CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS5B POLYMERASE IN COMPLEX WITH THIENOPYRROLE-BASED FINGER-LOOP INHIBITORS
PDB id Source Resolution
2WCX 2.0 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
VGC Valid ic50 =  0.025 uM   launch gocavviewer-lite   339.451
C20 H21 N O2 S
 Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=O)O

OPTIMIZATION OF THIENOPYRROLE-BASED FINGER-LOOP INH OF THE HEPATITIS C VIRUS NS5B POLYMERASE. CHEMMEDCHEM V. 4 1695 2009

More Information
External References
PDB
Pubmed
Biounit Downloads
This PDB
This Family
This Class
Comma Separated Files
This PDB
This Family
This Class
Download BindingMOAD
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