NOVEL THIAZOLONES AS HCV NS5B POLYMERASE INHIBITORS: FURTHER DESIGNS, SYNTHESIS, SAR AND X-RAY COMPLEX STRUCTURE
PDB id Source Resolution
2I1R 2.2 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
VXR Valid ic50 =  9.7 uM   launch gocavviewer-lite   398.414
C18 H15 F N6 O2 S
 CCc1ccc(o1)C=C/2C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4[nH]nnn4

NOVEL THIAZOLONES AS HCV NS5B POLYMERASE ALLOSTERIC INHIBITORS: FURTHER DESIGNS, SAR, AND X-RAY COMPLEX STRUCTURE. BIOORG.MED.CHEM.LETT. V. 17 63 2007

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90% Homology Family

The Class containing this family consists of a total of 8 families.
Leader:    3GNW
HCV NS5B POLYMERASE IN COMPLEX WITH 1,5 BENZODIAZEPINE
INHIB
PDB id Binding data Representative ligand
3GNW Kd = 0.79 nM XNC
1GX5   GTP
1GX6   UTP
1NHU Ki = 2.2 uM 153
1OS5 Kd = 0.14 uM NH1
1YVF ic50 = 0.1 uM PH7
2BRK   CMF
2BRL   POO
2D3U Ki = 0.12 uM CCT
2D3Z ic50 = 0.2918 uM FIH
2D41 ic50 = 0.31 uM SNH
2DXS ic50 = 0.046 uM JTP
2FVC ic50 = 32.0 nM 888
2GC8 ic50 = 3.1 uM 885
2GIQ ic50 = 131.0 nM NN2
2GIR ic50 = 140.0 nM NN3
2HAI ic50 = 0.53 uM PFI
2HWH ic50 = 2.0 uM RNA
2HWI ic50 = 3.0 uM VRX
2I1R ic50 = 9.7 uM VXR
2JC0 ic50 = 20.0 uM 699
2JC1 ic50 = 3.8 uM 698
2O5D ic50 = 7.0 uM VR1
2WCX ic50 = 0.025 uM VGC
2WHO ic50 = 0.02 uM VGI
3BR9 ic50 = 0.062 uM DEY
3BSA   1PD
3CDE ic50 < 0.01 uM N3H
3CIZ   SX1
3CJ0   SX2
3CJ2 ic50 = 17.0 uM SX3
3CJ3 ic50 = 57.0 uM SX4
3CJ4 ic50 = 1.0 uM SX5
3CJ5 ic50 = 0.25 uM SX6
3CO9   3MS
3CVK ic50 < 0.01 uM N34
3CWJ ic50 < 0.01 uM 321
3D28 ic50 = 1.4 uM B34
3D5M ic50 < 0.01 uM 4MS
3E51 ic50 = 0.014 uM N35
3FQK ic50 = 0.081 uM 79Z
3FQL Kd = 0.071 uM 79Z
3FRZ   AG0
3G86 ic50 = 0.0050 uM T18
3GYN ic50 = 0.047 uM B42
3H2L   YAK
3H59   H59
3H5S ic50 = 0.0050 uM H5S
3H5U ic50 = 0.0030 uM H5U
3H98 ic50 < 0.0050 uM B5P
3HHK ic50 = 6.0 nM 77Z
3HKY Kd = 2.3 nM IX6
3LKH ic50 = 0.8 uM LT6
3MF5 ic50 = 0.042 uM HJZ
3PHE ic50 = 0.016 uM C9A
3Q0Z   23E
3QGF   46F
3SKA ic50 = 0.017 uM 053
3SKE ic50 = 0.032 uM 054
3SKH ic50 = 0.9 uM 058
3U4O ic50 = 0.053 uM 08E
3U4R ic50 = 0.039 uM 08F
3UDL   KLI