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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 261 families. | |||||
1 | 2WW3 | - | Z5L MAN | n/a | n/a |
2 | 2WZS | Ki = 140 uM | MVL | C8 H12 N2 O4 | c1cn2c(n1).... |
3 | 2WW1 | - | Z5L MAN | n/a | n/a |
4 | 2WVZ | Ki = 96 uM | KIF | C8 H12 N2 O6 | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 6F90 | - | MVL | C8 H12 N2 O4 | c1cn2c(n1).... |
2 | 2WW3 | - | Z5L MAN | n/a | n/a |
3 | 2WZS | Ki = 140 uM | MVL | C8 H12 N2 O4 | c1cn2c(n1).... |
4 | 2WW1 | - | Z5L MAN | n/a | n/a |
5 | 2WVZ | Ki = 96 uM | KIF | C8 H12 N2 O6 | C([C@@H]1[.... |
6 | 6F92 | - | MVL | C8 H12 N2 O4 | c1cn2c(n1).... |
7 | 2WW2 | Ki = 14 uM | SWA | C8 H15 N O3 | C1C[C@H]([.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | KIF | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GIM | 0.9494 |
2 | HTP | 0.9494 |
3 | NTZ | 0.9479 |
4 | AEZ | 0.9455 |
5 | CFF | 0.9296 |
6 | FLV | 0.9265 |
7 | K32 | 0.9237 |
8 | MT5 | 0.9216 |
9 | TEP | 0.9201 |
10 | MVL | 0.9199 |
11 | 680 | 0.9190 |
12 | MXX | 0.9150 |
13 | NDM | 0.9132 |
14 | VK3 | 0.9126 |
15 | BGC | 0.9099 |
16 | K17 | 0.9088 |
17 | 4KL | 0.9072 |
18 | GI3 | 0.9062 |
19 | PFB | 0.9060 |
20 | 94E | 0.9058 |
21 | 209 | 0.9049 |
22 | 7B3 | 0.9048 |
23 | GLC | 0.9040 |
24 | LI6 | 0.9037 |
25 | TVP | 0.9028 |
26 | 9KT | 0.9018 |
27 | 7ZE | 0.9011 |
28 | HQD | 0.9005 |
29 | 2D3 | 0.8998 |
30 | PX7 | 0.8994 |
31 | H33 | 0.8993 |
32 | XQK | 0.8992 |
33 | GCU | 0.8987 |
34 | 8XQ | 0.8984 |
35 | 18N | 0.8973 |
36 | PHH | 0.8966 |
37 | DNC | 0.8966 |
38 | UAN | 0.8960 |
39 | CLZ | 0.8953 |
40 | NGO | 0.8950 |
41 | K2P | 0.8950 |
42 | 5NS | 0.8946 |
43 | 582 | 0.8935 |
44 | NBG | 0.8933 |
45 | 7FF | 0.8930 |
46 | 226 | 0.8927 |
47 | IBM | 0.8926 |
48 | GCV | 0.8923 |
49 | ZB1 | 0.8913 |
50 | 9FQ | 0.8911 |
51 | Q7A | 0.8911 |
52 | I6G | 0.8907 |
53 | TTL | 0.8906 |
54 | HNQ | 0.8904 |
55 | SYA | 0.8901 |
56 | MT8 | 0.8896 |
57 | B57 | 0.8892 |
58 | 4HC | 0.8889 |
59 | QX4 | 0.8888 |
60 | 4AN | 0.8887 |
61 | 5WY | 0.8886 |
62 | 8VE | 0.8878 |
63 | 5VJ | 0.8874 |
64 | 64C | 0.8872 |
65 | X09 | 0.8869 |
66 | SWA | 0.8867 |
67 | CBF | 0.8863 |
68 | 95Z | 0.8860 |
69 | Z5P | 0.8857 |
70 | B62 | 0.8856 |
71 | 28N | 0.8854 |
72 | RPQ | 0.8852 |
73 | DQU | 0.8849 |
74 | DPZ | 0.8846 |
75 | 9PY | 0.8845 |
76 | OA3 | 0.8845 |
77 | GAL | 0.8845 |
78 | ZVO | 0.8844 |
79 | GCS | 0.8844 |
80 | 2M5 | 0.8843 |
81 | MMA | 0.8838 |
82 | 5WX | 0.8838 |
83 | 8WQ | 0.8835 |
84 | EJZ | 0.8832 |
85 | X8D | 0.8830 |
86 | GOX | 0.8830 |
87 | URC | 0.8829 |
88 | K22 | 0.8820 |
89 | 1XA | 0.8819 |
90 | PRF | 0.8819 |
91 | 4V6 | 0.8818 |
92 | FOT | 0.8818 |
93 | GTZ | 0.8817 |
94 | ZZ8 | 0.8817 |
95 | 4ME | 0.8816 |
96 | TQU | 0.8815 |
97 | 5QX | 0.8811 |
98 | 57O | 0.8810 |
99 | UFO | 0.8802 |
100 | BDP | 0.8800 |
101 | 329 | 0.8798 |
102 | ADA | 0.8796 |
103 | 7M6 | 0.8796 |
104 | G3F | 0.8793 |
105 | TIY | 0.8791 |
106 | XFE | 0.8790 |
107 | GCB | 0.8788 |
108 | IJZ | 0.8788 |
109 | 60Q | 0.8786 |
110 | MM6 | 0.8782 |
111 | 8S0 | 0.8782 |
112 | B60 | 0.8780 |
113 | 6BL | 0.8778 |
114 | CTS | 0.8777 |
115 | G1P | 0.8777 |
116 | 3GQ | 0.8776 |
117 | NQ | 0.8774 |
118 | JUO | 0.8773 |
119 | 3TJ | 0.8772 |
120 | AMG | 0.8771 |
121 | AZ9 | 0.8767 |
122 | 39U | 0.8767 |
123 | 61O | 0.8767 |
124 | BNT | 0.8762 |
125 | 7VJ | 0.8762 |
126 | 0N7 | 0.8762 |
127 | GLT | 0.8758 |
128 | RXA | 0.8754 |
129 | GLA | 0.8753 |
130 | JKZ | 0.8753 |
131 | 1FF | 0.8750 |
132 | 2FQ | 0.8750 |
133 | PH2 | 0.8748 |
134 | TTY | 0.8746 |
135 | H62 | 0.8745 |
136 | G1O | 0.8745 |
137 | 9UG | 0.8744 |
138 | MM1 | 0.8744 |
139 | TBS | 0.8740 |
140 | SXS | 0.8738 |
141 | AIN | 0.8735 |
142 | APZ | 0.8735 |
143 | 2ZQ | 0.8733 |
144 | BSP | 0.8733 |
145 | GYP | 0.8732 |
146 | 5RO | 0.8732 |
147 | R8V | 0.8731 |
148 | 44V | 0.8730 |
149 | BEA | 0.8730 |
150 | 3MG | 0.8730 |
151 | GCW | 0.8727 |
152 | 7D2 | 0.8726 |
153 | FLC | 0.8726 |
154 | X05 | 0.8724 |
155 | NAG | 0.8724 |
156 | UQ | 0.8722 |
157 | 06B | 0.8722 |
158 | 1WC | 0.8721 |
159 | 5WU | 0.8717 |
160 | XM5 | 0.8714 |
161 | MAN | 0.8711 |
162 | HLZ | 0.8711 |
163 | LGC | 0.8706 |
164 | JUG | 0.8701 |
165 | FXH | 0.8698 |
166 | 12B | 0.8697 |
167 | MAQ | 0.8694 |
168 | K3Q | 0.8693 |
169 | UEG | 0.8693 |
170 | S7B | 0.8689 |
171 | 4MU | 0.8689 |
172 | 537 | 0.8683 |
173 | SHG | 0.8679 |
174 | 8TX | 0.8677 |
175 | 2KA | 0.8674 |
176 | 67X | 0.8671 |
177 | SOR | 0.8671 |
178 | 3C1 | 0.8670 |
179 | NSG | 0.8667 |
180 | GOG | 0.8667 |
181 | GT0 | 0.8667 |
182 | EVA | 0.8665 |
183 | 30G | 0.8664 |
184 | Q6T | 0.8664 |
185 | LOG | 0.8662 |
186 | GJS | 0.8661 |
187 | A9O | 0.8659 |
188 | DC5 | 0.8655 |
189 | M3S | 0.8650 |
190 | HBO | 0.8649 |
191 | FH2 | 0.8647 |
192 | GNL | 0.8647 |
193 | 5FN | 0.8646 |
194 | S3B | 0.8640 |
195 | 42C | 0.8639 |
196 | KDO | 0.8638 |
197 | Q71 | 0.8635 |
198 | NGT | 0.8634 |
199 | 37T | 0.8630 |
200 | H6B | 0.8629 |
201 | MBG | 0.8629 |
202 | TOF | 0.8628 |
203 | 5VL | 0.8626 |
204 | 2MN | 0.8626 |
205 | FDK | 0.8626 |
206 | 1Z8 | 0.8624 |
207 | 6ME | 0.8619 |
208 | GC3 | 0.8618 |
209 | 790 | 0.8617 |
210 | OIA | 0.8615 |
211 | GAF | 0.8606 |
212 | VNL | 0.8604 |
213 | PRZ | 0.8602 |
214 | QPR | 0.8601 |
215 | 2H5 | 0.8600 |
216 | PYQ | 0.8600 |
217 | HZQ | 0.8593 |
218 | GSY | 0.8591 |
219 | 3N4 | 0.8591 |
220 | GV9 | 0.8589 |
221 | AKH | 0.8588 |
222 | MT0 | 0.8581 |
223 | DHK | 0.8578 |
224 | CKX | 0.8572 |
225 | GM7 | 0.8570 |
226 | 8GK | 0.8565 |
227 | HHA | 0.8565 |
228 | 7ME | 0.8564 |
229 | SQ7 | 0.8564 |
230 | LT2 | 0.8563 |
231 | MUA | 0.8561 |
232 | R6T | 0.8560 |
233 | 5QY | 0.8560 |
234 | 3C2 | 0.8560 |
235 | HKD | 0.8559 |
236 | 23J | 0.8556 |
237 | QAT | 0.8555 |
238 | XHP | 0.8553 |
239 | OTW | 0.8551 |
240 | NZ2 | 0.8550 |
241 | MHK | 0.8550 |
242 | 54X | 0.8548 |
243 | 5PX | 0.8543 |
244 | 495 | 0.8537 |
245 | GLY PRO | 0.8534 |
246 | GIV | 0.8533 |
247 | A9P | 0.8531 |
248 | XXP | 0.8529 |
249 | 2J9 | 0.8522 |
250 | GZ8 | 0.8517 |
251 | 44W | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 2wvz.bio4) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2wvz.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2wvz.bio3) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2wvz.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |