Receptor
PDB id Resolution Class Description Source Keywords
2jc1 2 Å EC: 2.7.7.48 CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB698223 HEPATITIS C VIRUS HEPATITIS POLYMERASE HYDROLASE
Ref.: OPTIMIZATION OF NOVEL ACYL PYRROLIDINE INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE LEADING TO A DEVELOPMENT CANDIDATE. J.MED.CHEM. V. 50 897 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data Chemaxon Viewer Molecular Weight (Da) Formula SMILES
698 A:600;
B:600;
Valid;
Valid;
none;
none;
ic50 = 3.8 uM 458.57 C24 H30 N2 O5 S CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GNW 2.39 Å EC: 2.7.7.48 HCV NS5B POLYMERASE IN COMPLEX WITH 1,5 BENZODIAZEPINE INHIB HEPATITIS C VIRUS ISOLATE 1 5-BENZODIAZEPINES HEPATITIS C VIRUS NS5B POLYMERASE SUAPOPTOSIS ATP-BINDING CAPSID PROTEIN CELL MEMBRANE ENDORETICULUM ENVELOPE PROTEIN FUSION PROTEIN GLYCOPROTEIN HOST-VIRUS INTERACTION HYDROLASE INTERFERON ANTIVIRAL SYSEVASION LIPID DROPLET LIPOPROTEIN MEMBRANE METAL-BINDINMITOCHONDRION MULTIFUNCTIONAL ENZYME NUCLEOTIDE-BINDING NUCLEOTIDYLTRANSFERASE NUCLEUS ONCOGENE PALMITATE PHOSPHOPROTEIN PROTEASE RIBONUCLEOPROTEIN RNA REPLICATIOBINDING RNA-DIRECTED RNA POLYMERASE SECRETED SERINE PROTSH3-BINDING THIOL PROTEASE TRANSCRIPTION TRANSCRIPTION REGULATION TRANSFERASE TRANSMEMBRANE VIRAL NUCLEOPROTEIN
Ref.: STRUCTURE-BASED DESIGN OF A BENZODIAZEPINE SCAFFOLD POTENT ALLOSTERIC INHIBITOR OF HEPATITIS C NS5B RNA POLYMERASE. J.MED.CHEM. V. 52 4099 2009
Members (93)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4JU6 ic50 = 0.67 uM 1O6 C24 H29 N O4 CC1CCC(CC1....
2 4JJU - 1MB C21 H12 F5 N3 O2 c1cc(c(nc1....
3 1OS5 Kd = 0.14 uM NH1 C29 H37 N O4 S Cc1cc(c(cc....
4 3CO9 - 3MS C20 H23 N5 O6 S2 CC(C)CCN1C....
5 3CJ3 ic50 = 57 uM SX4 C18 H18 Br Cl N2 O c1ccc(c(c1....
6 3U4R ic50 = 0.039 uM 08F C27 H23 Cl N6 O6 S2 CS(=O)(=O)....
7 3UDL - KLI C31 H26 F5 N5 O2 CN1CCN(CC1....
8 3GNW Kd = 0.79 nM XNC C34 H32 F N3 O5 S Cc1cccc(n1....
9 3CJ5 ic50 = 0.25 uM SX6 C22 H30 Br N3 O4 C[C@H]1C[C....
10 4MK8 ic50 = 1 nM 28Q C25 H30 N2 O4 S CC(C)(C)c1....
11 3SKA ic50 = 0.017 uM 053 C21 H15 F3 N4 O3 c1cc2c(cc1....
12 2JC0 ic50 = 20 uM 699 C22 H22 F3 N O5 S CC(C)C[C@]....
13 2GIR ic50 = 140 nM NN3 C22 H27 N O3 S CC1CCC(CC1....
14 3HHK ic50 = 6 nM 77Z C23 H26 N4 O6 S CC(C)CCN1c....
15 3UPI ic50 = 6 nM 0C2 C25 H21 F2 N3 O5 S C[C@@H]1CO....
16 3TYV ic50 = 0.008 uM HI3 C25 H20 F3 N3 O4 S Cc1cc2c(cc....
17 3H2L - YAK C23 H23 F N4 O6 S2 CS(=O)(=O)....
18 3D28 ic50 = 1.4 uM B34 C21 H20 N2 O4 S CC(C)[C@H]....
19 4IH7 Kd = 5.8 uM 1ER C15 H17 N O CC(C)(C)c1....
20 3CIZ - SX1 C7 H6 Br N O2 c1cc(c(cc1....
21 4J06 ic50 = 4.6 uM 1JG C11 H7 Br Cl N O4 S2 c1cc(c(cc1....
22 4IZ0 ic50 ~ 100 uM 2BI C10 H7 Cl3 N2 O3 S Cc1cc(no1)....
23 3HKY Kd = 2.3 nM IX6 C30 H32 F N3 O6 S Cc1c(nc(o1....
24 2O5D ic50 = 7 uM VR1 C24 H19 F N4 O7 S2 CCc1ccc(o1....
25 3PHE ic50 = 0.016 uM C9A C30 H29 Cl F N3 O5 S CN1CCN(CC1....
26 3CJ2 ic50 = 17 uM SX3 C14 H19 Br N2 O C[C@@H]1C[....
27 4J08 ic50 = 0.22 uM 1JH C20 H17 N O5 S Cc1ccc(cc1....
28 3CWJ ic50 < 0.01 uM 321 C22 H24 N4 O6 S3 CC(C)CCN1C....
29 3FQK ic50 = 0.081 uM 79Z C22 H23 F N2 O5 S CNC(=O)c1c....
30 3BSA - 1PD C21 H22 N6 O6 S2 CC(C)CCN1C....
31 2WHO ic50 = 0.02 uM VGI C20 H15 BR N2 O3 c1cc(cc(c1....
32 3LKH ic50 = 0.8 uM LT6 C23 H29 F N2 O4 CCCCN(C)C(....
33 4EO6 Kd = 0.002 uM 0S2 C22 H31 N O3 S CC1CCC(CC1....
34 2D3Z ic50 = 0.2918 uM FIH C18 H14 F N O4 S2 Cc1ccc(cc1....
35 4EO8 Kd = 0.007 uM 0S3 C21 H30 N2 O3 S CC1CCC(CC1....
36 3FQL Kd = 0.071 uM 79Z C22 H23 F N2 O5 S CNC(=O)c1c....
37 4J04 ic50 = 11 uM 1JF C13 H7 Cl4 N O4 S c1cc(c(cc1....
38 3CJ4 ic50 = 1 uM SX5 C18 H23 Br N2 O4 C[C@@H]1C[....
39 4J0A ic50 = 0.31 uM 1JL C20 H17 N O5 S Cc1ccc(cc1....
40 3GYN ic50 = 0.047 uM B42 C24 H34 N4 O6 S2 CC(C)CC[C@....
41 3G86 ic50 = 0.005 uM T18 C25 H19 F2 N3 O6 S2 CS(=O)(=O)....
42 3QGF - 46F C24 H23 Cl F3 N5 O5 S COc1ccc(cc....
43 4MKB ic50 = 3 nM 28V C24 H27 N3 O4 S CC(C)(C)c1....
44 2JC1 ic50 = 3.8 uM 698 C24 H30 N2 O5 S CC(C)C[C@]....
45 4DRU Kd = 2.4 nM 0LN C32 H38 N4 O5 S CN1CCCCN(S....
46 2GC8 ic50 = 3.1 uM 885 C12 H15 Cl N2 O4 S Cc1cc(c(cc....
47 2I1R ic50 = 9.7 uM VXR C18 H15 F N6 O2 S CCc1ccc(o1....
48 2D41 ic50 = 0.31 uM SNH C19 H17 N O5 S3 Cc1ccc(c(c....
49 2WCX ic50 = 0.025 uM VGC C20 H21 N O2 S Cn1c2cc(sc....
50 4IH6 Kd = 18 uM 1EP C17 H24 N2 O2 CC(C)[C@H]....
51 1GX5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
52 2HWH ic50 = 2 uM RNA C16 H14 N2 O4 S2 Cc1ccc(cc1....
53 3H59 - H59 C26 H30 F N3 O6 S2 CCC(C)(C)[....
54 3H5U ic50 = 0.003 uM H5U C24 H26 F N3 O6 S2 CC(C)(C)[C....
55 3Q0Z - 23E C38 H38 N4 O5 c1ccc2c(c1....
56 1NHU Ki = 2.2 uM 153 C24 H18 Cl2 F3 N O3 c1ccc(cc1)....
57 2DXS ic50 = 0.046 uM JTP C27 H30 N2 O4 CC(C)(C(=O....
58 3D5M ic50 < 0.01 uM 4MS C24 H25 Cl F N3 O6 S2 CC(C)(C)[C....
59 1GX6 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
60 3U4O ic50 = 0.053 uM 08E C20 H15 Cl N4 O3 c1cc2c(cc1....
61 3E51 ic50 = 0.014 uM N35 C21 H28 N6 O6 S2 CC(C)CCN1C....
62 4JU4 ic50 = 0.34 uM 1O3 C19 H13 Br F N O5 S c1ccc(cc1)....
63 4JJS - 1M9 C25 H28 F3 N O4 CC1CCC(CC1....
64 2GIQ ic50 = 131 nM NN2 C21 H18 F N3 O4 S c1ccc2c(c1....
65 2D3U Ki = 0.12 uM CCT C19 H14 N2 O4 S2 Cc1ccccc1S....
66 2FVC ic50 = 32 nM 888 C21 H21 N3 O4 S CC(C)CCN1c....
67 4JU7 ic50 = 0.67 uM 1O6 C24 H29 N O4 CC1CCC(CC1....
68 3H98 ic50 < 0.005 uM B5P C19 H22 N6 O6 S2 CC(C)CCN1c....
69 3BR9 ic50 = 0.062 uM DEY C23 H25 N5 O6 S2 CC(C)CCN1C....
70 4IH5 Kd = 78 uM 12R C11 H10 N6 c1ccc(cc1)....
71 3SKH ic50 = 0.9 uM 058 C22 H15 Cl F N O2 c1ccc(cc1)....
72 2HWI ic50 = 3 uM VRX C18 H15 F N2 O4 S CCc1ccc(o1....
73 4MKA ic50 = 1 nM 2AY C26 H26 N2 O6 S CC(C)(C)c1....
74 3VQS ic50 = 0.0178 uM JT1 C28 H23 F7 N6 O4 S2 c1cc(ccc1C....
75 1YVF ic50 = 0.1 uM PH7 C22 H16 Br N O4 c1ccc(cc1)....
76 2BRK - CMF C27 H30 N2 O4 c1ccc(cc1)....
77 2BRL - POO C31 H39 N3 O3 C[N@]1CCC[....
78 3CDE ic50 < 0.01 uM N3H C21 H23 N5 O6 S3 CC(C)CCN1C....
79 2HAI ic50 = 0.53 uM PFI C21 H27 F O4 CC(C)Oc1cc....
80 3CJ0 - SX2 C9 H9 Br N2 O3 c1cc(ncc1B....
81 3FRZ - AG0 C29 H37 N5 O3 CCc1cc(cc(....
82 4J02 - 1JE C16 H17 Cl2 N O3 CCC[C@]1(c....
83 3CVK ic50 < 0.01 uM N34 C21 H29 N5 O6 S2 CC(C)(C)CC....
84 4KAI - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
85 4JU3 ic50 = 0.085 uM 1O1 C21 H17 N O7 S Cc1ccc(cc1....
86 3SKE ic50 = 0.032 uM 054 C22 H14 F3 N5 O4 S c1cc2c(cc1....
87 4MK9 ic50 = 9 nM 28R C24 H25 N3 O5 S CC(C)(C)c1....
88 4KE5 - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
89 4KBI - 1C0 C28 H25 B F2 N2 O6 S B1(c2c(cc(....
90 3MF5 ic50 = 0.042 uM HJZ C24 H24 O2 S CC1CCC(CC1....
91 3H5S ic50 = 0.005 uM H5S C27 H30 F N3 O6 S2 Cc1cc(ccc1....
92 3UPH ic50 = 15 nM 0C1 C24 H19 F2 N3 O5 S CS(=O)(=O)....
93 4KB7 - 690 C29 H28 B F N2 O6 S B1(c2ccccc....