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- Structure Biounit | Ligand Information
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- 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 | 5E4F | - | ALF ADP | n/a | n/a |
2 | 4OK5 | ic50 = 31 uM | 2T2 | C19 H15 N O2 | C#Cc1cccc(.... |
3 | 4OK3 | ic50 = 71 uM | 2SY | C17 H14 Cl N O2 | c1ccc2c(c1.... |
4 | 4OK6 | ic50 = 14 uM | 2T7 | C18 H16 N2 O5 | COc1ccc(cc.... |
5 | 4OJQ | ic50 = 500 uM | 2SX | C10 H8 Br N O2 | c1cc2c(cc1.... |
6 | 4OKS | Kd = 33 uM | 2T9 | C24 H22 N4 O5 | COc1ccc(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 5E4F | - | ALF ADP | n/a | n/a |
2 | 4B71 | - | DJL | C15 H16 Cl F N O | CC[C@H](c1.... |
3 | 3O8D | - | ADP BEF | n/a | n/a |
4 | 4B6E | - | 10L | C7 H7 N3 | c1cc2cn[nH.... |
5 | 4B73 | Kd = 0.062 uM | 4VA | C19 H23 Cl F N2 O2 | CC[C@H](c1.... |
6 | 4B74 | Kd = 0.022 uM | 1LH | C21 H29 Cl F N3 O2 | CC[C@H](c1.... |
7 | 4B76 | Kd = 29 uM | PW1 | C13 H12 F2 N O | c1ccc(cc1).... |
8 | 4OK5 | ic50 = 31 uM | 2T2 | C19 H15 N O2 | C#Cc1cccc(.... |
9 | 4OK3 | ic50 = 71 uM | 2SY | C17 H14 Cl N O2 | c1ccc2c(c1.... |
10 | 4OK6 | ic50 = 14 uM | 2T7 | C18 H16 N2 O5 | COc1ccc(cc.... |
11 | 4OJQ | ic50 = 500 uM | 2SX | C10 H8 Br N O2 | c1cc2c(cc1.... |
12 | 4OKS | Kd = 33 uM | 2T9 | C24 H22 N4 O5 | COc1ccc(cc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SRO | 0.9626 |
2 | NVU | 0.9619 |
3 | TSR | 0.9598 |
4 | IOS | 0.9487 |
5 | NLA | 0.9454 |
6 | MQB | 0.9402 |
7 | NPA | 0.9328 |
8 | XEN | 0.9308 |
9 | 0LH | 0.9280 |
10 | M3Q | 0.9279 |
11 | 57O | 0.9270 |
12 | BK9 | 0.9270 |
13 | F52 | 0.9261 |
14 | TSS | 0.9249 |
15 | ZON | 0.9247 |
16 | 61M | 0.9237 |
17 | ARP | 0.9234 |
18 | FXH | 0.9229 |
19 | TQU | 0.9229 |
20 | MNP | 0.9224 |
21 | 772 | 0.9223 |
22 | 9BF | 0.9218 |
23 | UAN | 0.9216 |
24 | 7ZC | 0.9209 |
25 | M5H | 0.9204 |
26 | C2Y | 0.9196 |
27 | M6Z | 0.9183 |
28 | QMS | 0.9177 |
29 | APS | 0.9173 |
30 | TRP | 0.9170 |
31 | 5WY | 0.9167 |
32 | 2LY | 0.9167 |
33 | AC2 | 0.9165 |
34 | 4ME | 0.9162 |
35 | 2ZQ | 0.9154 |
36 | 5WU | 0.9153 |
37 | 8GK | 0.9152 |
38 | ITW | 0.9150 |
39 | EOL | 0.9146 |
40 | 1QP | 0.9122 |
41 | C9E | 0.9122 |
42 | 8XL | 0.9117 |
43 | DNC | 0.9116 |
44 | 9KH | 0.9109 |
45 | CSN | 0.9107 |
46 | OMD | 0.9098 |
47 | ICO | 0.9092 |
48 | HA7 | 0.9091 |
49 | 4KL | 0.9089 |
50 | QPR | 0.9088 |
51 | 5RN | 0.9081 |
52 | I3A | 0.9076 |
53 | 6DP | 0.9072 |
54 | 5NE | 0.9069 |
55 | 2O6 | 0.9067 |
56 | DTR | 0.9067 |
57 | AEH | 0.9067 |
58 | MHK | 0.9065 |
59 | M0Q | 0.9060 |
60 | LZ2 | 0.9059 |
61 | 92P | 0.9052 |
62 | OA3 | 0.9046 |
63 | 9FE | 0.9042 |
64 | SBK | 0.9038 |
65 | 7CT | 0.9028 |
66 | SR4 | 0.9028 |
67 | 7MX | 0.9028 |
68 | JYT | 0.9026 |
69 | 5NS | 0.9024 |
70 | 7HQ | 0.9013 |
71 | PDC | 0.9010 |
72 | 7VS | 0.9006 |
73 | IOP | 0.9006 |
74 | 7ZE | 0.9004 |
75 | 23J | 0.9003 |
76 | 790 | 0.9002 |
77 | 4OG | 0.9002 |
78 | 3EB | 0.9001 |
79 | 9UL | 0.8996 |
80 | HPT | 0.8995 |
81 | TTY | 0.8994 |
82 | HMQ | 0.8993 |
83 | M0W | 0.8992 |
84 | HQ9 | 0.8991 |
85 | 3N4 | 0.8990 |
86 | N8Y | 0.8988 |
87 | AIN | 0.8988 |
88 | 091 | 0.8982 |
89 | 8XQ | 0.8978 |
90 | HWH | 0.8968 |
91 | DBJ | 0.8964 |
92 | 42C | 0.8960 |
93 | YSO | 0.8960 |
94 | OW7 | 0.8955 |
95 | 6BL | 0.8954 |
96 | DNF | 0.8948 |
97 | AKH | 0.8947 |
98 | I6G | 0.8945 |
99 | VXX | 0.8945 |
100 | 0F9 | 0.8945 |
101 | Q6T | 0.8944 |
102 | FLV | 0.8941 |
103 | 5OF | 0.8938 |
104 | 67X | 0.8938 |
105 | 8VN | 0.8938 |
106 | DHY | 0.8936 |
107 | 5WX | 0.8933 |
108 | ALN | 0.8930 |
109 | HLZ | 0.8929 |
110 | NBG | 0.8921 |
111 | 2K8 | 0.8920 |
112 | 3MB | 0.8918 |
113 | IBM | 0.8917 |
114 | M2K | 0.8916 |
115 | M1E | 0.8915 |
116 | 4VS | 0.8914 |
117 | 4AV | 0.8913 |
118 | PD2 | 0.8912 |
119 | 9MG | 0.8908 |
120 | EXG | 0.8908 |
121 | 512 | 0.8904 |
122 | 4A5 | 0.8904 |
123 | EXR | 0.8903 |
124 | HNQ | 0.8903 |
125 | 0W8 | 0.8902 |
126 | VNL | 0.8894 |
127 | H7Y | 0.8892 |
128 | SAF | 0.8892 |
129 | 4M4 | 0.8888 |
130 | MBG | 0.8888 |
131 | G1P | 0.8887 |
132 | EV3 | 0.8882 |
133 | ONR | 0.8875 |
134 | LZM | 0.8874 |
135 | CFA | 0.8872 |
136 | DTE | 0.8871 |
137 | OIA | 0.8871 |
138 | 8U3 | 0.8869 |
139 | 1AL | 0.8868 |
140 | DHC | 0.8866 |
141 | OW4 | 0.8862 |
142 | I59 | 0.8856 |
143 | ZZ8 | 0.8856 |
144 | JY2 | 0.8855 |
145 | 7WR | 0.8854 |
146 | V55 | 0.8854 |
147 | DPZ | 0.8853 |
148 | E7R | 0.8849 |
149 | S24 | 0.8847 |
150 | 4TU | 0.8842 |
151 | 42A | 0.8840 |
152 | GV9 | 0.8838 |
153 | 67Y | 0.8838 |
154 | 6VD | 0.8837 |
155 | JYW | 0.8835 |
156 | RJY | 0.8834 |
157 | TVP | 0.8832 |
158 | 4XV | 0.8831 |
159 | JXZ | 0.8830 |
160 | EYA | 0.8830 |
161 | X8D | 0.8830 |
162 | 0JD | 0.8829 |
163 | 2FY | 0.8828 |
164 | OA1 | 0.8827 |
165 | 7FF | 0.8827 |
166 | JTH | 0.8827 |
167 | QM1 | 0.8827 |
168 | 28S | 0.8826 |
169 | 64C | 0.8822 |
170 | G3F | 0.8822 |
171 | FWB | 0.8820 |
172 | F12 | 0.8818 |
173 | M1H | 0.8817 |
174 | B60 | 0.8816 |
175 | AOJ | 0.8816 |
176 | HHT | 0.8814 |
177 | BCU | 0.8811 |
178 | BGC | 0.8811 |
179 | 4XY | 0.8810 |
180 | M5N | 0.8810 |
181 | JKZ | 0.8810 |
182 | 5RO | 0.8809 |
183 | 5O5 | 0.8808 |
184 | 3R6 | 0.8808 |
185 | 3IB | 0.8805 |
186 | GOX | 0.8804 |
187 | H7S | 0.8804 |
188 | KBB | 0.8802 |
189 | JXW | 0.8802 |
190 | TOF | 0.8800 |
191 | EYY | 0.8798 |
192 | HLD | 0.8798 |
193 | 5M0 | 0.8792 |
194 | NID | 0.8791 |
195 | OVM | 0.8790 |
196 | APZ | 0.8790 |
197 | 15L | 0.8789 |
198 | 9FQ | 0.8788 |
199 | MAQ | 0.8786 |
200 | 0FK | 0.8786 |
201 | 28N | 0.8785 |
202 | 226 | 0.8784 |
203 | 9TZ | 0.8784 |
204 | LTN | 0.8781 |
205 | 5MK | 0.8780 |
206 | KFH | 0.8779 |
207 | 9F8 | 0.8778 |
208 | 1X7 | 0.8778 |
209 | INE | 0.8778 |
210 | R6T | 0.8776 |
211 | 5RG | 0.8776 |
212 | 1SS | 0.8775 |
213 | 0P6 | 0.8773 |
214 | FBG | 0.8772 |
215 | LGC | 0.8772 |
216 | 2EC | 0.8771 |
217 | 7NI | 0.8770 |
218 | GTQ | 0.8769 |
219 | 0GZ | 0.8768 |
220 | YO5 | 0.8766 |
221 | FLC | 0.8765 |
222 | KED | 0.8763 |
223 | LAO | 0.8762 |
224 | 4HC | 0.8759 |
225 | 6J9 | 0.8758 |
226 | XQK | 0.8757 |
227 | CWS | 0.8756 |
228 | JR2 | 0.8755 |
229 | KYA | 0.8753 |
230 | 6HO | 0.8753 |
231 | 5OB | 0.8752 |
232 | ONZ | 0.8750 |
233 | OTD | 0.8750 |
234 | ETV | 0.8749 |
235 | FK8 | 0.8746 |
236 | 4XS | 0.8746 |
237 | PRZ | 0.8746 |
238 | EY7 | 0.8743 |
239 | I2E | 0.8743 |
240 | 2KA | 0.8741 |
241 | DBX | 0.8740 |
242 | 8S0 | 0.8737 |
243 | 8HC | 0.8735 |
244 | BZ3 | 0.8734 |
245 | VYM | 0.8734 |
246 | 8G0 | 0.8732 |
247 | RXA | 0.8732 |
248 | PQ0 | 0.8728 |
249 | 54G | 0.8728 |
250 | K68 | 0.8728 |
251 | EYM | 0.8728 |
252 | NDM | 0.8727 |
253 | MUA | 0.8726 |
254 | F0J | 0.8726 |
255 | NQ | 0.8726 |
256 | UNC | 0.8725 |
257 | YIH | 0.8725 |
258 | MWP | 0.8724 |
259 | 2H5 | 0.8724 |
260 | 33S | 0.8724 |
261 | 209 | 0.8722 |
262 | HA5 | 0.8722 |
263 | LNR | 0.8721 |
264 | GCS | 0.8720 |
265 | SXS | 0.8717 |
266 | KDO | 0.8716 |
267 | DEW | 0.8716 |
268 | GCB | 0.8714 |
269 | SBI | 0.8714 |
270 | C2U | 0.8714 |
271 | SHG | 0.8714 |
272 | 8CM | 0.8711 |
273 | 54X | 0.8711 |
274 | GDE | 0.8710 |
275 | 8VE | 0.8709 |
276 | Z5P | 0.8705 |
277 | 6XI | 0.8702 |
278 | KUF | 0.8702 |
279 | NAG | 0.8702 |
280 | MIG | 0.8701 |
281 | D07 | 0.8700 |
282 | 78U | 0.8700 |
283 | VK3 | 0.8699 |
284 | XFE | 0.8697 |
285 | GTL | 0.8696 |
286 | M4E | 0.8695 |
287 | ASC | 0.8695 |
288 | LSA | 0.8693 |
289 | 30G | 0.8691 |
290 | GCO | 0.8689 |
291 | ODO | 0.8689 |
292 | UFV | 0.8689 |
293 | TWB | 0.8688 |
294 | GAL | 0.8687 |
295 | 2D3 | 0.8686 |
296 | GSY | 0.8686 |
297 | OVP | 0.8683 |
298 | GLC | 0.8683 |
299 | 96U | 0.8681 |
300 | MT8 | 0.8678 |
301 | ALL | 0.8676 |
302 | UFO | 0.8673 |
303 | X6X | 0.8672 |
304 | CIT | 0.8669 |
305 | KGK | 0.8666 |
306 | BDP | 0.8666 |
307 | 64E | 0.8661 |
308 | GTR | 0.8660 |
309 | 7B3 | 0.8660 |
310 | 6R8 | 0.8658 |
311 | GCU | 0.8657 |
312 | PH2 | 0.8655 |
313 | R9S | 0.8654 |
314 | HQD | 0.8654 |
315 | S3C | 0.8651 |
316 | ESI | 0.8649 |
317 | MS9 | 0.8642 |
318 | MS0 | 0.8638 |
319 | AMG | 0.8638 |
320 | PRF | 0.8638 |
321 | ICT | 0.8637 |
322 | GA2 | 0.8637 |
323 | L7T | 0.8634 |
324 | 92K | 0.8631 |
325 | FE DB1 | 0.8630 |
326 | 2FG | 0.8628 |
327 | LIP | 0.8626 |
328 | HHR | 0.8624 |
329 | 2LP | 0.8623 |
330 | GT0 | 0.8621 |
331 | QNA | 0.8619 |
332 | GRX | 0.8618 |
333 | E7Z | 0.8618 |
334 | LDR | 0.8618 |
335 | NCD | 0.8616 |
336 | 1GN | 0.8614 |
337 | ALE | 0.8611 |
338 | Q7A | 0.8611 |
339 | XDE | 0.8611 |
340 | PEY | 0.8609 |
341 | M1Q | 0.8608 |
342 | GNL | 0.8607 |
343 | J9W | 0.8606 |
344 | 261 | 0.8606 |
345 | IPT | 0.8602 |
346 | DHK | 0.8602 |
347 | RZH | 0.8601 |
348 | HCI | 0.8600 |
349 | 173 | 0.8597 |
350 | 97T | 0.8590 |
351 | EYK | 0.8590 |
352 | CLU | 0.8589 |
353 | Q24 | 0.8586 |
354 | EVA | 0.8585 |
355 | 7I2 | 0.8582 |
356 | 2FD | 0.8578 |
357 | JFJ | 0.8577 |
358 | 3DO | 0.8574 |
359 | JAK | 0.8568 |
360 | OHP | 0.8567 |
361 | 39U | 0.8560 |
362 | SOR | 0.8560 |
363 | SHA | 0.8559 |
364 | EA1 | 0.8556 |
365 | LLT | 0.8549 |
366 | 52C | 0.8545 |
367 | FA6 | 0.8544 |
368 | 9UG | 0.8544 |
369 | GLA | 0.8544 |
370 | 5XC | 0.8539 |
371 | PFB | 0.8536 |
372 | LYL | 0.8533 |
373 | DX3 | 0.8530 |
374 | 9LI | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 4oks.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |