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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 1331 families. | |||||
1 | 3CNM | - | HHA | C7 H9 N O3 | C1=C[C@@H].... |
2 | 3JUQ | Kd = 8.55 uM | AJD | C12 H15 Br N2 O2 | c1cc(c(cc1.... |
3 | 3DZL | - | 3OC | C7 H10 O3 | C1C[C@H](C.... |
4 | 3JUN | Kd = 8.55 uM | AJD | C12 H15 Br N2 O2 | c1cc(c(cc1.... |
5 | 3JUM | - | AOD | C14 H16 Br N O4 | c1cc(c(cc1.... |
6 | 3JUO | Kd = 8.55 uM | AJD | C12 H15 Br N2 O2 | c1cc(c(cc1.... |
7 | 3B4P | Kd = 4 uM | 3B4 | C13 H17 N O2 | c1ccc(c(c1.... |
8 | 3JUP | Kd = 2.63 uM | AKD | C12 H14 Br N2 O2 | c1cc(c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3CNM | - | HHA | C7 H9 N O3 | C1=C[C@@H].... |
2 | 3JUQ | Kd = 8.55 uM | AJD | C12 H15 Br N2 O2 | c1cc(c(cc1.... |
3 | 3DZL | - | 3OC | C7 H10 O3 | C1C[C@H](C.... |
4 | 3JUN | Kd = 8.55 uM | AJD | C12 H15 Br N2 O2 | c1cc(c(cc1.... |
5 | 3JUM | - | AOD | C14 H16 Br N O4 | c1cc(c(cc1.... |
6 | 3JUO | Kd = 8.55 uM | AJD | C12 H15 Br N2 O2 | c1cc(c(cc1.... |
7 | 3B4P | Kd = 4 uM | 3B4 | C13 H17 N O2 | c1ccc(c(c1.... |
8 | 3JUP | Kd = 2.63 uM | AKD | C12 H14 Br N2 O2 | c1cc(c(cc1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 3B4 | 0.9588 |
2 | TLF | 0.9426 |
3 | 2LX | 0.9405 |
4 | AYS | 0.9359 |
5 | ID8 | 0.9345 |
6 | 5E4 | 0.9321 |
7 | FNA | 0.9276 |
8 | MJ5 | 0.9243 |
9 | 3AK | 0.9223 |
10 | 7M5 | 0.9216 |
11 | BIE | 0.9213 |
12 | TRF | 0.9199 |
13 | 6J3 | 0.9195 |
14 | 7VF | 0.9180 |
15 | S0I | 0.9179 |
16 | 43F | 0.9165 |
17 | 5P3 | 0.9164 |
18 | SLY | 0.9159 |
19 | FPL | 0.9152 |
20 | 7L4 | 0.9145 |
21 | 2XY | 0.9141 |
22 | L21 | 0.9140 |
23 | CH8 | 0.9136 |
24 | CX4 | 0.9133 |
25 | B23 | 0.9124 |
26 | EXL | 0.9124 |
27 | 3Y7 | 0.9122 |
28 | BQ5 | 0.9116 |
29 | MBP | 0.9108 |
30 | 878 | 0.9105 |
31 | 7M2 | 0.9101 |
32 | WL3 | 0.9088 |
33 | P4L | 0.9083 |
34 | F40 | 0.9083 |
35 | 9F8 | 0.9083 |
36 | J47 | 0.9077 |
37 | TCC | 0.9073 |
38 | O2Y | 0.9071 |
39 | HHV | 0.9066 |
40 | 25O | 0.9063 |
41 | 6J9 | 0.9056 |
42 | 8OB | 0.9056 |
43 | L3L | 0.9054 |
44 | CJZ | 0.9052 |
45 | QZ8 | 0.9052 |
46 | 22L | 0.9048 |
47 | PW1 | 0.9045 |
48 | 555 | 0.9044 |
49 | DXK | 0.9040 |
50 | P2L | 0.9035 |
51 | 57D | 0.9021 |
52 | P9I | 0.9021 |
53 | 4GP | 0.9021 |
54 | SER DNF | 0.9019 |
55 | DNF SER | 0.9019 |
56 | PMP | 0.9017 |
57 | 4F8 | 0.9017 |
58 | TH4 | 0.9015 |
59 | 4Z1 | 0.9008 |
60 | B4O | 0.9006 |
61 | OSB | 0.9002 |
62 | FUZ | 0.9000 |
63 | PLP | 0.8996 |
64 | CMU | 0.8993 |
65 | 2GQ | 0.8992 |
66 | AVX | 0.8991 |
67 | U19 | 0.8990 |
68 | 3D8 | 0.8990 |
69 | E9P | 0.8990 |
70 | 56N | 0.8987 |
71 | RVE | 0.8978 |
72 | DCN | 0.8978 |
73 | W8G | 0.8978 |
74 | 9E3 | 0.8976 |
75 | 96R | 0.8976 |
76 | 7QY | 0.8973 |
77 | TCL | 0.8973 |
78 | ALN | 0.8972 |
79 | CUT | 0.8972 |
80 | IK1 | 0.8971 |
81 | JMS | 0.8970 |
82 | ELH | 0.8966 |
83 | 6PB | 0.8966 |
84 | 9CE | 0.8966 |
85 | Q5M | 0.8963 |
86 | WLH | 0.8962 |
87 | EXG | 0.8960 |
88 | CPW | 0.8958 |
89 | KOM | 0.8958 |
90 | M02 | 0.8958 |
91 | AUY | 0.8958 |
92 | TOM | 0.8957 |
93 | MUR | 0.8954 |
94 | 61O | 0.8950 |
95 | 49N | 0.8949 |
96 | DDC | 0.8948 |
97 | 12R | 0.8946 |
98 | RGK | 0.8945 |
99 | PXP | 0.8943 |
100 | 3DE | 0.8943 |
101 | 3F4 | 0.8942 |
102 | DFL | 0.8941 |
103 | SZ5 | 0.8940 |
104 | 5OF | 0.8938 |
105 | NKI | 0.8935 |
106 | SNB | 0.8934 |
107 | 67Y | 0.8930 |
108 | NFK | 0.8927 |
109 | 89J | 0.8925 |
110 | 3GX | 0.8924 |
111 | 25F | 0.8924 |
112 | 6XC | 0.8923 |
113 | MW5 | 0.8921 |
114 | 3JC | 0.8916 |
115 | EVO | 0.8914 |
116 | 7NU | 0.8914 |
117 | ACE PHE | 0.8910 |
118 | HH6 | 0.8909 |
119 | 4GU | 0.8909 |
120 | B4L | 0.8909 |
121 | CFK | 0.8904 |
122 | 8OE | 0.8900 |
123 | A4V | 0.8897 |
124 | 3IL | 0.8895 |
125 | XFE | 0.8894 |
126 | TRP | 0.8893 |
127 | ITW | 0.8893 |
128 | XIF XYP | 0.8891 |
129 | XYP XIF | 0.8890 |
130 | 1U7 | 0.8885 |
131 | SQP | 0.8883 |
132 | FC3 | 0.8883 |
133 | 9AA | 0.8880 |
134 | 3WJ | 0.8879 |
135 | LI4 | 0.8877 |
136 | XQI | 0.8876 |
137 | PYU | 0.8875 |
138 | IEO | 0.8869 |
139 | P0P | 0.8868 |
140 | AVA | 0.8868 |
141 | DFV | 0.8862 |
142 | A73 | 0.8860 |
143 | KP2 | 0.8858 |
144 | NPL | 0.8858 |
145 | 7ZL | 0.8858 |
146 | 20D | 0.8858 |
147 | 5NN | 0.8858 |
148 | NLA | 0.8857 |
149 | 4OG | 0.8856 |
150 | 5JT | 0.8856 |
151 | 2GD | 0.8855 |
152 | 27M | 0.8850 |
153 | 6DQ | 0.8848 |
154 | 977 | 0.8847 |
155 | MOK | 0.8845 |
156 | I59 | 0.8845 |
157 | BBY | 0.8844 |
158 | IM4 | 0.8843 |
159 | BPY | 0.8839 |
160 | 2LT | 0.8837 |
161 | 5WM | 0.8837 |
162 | 69K | 0.8836 |
163 | HA6 | 0.8835 |
164 | M3E | 0.8835 |
165 | B2Y | 0.8835 |
166 | WVV | 0.8834 |
167 | HO6 | 0.8834 |
168 | PZP | 0.8833 |
169 | GT1 | 0.8833 |
170 | NYJ | 0.8833 |
171 | AZY | 0.8832 |
172 | 6QT | 0.8832 |
173 | 6J5 | 0.8831 |
174 | GI1 | 0.8829 |
175 | KFN | 0.8829 |
176 | 2NJ | 0.8828 |
177 | 1V3 | 0.8826 |
178 | 78P | 0.8824 |
179 | B5A | 0.8824 |
180 | LUR | 0.8823 |
181 | ABJ | 0.8821 |
182 | XZ8 | 0.8821 |
183 | QMS | 0.8820 |
184 | 5WN | 0.8818 |
185 | 4P8 | 0.8815 |
186 | 3WK | 0.8814 |
187 | DTR | 0.8814 |
188 | 51Y | 0.8814 |
189 | BY5 | 0.8812 |
190 | RGG | 0.8810 |
191 | TR4 | 0.8810 |
192 | ZYV | 0.8809 |
193 | BPS | 0.8809 |
194 | IKY | 0.8807 |
195 | CUH | 0.8806 |
196 | CMG | 0.8803 |
197 | 1V4 | 0.8803 |
198 | FER | 0.8802 |
199 | PP1 | 0.8802 |
200 | 54E | 0.8802 |
201 | 6JO | 0.8801 |
202 | VT3 | 0.8799 |
203 | M3Q | 0.8798 |
204 | 1V1 | 0.8798 |
205 | BZE | 0.8797 |
206 | 3GC | 0.8797 |
207 | XYP XYP | 0.8796 |
208 | A7K | 0.8792 |
209 | OX2 | 0.8790 |
210 | LTN | 0.8789 |
211 | MXD | 0.8788 |
212 | C4E | 0.8787 |
213 | XYP XDN | 0.8785 |
214 | AB3 | 0.8785 |
215 | QUB | 0.8783 |
216 | XDN XYP | 0.8783 |
217 | NTF | 0.8783 |
218 | B2T | 0.8782 |
219 | K3Y | 0.8782 |
220 | 4NR | 0.8781 |
221 | H70 | 0.8779 |
222 | FHI | 0.8777 |
223 | CR1 | 0.8777 |
224 | 5SB | 0.8775 |
225 | 1Q4 | 0.8773 |
226 | M01 | 0.8772 |
227 | KF5 | 0.8772 |
228 | JR2 | 0.8771 |
229 | F5C | 0.8769 |
230 | 4EU | 0.8766 |
231 | 3WN | 0.8766 |
232 | 3WO | 0.8766 |
233 | SRE | 0.8764 |
234 | 683 | 0.8763 |
235 | 2VQ | 0.8762 |
236 | TI7 | 0.8761 |
237 | 5V7 | 0.8759 |
238 | CLU | 0.8758 |
239 | CFA | 0.8758 |
240 | PBQ | 0.8757 |
241 | C0H | 0.8756 |
242 | AZC | 0.8753 |
243 | DNB | 0.8752 |
244 | 28A | 0.8751 |
245 | H35 | 0.8749 |
246 | FVV | 0.8749 |
247 | S3C | 0.8749 |
248 | B21 | 0.8749 |
249 | 49O | 0.8746 |
250 | UN4 | 0.8746 |
251 | 5OO | 0.8745 |
252 | AXX | 0.8743 |
253 | A1Y | 0.8740 |
254 | FB4 | 0.8739 |
255 | NAR | 0.8739 |
256 | 1VQ | 0.8738 |
257 | KWB | 0.8738 |
258 | 4K2 | 0.8738 |
259 | 78U | 0.8737 |
260 | LL1 | 0.8737 |
261 | 67X | 0.8737 |
262 | LWS | 0.8732 |
263 | TOH | 0.8732 |
264 | Q0K | 0.8726 |
265 | G6P | 0.8726 |
266 | CP7 | 0.8726 |
267 | RB2 | 0.8723 |
268 | CP6 | 0.8721 |
269 | PP2 | 0.8718 |
270 | 6HP | 0.8717 |
271 | FTV | 0.8717 |
272 | 9PL | 0.8716 |
273 | 2KU | 0.8714 |
274 | H4B | 0.8714 |
275 | T6Z | 0.8714 |
276 | W1G | 0.8714 |
277 | 3SU | 0.8711 |
278 | IBM | 0.8711 |
279 | YKG | 0.8711 |
280 | 2K8 | 0.8710 |
281 | 9GP | 0.8707 |
282 | 96Z | 0.8706 |
283 | MZM | 0.8704 |
284 | DDU | 0.8703 |
285 | L8J | 0.8701 |
286 | JNW | 0.8699 |
287 | CCV | 0.8699 |
288 | DIF | 0.8698 |
289 | NIY | 0.8698 |
290 | CBE | 0.8697 |
291 | FCW | 0.8695 |
292 | PV4 | 0.8695 |
293 | 5I5 | 0.8693 |
294 | 6NZ | 0.8693 |
295 | GAT | 0.8692 |
296 | A4G | 0.8690 |
297 | DKX | 0.8687 |
298 | JA3 | 0.8687 |
299 | 8NX | 0.8687 |
300 | HHT | 0.8686 |
301 | 9UL | 0.8686 |
302 | XYS XYP | 0.8686 |
303 | IOP | 0.8685 |
304 | EQW | 0.8685 |
305 | S7B | 0.8681 |
306 | 697 | 0.8680 |
307 | MUK | 0.8680 |
308 | 018 | 0.8679 |
309 | 9BF | 0.8677 |
310 | MP5 | 0.8677 |
311 | ZEZ | 0.8676 |
312 | M4B | 0.8675 |
313 | 55D | 0.8675 |
314 | MIL | 0.8672 |
315 | VM1 | 0.8671 |
316 | 8DA | 0.8670 |
317 | PIR | 0.8670 |
318 | 536 | 0.8670 |
319 | 36Z | 0.8670 |
320 | LP8 | 0.8669 |
321 | CWE | 0.8669 |
322 | XDL XYP | 0.8668 |
323 | NQH | 0.8666 |
324 | 3RH | 0.8664 |
325 | HKK | 0.8662 |
326 | 53X | 0.8661 |
327 | GTV | 0.8660 |
328 | LR2 | 0.8659 |
329 | 88R | 0.8659 |
330 | THU | 0.8656 |
331 | 9JT | 0.8654 |
332 | 54X | 0.8649 |
333 | 6DP | 0.8648 |
334 | A04 | 0.8647 |
335 | DKZ | 0.8646 |
336 | 1FF | 0.8645 |
337 | CU5 | 0.8645 |
338 | 17C | 0.8645 |
339 | C6Z | 0.8644 |
340 | SSM | 0.8643 |
341 | 6DE | 0.8643 |
342 | 9KH | 0.8640 |
343 | 47V | 0.8639 |
344 | ZIQ | 0.8639 |
345 | MEX | 0.8638 |
346 | N1Y | 0.8637 |
347 | P9T | 0.8637 |
348 | FUJ | 0.8637 |
349 | BG6 | 0.8637 |
350 | CQW | 0.8636 |
351 | SBK | 0.8636 |
352 | KYN | 0.8635 |
353 | 4Z9 | 0.8635 |
354 | JFS | 0.8628 |
355 | ING | 0.8627 |
356 | 1FL | 0.8625 |
357 | Q2R | 0.8625 |
358 | C0W | 0.8623 |
359 | D1Y | 0.8623 |
360 | 0GA | 0.8622 |
361 | M6P | 0.8622 |
362 | 1SF | 0.8621 |
363 | TB8 | 0.8620 |
364 | XIL | 0.8619 |
365 | BZS | 0.8613 |
366 | RUG | 0.8611 |
367 | 0J4 | 0.8611 |
368 | FF2 | 0.8610 |
369 | NCV | 0.8608 |
370 | CC5 | 0.8607 |
371 | IOS | 0.8607 |
372 | 5AD | 0.8607 |
373 | 16Z | 0.8606 |
374 | IMK | 0.8606 |
375 | 92O | 0.8603 |
376 | O9Q | 0.8603 |
377 | F69 | 0.8601 |
378 | 4R1 | 0.8597 |
379 | C53 | 0.8594 |
380 | EYM | 0.8594 |
381 | DUR | 0.8592 |
382 | 6JM | 0.8592 |
383 | FT3 | 0.8589 |
384 | BNY | 0.8584 |
385 | GI4 | 0.8583 |
386 | A3Q | 0.8582 |
387 | CJB | 0.8580 |
388 | JUO | 0.8579 |
389 | 46M | 0.8573 |
390 | DBQ | 0.8572 |
391 | X48 | 0.8569 |
392 | NWD | 0.8568 |
393 | OAI | 0.8567 |
394 | D6G | 0.8566 |
395 | 145 | 0.8560 |
396 | EV3 | 0.8559 |
397 | DCZ | 0.8558 |
398 | 15Q | 0.8553 |
399 | SV4 | 0.8553 |
400 | 6KP | 0.8552 |
401 | 692 | 0.8550 |
402 | B61 | 0.8545 |
403 | DK4 | 0.8538 |
404 | MST | 0.8532 |
405 | L07 | 0.8521 |
406 | Q8G | 0.8519 |
407 | OBP | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 3juq.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3juq.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3juq.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3juq.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |