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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 10 families. | |||||
1 | 1WQ4 | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
2 | 2YXN | - | AZY | C9 H10 N4 O3 | c1cc(c(cc1.... |
3 | 1WQ3 | - | IYR | C9 H10 I N O3 | c1cc(c(cc1.... |
4 | 1X8X | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
5 | 6HB7 | - | Y3U | C19 H24 N4 O10 S | CN1C(=O)C=.... |
6 | 6HB6 | - | YSU | C18 H22 N4 O10 S | c1cc(ccc1C.... |
7 | 6HB5 | - | YSC | C18 H23 N5 O9 S | c1cc(ccc1C.... |
8 | 7AP3 | - | RRB | C22 H27 N5 O9 S | c1cc(ccc1C.... |
9 | 6I5Y | - | YSA | C19 H23 N7 O8 S | c1cc(ccc1C.... |
10 | 1TYB | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
11 | 4TS1 | Kd = 11.6 uM | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
12 | 1TYD | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1WQ4 | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
2 | 2YXN | - | AZY | C9 H10 N4 O3 | c1cc(c(cc1.... |
3 | 1WQ3 | - | IYR | C9 H10 I N O3 | c1cc(c(cc1.... |
4 | 1X8X | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
5 | 1Y42 | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
6 | 6HB7 | - | Y3U | C19 H24 N4 O10 S | CN1C(=O)C=.... |
7 | 6HB6 | - | YSU | C18 H22 N4 O10 S | c1cc(ccc1C.... |
8 | 6HB5 | - | YSC | C18 H23 N5 O9 S | c1cc(ccc1C.... |
9 | 7AP3 | - | RRB | C22 H27 N5 O9 S | c1cc(ccc1C.... |
10 | 6I5Y | - | YSA | C19 H23 N7 O8 S | c1cc(ccc1C.... |
11 | 1JIL | ic50 = 4 nM | 485 | C17 H24 N2 O8 | C[C@@H]1[C.... |
12 | 2PID | - | YSA | C19 H23 N7 O8 S | c1cc(ccc1C.... |
13 | 1TYB | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
14 | 4TS1 | Kd = 11.6 uM | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
15 | 1TYD | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NAL | 0.9504 |
2 | FER | 0.9497 |
3 | TRP | 0.9477 |
4 | FT6 | 0.9455 |
5 | NWD | 0.9388 |
6 | 3SU | 0.9375 |
7 | B41 | 0.9322 |
8 | 3IL | 0.9303 |
9 | CIY | 0.9295 |
10 | LTN | 0.9285 |
11 | IOP | 0.9276 |
12 | EXR | 0.9276 |
13 | 2UD | 0.9255 |
14 | ITW | 0.9235 |
15 | GJK | 0.9231 |
16 | 4GP | 0.9229 |
17 | 4Z9 | 0.9219 |
18 | N7I | 0.9209 |
19 | HWH | 0.9193 |
20 | TR7 | 0.9190 |
21 | 56N | 0.9174 |
22 | ET0 | 0.9169 |
23 | CTE | 0.9164 |
24 | MMS | 0.9156 |
25 | CGW | 0.9152 |
26 | CMU | 0.9152 |
27 | DTR | 0.9147 |
28 | C0W | 0.9147 |
29 | SYE | 0.9130 |
30 | 9BF | 0.9111 |
31 | 3C5 | 0.9107 |
32 | 1BW | 0.9107 |
33 | 96Z | 0.9105 |
34 | ZIQ | 0.9100 |
35 | 52F | 0.9099 |
36 | FWD | 0.9096 |
37 | EUH | 0.9095 |
38 | NTF | 0.9094 |
39 | KWB | 0.9093 |
40 | FCW | 0.9092 |
41 | EYY | 0.9092 |
42 | 3EB | 0.9090 |
43 | BWD | 0.9089 |
44 | MUX | 0.9080 |
45 | CWD | 0.9070 |
46 | H35 | 0.9066 |
47 | RVE | 0.9058 |
48 | DTE | 0.9056 |
49 | HMZ | 0.9048 |
50 | DE7 | 0.9044 |
51 | 657 | 0.9038 |
52 | IWD | 0.9029 |
53 | EMU | 0.9028 |
54 | 5P3 | 0.9024 |
55 | 6DQ | 0.9023 |
56 | 7VY | 0.9022 |
57 | ZEZ | 0.9017 |
58 | 6C9 | 0.9016 |
59 | 4OG | 0.9012 |
60 | ZEA | 0.9011 |
61 | 5WN | 0.9007 |
62 | C4E | 0.9006 |
63 | AC2 | 0.9003 |
64 | XEN | 0.9002 |
65 | 2KU | 0.8993 |
66 | 78P | 0.8992 |
67 | VBC | 0.8989 |
68 | 2JX | 0.8985 |
69 | JSX | 0.8984 |
70 | B4L | 0.8978 |
71 | F6P | 0.8977 |
72 | HH6 | 0.8974 |
73 | Q4G | 0.8972 |
74 | 0A1 | 0.8969 |
75 | I2E | 0.8965 |
76 | 5F8 | 0.8963 |
77 | BZM | 0.8962 |
78 | 3D8 | 0.8954 |
79 | CR1 | 0.8952 |
80 | WA2 | 0.8952 |
81 | MUK | 0.8949 |
82 | NK5 | 0.8949 |
83 | NFK | 0.8948 |
84 | 7NU | 0.8944 |
85 | 9X3 | 0.8941 |
86 | EY7 | 0.8941 |
87 | 6C5 | 0.8938 |
88 | AVA | 0.8938 |
89 | 1FE | 0.8936 |
90 | F1X | 0.8935 |
91 | JGY | 0.8932 |
92 | CX4 | 0.8931 |
93 | BB4 | 0.8928 |
94 | 4GU | 0.8927 |
95 | WCU | 0.8924 |
96 | 4EU | 0.8924 |
97 | ZON | 0.8923 |
98 | IOS | 0.8921 |
99 | HA6 | 0.8921 |
100 | DHC | 0.8916 |
101 | AUV | 0.8916 |
102 | 3IB | 0.8913 |
103 | ZYC | 0.8913 |
104 | Q5M | 0.8912 |
105 | A4V | 0.8911 |
106 | 531 | 0.8909 |
107 | S1D | 0.8908 |
108 | TI7 | 0.8908 |
109 | PW1 | 0.8908 |
110 | WVV | 0.8906 |
111 | V2Z | 0.8901 |
112 | 0UL | 0.8897 |
113 | QH3 | 0.8897 |
114 | 7ZL | 0.8896 |
115 | 6GP | 0.8896 |
116 | KLV | 0.8895 |
117 | FPL | 0.8894 |
118 | EYM | 0.8893 |
119 | DBE | 0.8893 |
120 | C9M | 0.8890 |
121 | S0F | 0.8889 |
122 | 6Q3 | 0.8889 |
123 | 108 | 0.8888 |
124 | TU0 | 0.8886 |
125 | THM | 0.8885 |
126 | 4BX | 0.8884 |
127 | VM1 | 0.8882 |
128 | VJJ | 0.8881 |
129 | 6C8 | 0.8879 |
130 | 9GP | 0.8877 |
131 | 78U | 0.8876 |
132 | 6C4 | 0.8876 |
133 | 88R | 0.8874 |
134 | ASE | 0.8873 |
135 | 2LT | 0.8869 |
136 | X2M | 0.8867 |
137 | FNA | 0.8863 |
138 | 9VQ | 0.8860 |
139 | MPP | 0.8859 |
140 | KYN | 0.8859 |
141 | 5TO | 0.8857 |
142 | 0K7 | 0.8854 |
143 | GL6 | 0.8854 |
144 | ZIP | 0.8852 |
145 | 5WS | 0.8848 |
146 | AED | 0.8847 |
147 | ML1 | 0.8846 |
148 | PLP | 0.8846 |
149 | 7L4 | 0.8845 |
150 | STV | 0.8844 |
151 | 1FL | 0.8842 |
152 | LRW | 0.8841 |
153 | X6P | 0.8837 |
154 | B5A | 0.8837 |
155 | LSQ | 0.8836 |
156 | TH4 | 0.8835 |
157 | 7ZO | 0.8833 |
158 | MJ5 | 0.8833 |
159 | DUR | 0.8832 |
160 | AKD | 0.8832 |
161 | G6P | 0.8832 |
162 | NFZ | 0.8831 |
163 | 33S | 0.8831 |
164 | P93 | 0.8830 |
165 | 5FL | 0.8825 |
166 | NBG | 0.8823 |
167 | CHQ | 0.8820 |
168 | HLP | 0.8818 |
169 | MIL | 0.8818 |
170 | X6W | 0.8818 |
171 | TXW | 0.8817 |
172 | AMR | 0.8816 |
173 | 5B2 | 0.8815 |
174 | 9B3 | 0.8813 |
175 | 2D2 | 0.8812 |
176 | 6QT | 0.8810 |
177 | 9F8 | 0.8808 |
178 | RK4 | 0.8808 |
179 | D1G | 0.8807 |
180 | CH8 | 0.8807 |
181 | 14W | 0.8807 |
182 | TA6 | 0.8804 |
183 | M6D | 0.8803 |
184 | AZC | 0.8803 |
185 | 536 | 0.8803 |
186 | MD6 | 0.8802 |
187 | 5E5 | 0.8802 |
188 | EV2 | 0.8798 |
189 | GHQ | 0.8796 |
190 | AJ1 | 0.8795 |
191 | 6FG | 0.8795 |
192 | WLH | 0.8794 |
193 | P4L | 0.8794 |
194 | P80 | 0.8791 |
195 | 8OB | 0.8791 |
196 | GA2 | 0.8791 |
197 | RKY | 0.8790 |
198 | NQ7 | 0.8789 |
199 | 2DL | 0.8788 |
200 | A7Q | 0.8787 |
201 | EYA | 0.8787 |
202 | E9P | 0.8785 |
203 | PTR | 0.8785 |
204 | 8OE | 0.8784 |
205 | D1Y | 0.8784 |
206 | GO8 | 0.8782 |
207 | G30 | 0.8781 |
208 | PMP | 0.8780 |
209 | 0DF | 0.8777 |
210 | GNW | 0.8777 |
211 | NAG | 0.8775 |
212 | F40 | 0.8773 |
213 | YO5 | 0.8773 |
214 | 6HP | 0.8773 |
215 | UN3 | 0.8772 |
216 | DDC | 0.8771 |
217 | ENG | 0.8771 |
218 | JFS | 0.8770 |
219 | QR2 | 0.8769 |
220 | PLR | 0.8768 |
221 | 6N4 | 0.8767 |
222 | AJ4 | 0.8762 |
223 | 7EH | 0.8760 |
224 | WDW | 0.8759 |
225 | 848 | 0.8758 |
226 | D2G | 0.8758 |
227 | 0FR | 0.8754 |
228 | 12R | 0.8754 |
229 | JHY | 0.8752 |
230 | EVO | 0.8752 |
231 | RDV | 0.8751 |
232 | H4B | 0.8751 |
233 | 6XC | 0.8750 |
234 | 8RK | 0.8744 |
235 | EV3 | 0.8744 |
236 | 20D | 0.8743 |
237 | BVS | 0.8743 |
238 | CSN | 0.8743 |
239 | PPN | 0.8741 |
240 | 1Q4 | 0.8741 |
241 | XI7 | 0.8741 |
242 | CUQ | 0.8739 |
243 | IQQ | 0.8738 |
244 | AJG | 0.8738 |
245 | 27K | 0.8736 |
246 | DL6 | 0.8736 |
247 | AJD | 0.8734 |
248 | S8P | 0.8730 |
249 | GRX | 0.8727 |
250 | PIQ | 0.8726 |
251 | DXK | 0.8725 |
252 | A8K | 0.8725 |
253 | JCZ | 0.8723 |
254 | RCV | 0.8722 |
255 | EXG | 0.8722 |
256 | LL1 | 0.8720 |
257 | 9F5 | 0.8719 |
258 | 57D | 0.8719 |
259 | OJD | 0.8718 |
260 | GAT | 0.8718 |
261 | 35K | 0.8717 |
262 | 2GQ | 0.8717 |
263 | 9C2 | 0.8717 |
264 | L21 | 0.8716 |
265 | 49P | 0.8716 |
266 | 79W | 0.8711 |
267 | NIP | 0.8711 |
268 | F52 | 0.8711 |
269 | 15Q | 0.8710 |
270 | U4J | 0.8710 |
271 | 60L | 0.8709 |
272 | X0T | 0.8708 |
273 | 4NR | 0.8707 |
274 | BGN | 0.8707 |
275 | 5F5 | 0.8702 |
276 | BG6 | 0.8700 |
277 | EXL | 0.8700 |
278 | 3JC | 0.8700 |
279 | LR2 | 0.8700 |
280 | L5D | 0.8698 |
281 | KU1 | 0.8697 |
282 | 28A | 0.8696 |
283 | S7D | 0.8696 |
284 | 2O8 | 0.8694 |
285 | F5C | 0.8693 |
286 | 4YZ | 0.8691 |
287 | EAT | 0.8689 |
288 | JF5 | 0.8688 |
289 | JBB | 0.8686 |
290 | 1HR | 0.8685 |
291 | 51Y | 0.8685 |
292 | 1ZC | 0.8684 |
293 | 5O5 | 0.8681 |
294 | HHB | 0.8679 |
295 | 9JT | 0.8679 |
296 | YE6 | 0.8679 |
297 | IQW | 0.8678 |
298 | 0LO | 0.8678 |
299 | 7G2 | 0.8677 |
300 | YE7 | 0.8676 |
301 | PE2 | 0.8673 |
302 | Z25 | 0.8673 |
303 | 4AU | 0.8672 |
304 | 11X | 0.8671 |
305 | FZ0 | 0.8670 |
306 | IBP | 0.8669 |
307 | 5RP | 0.8669 |
308 | 34L | 0.8668 |
309 | AVX | 0.8667 |
310 | 1V1 | 0.8665 |
311 | 8CC | 0.8664 |
312 | 9JH | 0.8663 |
313 | 27M | 0.8662 |
314 | HHV | 0.8662 |
315 | ONZ | 0.8661 |
316 | S7P | 0.8661 |
317 | M9N | 0.8660 |
318 | 9XZ | 0.8657 |
319 | YIH | 0.8656 |
320 | 8YH | 0.8655 |
321 | PMM | 0.8655 |
322 | BSA | 0.8654 |
323 | QMS | 0.8654 |
324 | CUT | 0.8653 |
325 | Q0K | 0.8653 |
326 | BQ2 | 0.8652 |
327 | EYJ | 0.8649 |
328 | 67Y | 0.8649 |
329 | 1V3 | 0.8648 |
330 | M02 | 0.8648 |
331 | SU9 | 0.8647 |
332 | 5C1 | 0.8646 |
333 | Y3L | 0.8645 |
334 | 3LJ | 0.8645 |
335 | QTV | 0.8643 |
336 | 0QA | 0.8641 |
337 | C0Y | 0.8640 |
338 | 5KJ | 0.8639 |
339 | 0OK | 0.8638 |
340 | HVE | 0.8637 |
341 | EWG | 0.8637 |
342 | 1SF | 0.8635 |
343 | CUH | 0.8634 |
344 | DBS | 0.8633 |
345 | PNP | 0.8632 |
346 | 3IP | 0.8631 |
347 | XIF XYP | 0.8630 |
348 | 3CA | 0.8630 |
349 | XYP XIF | 0.8627 |
350 | S46 | 0.8626 |
351 | 1ER | 0.8625 |
352 | BY5 | 0.8625 |
353 | 39Z | 0.8624 |
354 | ZMG | 0.8624 |
355 | NAR | 0.8623 |
356 | FT1 | 0.8621 |
357 | HWD | 0.8620 |
358 | 4MP | 0.8619 |
359 | 1HP | 0.8619 |
360 | 2QU | 0.8618 |
361 | DFL | 0.8616 |
362 | JPQ | 0.8615 |
363 | XYP XYP | 0.8613 |
364 | DIH | 0.8612 |
365 | SRO | 0.8612 |
366 | 47V | 0.8609 |
367 | UBP | 0.8608 |
368 | HKK | 0.8605 |
369 | 363 | 0.8604 |
370 | MQS | 0.8602 |
371 | HX8 | 0.8602 |
372 | 0OY | 0.8600 |
373 | M28 | 0.8600 |
374 | 7ZC | 0.8596 |
375 | 4NP | 0.8590 |
376 | KP2 | 0.8590 |
377 | 9UL | 0.8584 |
378 | BL0 | 0.8581 |
379 | F91 | 0.8581 |
380 | 4FE | 0.8581 |
381 | AGI | 0.8575 |
382 | 4CF | 0.8571 |
383 | JXK | 0.8570 |
384 | A9B | 0.8568 |
385 | FHI | 0.8567 |
386 | PJK | 0.8565 |
387 | GC3 | 0.8563 |
388 | 5WM | 0.8563 |
389 | LFQ | 0.8554 |
390 | LP8 | 0.8546 |
391 | MS0 | 0.8518 |
392 | 5VU | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 1x8x.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1x8x.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1x8x.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |