Receptor
PDB id Resolution Class Description Source Keywords
6t3g 1.63 Å EC: 3.6.1.15 3C-LIKE PROTEASE FROM SOUTHAMPTON VIRUS COMPLEXED WITH FMOPL SOUTHAMPTON VIRUS (SEROTYPE 3) VIRAL PROTEASE. HYDROLASE
Ref.: IN CRYSTALLO-SCREENING FOR DISCOVERY OF HUMAN NOROV 3C-LIKE PROTEASE INHIBITORS. J STRUCT BIOL X V. 4 00031 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS B:203;
A:206;
B:202;
A:205;
A:207;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
JOV A:201;
 Valid;
 none;
 submit data
227.687 C11 H14 Cl N O2 CC(C)...
PO4 A:202;
A:203;
B:201;
A:204;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6T3G 1.63 Å EC: 3.6.1.15 3C-LIKE PROTEASE FROM SOUTHAMPTON VIRUS COMPLEXED WITH FMOPL SOUTHAMPTON VIRUS (SEROTYPE 3) VIRAL PROTEASE. HYDROLASE
Ref.: IN CRYSTALLO-SCREENING FOR DISCOVERY OF HUMAN NOROV 3C-LIKE PROTEASE INHIBITORS. J STRUCT BIOL X V. 4 00031 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 6T3G - JOV C11 H14 Cl N O2 CC(C)(CO)N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 6T3G - JOV C11 H14 Cl N O2 CC(C)(CO)N....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 6T3G - JOV C11 H14 Cl N O2 CC(C)(CO)N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JOV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 JOV 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: JOV; Similar ligands found: 157
No: Ligand Similarity coefficient
1 KYN 0.9230
2 XI7 0.9193
3 1ZC 0.9163
4 1L5 0.9154
5 6L6 0.9133
6 EVF 0.9080
7 1VK 0.9063
8 DBS 0.9062
9 DAH 0.9056
10 E9S 0.9055
11 YZM 0.9047
12 RP3 0.9043
13 6HO 0.9043
14 TJM 0.9038
15 STX 0.9035
16 HSX 0.9025
17 P80 0.9016
18 EQA 0.9015
19 PLP 0.9014
20 D8Q 0.9011
21 G30 0.9009
22 PLR 0.8997
23 TRP 0.8985
24 OJD 0.8983
25 IOS 0.8983
26 AMR 0.8983
27 SG2 0.8980
28 FHV 0.8973
29 JZA 0.8965
30 EUE 0.8964
31 S8G 0.8961
32 3N1 0.8956
33 IYR 0.8955
34 PUE 0.8951
35 I2E 0.8945
36 CTE 0.8942
37 R9G 0.8939
38 S7S 0.8937
39 4NZ 0.8932
40 1PS 0.8928
41 BZQ 0.8925
42 DHC 0.8921
43 SKF 0.8912
44 N1E 0.8911
45 T1N 0.8911
46 2FX 0.8905
47 2UD 0.8901
48 GZV 0.8897
49 TU0 0.8896
50 BIO 0.8894
51 ODK 0.8889
52 6ZW 0.8887
53 S7D 0.8879
54 ABF 0.8878
55 4XF 0.8869
56 MAJ 0.8869
57 NFA 0.8869
58 11X 0.8868
59 C9M 0.8868
60 Y3L 0.8865
61 H4E 0.8861
62 API 0.8853
63 SB7 0.8850
64 G6P 0.8847
65 EQW 0.8847
66 D6G 0.8843
67 MMS 0.8836
68 S7A 0.8832
69 HBI 0.8831
70 27K 0.8825
71 YOF 0.8825
72 TCA 0.8816
73 P1J 0.8813
74 1X4 0.8813
75 NIY 0.8809
76 M5E 0.8808
77 BG6 0.8800
78 5VU 0.8795
79 LVD 0.8792
80 PTB 0.8792
81 3D1 0.8789
82 STT 0.8789
83 4TP 0.8785
84 3L1 0.8779
85 5F1 0.8778
86 ZIQ 0.8778
87 5WN 0.8778
88 4NS 0.8777
89 5ER 0.8777
90 PO6 0.8774
91 6Q3 0.8773
92 M6P 0.8772
93 NPS 0.8765
94 TMG 0.8762
95 NAL 0.8759
96 BSA 0.8757
97 DCZ 0.8757
98 7O4 0.8755
99 NQ7 0.8755
100 PNP 0.8754
101 3LJ 0.8752
102 KPV 0.8749
103 SB9 0.8746
104 PBN 0.8744
105 QMR 0.8744
106 6FZ 0.8736
107 B41 0.8733
108 4NP 0.8729
109 D9Z 0.8728
110 TZP 0.8726
111 848 0.8723
112 KWV 0.8723
113 LSQ 0.8721
114 78U 0.8718
115 Q04 0.8714
116 EYV 0.8713
117 GLP 0.8704
118 NEU 0.8701
119 YE6 0.8700
120 61M 0.8695
121 6ZX 0.8692
122 ALE 0.8691
123 EN1 0.8691
124 LTN 0.8686
125 5OY 0.8681
126 DTR 0.8676
127 3IL 0.8675
128 A6Z 0.8674
129 4R1 0.8674
130 EYJ 0.8662
131 QME 0.8661
132 GO8 0.8648
133 9BF 0.8648
134 PMP 0.8647
135 RCV 0.8646
136 4LW 0.8644
137 TOH 0.8643
138 Q06 0.8642
139 H35 0.8641
140 7AP 0.8622
141 AM4 0.8619
142 HCI 0.8618
143 4LV 0.8616
144 D1Y 0.8614
145 BQ2 0.8600
146 3QO 0.8598
147 PPN 0.8594
148 GXG 0.8593
149 5O5 0.8592
150 FWD 0.8585
151 JPQ 0.8575
152 YIE 0.8568
153 A5P 0.8568
154 7R4 0.8556
155 4MB 0.8543
156 GLR 0.8542
157 GNG 0.8536
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6T3G; Ligand: JOV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6t3g.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback