cc(C(=O)O)c4O)=c5ccc(=O)c(C(=O)O)c5)ccc6O
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10

Ligand Models 4

Name	LIGAND 40
2D and 3D depictions
SMILES	C#CC4C16OPO/C=C1/OC5(n3cnc2c(=O)[nH]c(N)nc23)OC456
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10