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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 9 families. | |||||
1 | 1DWV | - | HAR | C6 H14 N4 O3 | C(C[C@@H](.... |
2 | 2ORS | - | 391 | C21 H16 N4 O4 | Cc1cc(nc(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 1DWV | - | HAR | C6 H14 N4 O3 | C(C[C@@H](.... |
2 | 2ORS | - | 391 | C21 H16 N4 O4 | Cc1cc(nc(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HAR | 1 | 1 |
2 | NMM | 0.707317 | 0.744186 |
3 | NRG | 0.666667 | 0.722222 |
4 | NNH | 0.65 | 0.928571 |
5 | 1KJ | 0.644444 | 0.906977 |
6 | RPI | 0.630435 | 0.711538 |
7 | ILO | 0.619048 | 0.659091 |
8 | CIR | 0.6 | 0.681818 |
9 | 2KJ | 0.591837 | 0.886364 |
10 | D20 | 0.591837 | 0.673469 |
11 | AS1 | 0.591837 | 0.717391 |
12 | 4JK | 0.590909 | 0.704545 |
13 | VUR | 0.590909 | 0.681818 |
14 | DAR | 0.585366 | 0.780488 |
15 | ARG | 0.585366 | 0.780488 |
16 | WT2 | 0.577778 | 0.714286 |
17 | DA2 | 0.565217 | 0.64 |
18 | 3KJ | 0.553191 | 0.829787 |
19 | ONH | 0.55 | 0.804878 |
20 | JM2 | 0.541667 | 0.625 |
21 | LN6 | 0.52 | 0.617021 |
22 | HRG | 0.511111 | 0.780488 |
23 | JM7 | 0.509804 | 0.625 |
24 | JM4 | 0.509434 | 0.6 |
25 | 3AR | 0.5 | 0.711111 |
26 | VIO | 0.489796 | 0.617021 |
27 | 2MR | 0.489796 | 0.727273 |
28 | JM8 | 0.481481 | 0.612245 |
29 | JM6 | 0.481481 | 0.6 |
30 | JM5 | 0.472727 | 0.612245 |
31 | AHL | 0.468085 | 0.787234 |
32 | 5KJ | 0.431373 | 0.78 |
33 | BHH | 0.428571 | 0.772727 |
34 | ORN | 0.414634 | 0.625 |
35 | 6HN | 0.413043 | 0.607843 |
36 | AAR | 0.4 | 0.622222 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | H4B | 1.0000 |
2 | H2B | 1.0000 |
3 | HBI | 0.9981 |
4 | BHS | 0.9906 |
5 | ZSP | 0.9825 |
6 | BIO | 0.9708 |
7 | 0J4 | 0.9633 |
8 | NEO | 0.9623 |
9 | 7AP | 0.9604 |
10 | NEU | 0.9571 |
11 | MPU | 0.9494 |
12 | 2K8 | 0.9477 |
13 | KP2 | 0.9457 |
14 | HHS | 0.9431 |
15 | B52 | 0.9414 |
16 | RSV | 0.9412 |
17 | Q0K | 0.9409 |
18 | 7PJ | 0.9383 |
19 | M78 | 0.9379 |
20 | 0J5 | 0.9376 |
21 | NPX | 0.9349 |
22 | 8Y7 | 0.9332 |
23 | GXG | 0.9328 |
24 | N1E | 0.9314 |
25 | PH2 | 0.9294 |
26 | 5V7 | 0.9289 |
27 | KF5 | 0.9285 |
28 | FT6 | 0.9284 |
29 | BGU | 0.9279 |
30 | ZEC | 0.9274 |
31 | S60 | 0.9265 |
32 | 0FK | 0.9264 |
33 | 22L | 0.9250 |
34 | H4B NO | 0.9247 |
35 | 92O | 0.9246 |
36 | CC5 | 0.9239 |
37 | 4NR | 0.9238 |
38 | B61 | 0.9232 |
39 | TRP | 0.9229 |
40 | FF2 | 0.9229 |
41 | WV7 | 0.9222 |
42 | 0SY | 0.9219 |
43 | 3N1 | 0.9218 |
44 | AJ1 | 0.9216 |
45 | 0OK | 0.9214 |
46 | EUH | 0.9210 |
47 | HHR | 0.9210 |
48 | NPS | 0.9210 |
49 | SJK | 0.9208 |
50 | 5E5 | 0.9205 |
51 | GEN | 0.9202 |
52 | WS7 | 0.9199 |
53 | 3VX | 0.9190 |
54 | QIV | 0.9181 |
55 | CX6 | 0.9180 |
56 | 2WU | 0.9179 |
57 | 5AD | 0.9178 |
58 | 6FB | 0.9169 |
59 | YZ9 | 0.9162 |
60 | Z25 | 0.9156 |
61 | AC2 | 0.9152 |
62 | EV2 | 0.9151 |
63 | FYR | 0.9149 |
64 | B56 | 0.9148 |
65 | V1T | 0.9139 |
66 | CHQ | 0.9137 |
67 | 2QV | 0.9134 |
68 | ZYR | 0.9132 |
69 | IQW | 0.9131 |
70 | SYE | 0.9130 |
71 | T1N | 0.9122 |
72 | PIQ | 0.9122 |
73 | 5NN | 0.9122 |
74 | CTE | 0.9121 |
75 | ZYQ | 0.9119 |
76 | 0FR | 0.9117 |
77 | 1QV | 0.9117 |
78 | MD6 | 0.9115 |
79 | 2QU | 0.9113 |
80 | DX2 | 0.9111 |
81 | OLU | 0.9111 |
82 | B5A | 0.9110 |
83 | KMY | 0.9108 |
84 | S0G | 0.9106 |
85 | 4I8 | 0.9105 |
86 | BQ2 | 0.9104 |
87 | 8HC | 0.9102 |
88 | EUE | 0.9100 |
89 | 0JD | 0.9100 |
90 | XCG | 0.9099 |
91 | 0DF | 0.9098 |
92 | N91 | 0.9093 |
93 | 1Q4 | 0.9092 |
94 | PMM | 0.9092 |
95 | 3SU | 0.9089 |
96 | SKF | 0.9089 |
97 | N0Z | 0.9089 |
98 | 4KL | 0.9088 |
99 | 39Z | 0.9088 |
100 | DBS | 0.9087 |
101 | 7PS | 0.9085 |
102 | S0E | 0.9085 |
103 | IL5 | 0.9084 |
104 | WS6 | 0.9084 |
105 | 4Z1 | 0.9082 |
106 | THA | 0.9081 |
107 | UAY | 0.9078 |
108 | 657 | 0.9077 |
109 | 9R5 | 0.9076 |
110 | S98 | 0.9076 |
111 | K7H | 0.9075 |
112 | PRL | 0.9075 |
113 | 9UL | 0.9073 |
114 | TMG | 0.9072 |
115 | VUP | 0.9070 |
116 | Y3L | 0.9070 |
117 | PMP | 0.9066 |
118 | 2GQ | 0.9061 |
119 | AMR | 0.9060 |
120 | A5H | 0.9052 |
121 | JF2 | 0.9051 |
122 | ARP | 0.9051 |
123 | D64 | 0.9050 |
124 | EQA | 0.9050 |
125 | 54X | 0.9049 |
126 | BBY | 0.9049 |
127 | OA4 | 0.9049 |
128 | EES | 0.9046 |
129 | ZHA | 0.9042 |
130 | 6KT | 0.9042 |
131 | P9E | 0.9039 |
132 | 7L4 | 0.9038 |
133 | AJG | 0.9037 |
134 | 3GX | 0.9035 |
135 | 2PV | 0.9034 |
136 | FDR | 0.9033 |
137 | 8D6 | 0.9033 |
138 | 5S9 | 0.9031 |
139 | ONZ | 0.9029 |
140 | 68A | 0.9028 |
141 | 5WT | 0.9028 |
142 | LUM | 0.9026 |
143 | N2M | 0.9026 |
144 | 3D1 | 0.9025 |
145 | 9KZ | 0.9023 |
146 | ITE | 0.9023 |
147 | 5VU | 0.9017 |
148 | GO8 | 0.9015 |
149 | BVS | 0.9014 |
150 | THM | 0.9012 |
151 | Z21 | 0.9011 |
152 | 4AU | 0.9009 |
153 | EYY | 0.9008 |
154 | AUG | 0.9008 |
155 | GW3 | 0.9007 |
156 | SG2 | 0.9005 |
157 | 0GA | 0.9003 |
158 | 1ZC | 0.9002 |
159 | WSD | 0.9001 |
160 | GA2 | 0.9001 |
161 | 1FL | 0.9001 |
162 | 5SJ | 0.8999 |
163 | GZV | 0.8998 |
164 | 2PK | 0.8998 |
165 | TCR | 0.8998 |
166 | 6DQ | 0.8996 |
167 | 7EH | 0.8996 |
168 | M3F | 0.8991 |
169 | JOB | 0.8991 |
170 | AVX | 0.8991 |
171 | F5C | 0.8991 |
172 | 697 | 0.8991 |
173 | 3Y7 | 0.8991 |
174 | CL9 | 0.8990 |
175 | MFR | 0.8990 |
176 | 47X | 0.8990 |
177 | X0U | 0.8989 |
178 | 7D7 | 0.8988 |
179 | GJP | 0.8987 |
180 | DRG | 0.8985 |
181 | 9JT | 0.8984 |
182 | Z17 | 0.8983 |
183 | MUK | 0.8982 |
184 | 344 | 0.8981 |
185 | D9Z | 0.8981 |
186 | Y0V | 0.8978 |
187 | EI1 | 0.8978 |
188 | EYV | 0.8977 |
189 | 9ZE | 0.8975 |
190 | A5Q | 0.8975 |
191 | ADN | 0.8972 |
192 | NPA | 0.8971 |
193 | EXD | 0.8971 |
194 | M5H | 0.8971 |
195 | FCW | 0.8964 |
196 | 5TY | 0.8964 |
197 | GO2 | 0.8964 |
198 | 2O6 | 0.8964 |
199 | X48 | 0.8962 |
200 | G6P | 0.8961 |
201 | 3AD | 0.8960 |
202 | E6Q | 0.8958 |
203 | 2UD | 0.8958 |
204 | JF1 | 0.8956 |
205 | RVE | 0.8955 |
206 | M6P | 0.8955 |
207 | ZRK | 0.8954 |
208 | GB4 | 0.8954 |
209 | 4BY | 0.8954 |
210 | HNT | 0.8953 |
211 | 1DR | 0.8953 |
212 | 5B2 | 0.8953 |
213 | 0UL | 0.8952 |
214 | QME | 0.8951 |
215 | 1HP | 0.8948 |
216 | X0T | 0.8948 |
217 | 0J2 | 0.8947 |
218 | 3R4 | 0.8944 |
219 | 3WJ | 0.8940 |
220 | HRM | 0.8940 |
221 | 5F1 | 0.8936 |
222 | W23 | 0.8936 |
223 | 9FH | 0.8936 |
224 | 6QF | 0.8935 |
225 | 363 | 0.8935 |
226 | Q8G | 0.8935 |
227 | 96Z | 0.8935 |
228 | 1BW | 0.8935 |
229 | PLP | 0.8934 |
230 | DTR | 0.8933 |
231 | 22T | 0.8933 |
232 | IOS | 0.8933 |
233 | 15N | 0.8932 |
234 | NAG | 0.8931 |
235 | 0NJ | 0.8929 |
236 | PQM | 0.8928 |
237 | 46M | 0.8927 |
238 | 6L6 | 0.8926 |
239 | 2FX | 0.8926 |
240 | KLV | 0.8926 |
241 | 78U | 0.8926 |
242 | CEG | 0.8925 |
243 | CP6 | 0.8924 |
244 | AUE | 0.8924 |
245 | 5WS | 0.8924 |
246 | 9CE | 0.8924 |
247 | H75 | 0.8923 |
248 | MIL | 0.8923 |
249 | JYW | 0.8922 |
250 | FM1 | 0.8920 |
251 | BP7 | 0.8920 |
252 | 789 | 0.8920 |
253 | 109 | 0.8919 |
254 | BGN | 0.8918 |
255 | 2JX | 0.8917 |
256 | 26C | 0.8917 |
257 | HH6 | 0.8916 |
258 | 3L1 | 0.8916 |
259 | FNT | 0.8914 |
260 | 78P | 0.8914 |
261 | UQ1 | 0.8914 |
262 | F40 | 0.8913 |
263 | DE7 | 0.8913 |
264 | BA5 | 0.8911 |
265 | PQS | 0.8911 |
266 | 3D8 | 0.8910 |
267 | I2E | 0.8909 |
268 | WLH | 0.8909 |
269 | 7FU | 0.8909 |
270 | HRD | 0.8908 |
271 | APS | 0.8908 |
272 | IAC | 0.8907 |
273 | KYN | 0.8907 |
274 | CG | 0.8907 |
275 | MDR | 0.8906 |
276 | 6QT | 0.8906 |
277 | YE7 | 0.8902 |
278 | 2P3 | 0.8897 |
279 | LVY | 0.8896 |
280 | 5OR | 0.8893 |
281 | FER | 0.8893 |
282 | 9BF | 0.8893 |
283 | 4RU | 0.8892 |
284 | 5GV | 0.8892 |
285 | X04 | 0.8892 |
286 | XIF XYP | 0.8892 |
287 | 1CY | 0.8891 |
288 | 120 | 0.8891 |
289 | 549 | 0.8891 |
290 | KW7 | 0.8891 |
291 | 57D | 0.8890 |
292 | A7H | 0.8889 |
293 | MXD | 0.8889 |
294 | 54E | 0.8888 |
295 | JAH | 0.8887 |
296 | C2Y | 0.8886 |
297 | 89J | 0.8881 |
298 | LL1 | 0.8880 |
299 | 6ZW | 0.8880 |
300 | 7G0 | 0.8880 |
301 | 801 | 0.8879 |
302 | MPP | 0.8878 |
303 | AWE | 0.8877 |
304 | 8M5 | 0.8877 |
305 | 1HN | 0.8877 |
306 | 6HP | 0.8873 |
307 | EF2 | 0.8873 |
308 | TGW | 0.8872 |
309 | YF3 | 0.8871 |
310 | 6MD | 0.8871 |
311 | JXK | 0.8871 |
312 | FWD | 0.8870 |
313 | P2L | 0.8870 |
314 | 25F | 0.8868 |
315 | PRH | 0.8868 |
316 | LOT | 0.8868 |
317 | 7EL | 0.8867 |
318 | NAL | 0.8867 |
319 | E9S | 0.8866 |
320 | AQN | 0.8866 |
321 | ANC | 0.8865 |
322 | CR4 | 0.8864 |
323 | C4E | 0.8864 |
324 | 4FE | 0.8864 |
325 | MNS | 0.8863 |
326 | ZRL | 0.8862 |
327 | XYP XYP | 0.8861 |
328 | 1HR | 0.8861 |
329 | DXK | 0.8861 |
330 | 6EL | 0.8860 |
331 | 7MX | 0.8860 |
332 | H7S | 0.8860 |
333 | HA5 | 0.8859 |
334 | JA5 | 0.8859 |
335 | CDY | 0.8859 |
336 | 3UG | 0.8858 |
337 | 397 | 0.8858 |
338 | 0OO | 0.8858 |
339 | N4E | 0.8857 |
340 | 7MW | 0.8857 |
341 | 4CN | 0.8856 |
342 | XYP XIF | 0.8853 |
343 | TJM | 0.8852 |
344 | B21 | 0.8851 |
345 | YE6 | 0.8851 |
346 | PXP | 0.8850 |
347 | 15Q | 0.8847 |
348 | 9H2 | 0.8846 |
349 | ESI | 0.8845 |
350 | BVA | 0.8844 |
351 | 8W9 | 0.8842 |
352 | DTE | 0.8841 |
353 | GNG | 0.8841 |
354 | AU8 | 0.8840 |
355 | LP8 | 0.8839 |
356 | 52F | 0.8837 |
357 | OQC | 0.8836 |
358 | 3BH | 0.8836 |
359 | LFN | 0.8836 |
360 | 3F4 | 0.8835 |
361 | 42R | 0.8834 |
362 | SZ5 | 0.8834 |
363 | RGK | 0.8834 |
364 | GXD | 0.8833 |
365 | 5GT | 0.8832 |
366 | 1V3 | 0.8831 |
367 | NRA | 0.8831 |
368 | CU8 | 0.8829 |
369 | LTN | 0.8829 |
370 | 1V4 | 0.8829 |
371 | 1DA | 0.8828 |
372 | 5P3 | 0.8828 |
373 | MUX | 0.8826 |
374 | 1AJ | 0.8826 |
375 | P4L | 0.8826 |
376 | 61M | 0.8823 |
377 | 5WK | 0.8822 |
378 | WCU | 0.8821 |
379 | 1V1 | 0.8821 |
380 | 4GU | 0.8821 |
381 | 5M2 | 0.8821 |
382 | C2M | 0.8820 |
383 | 3WK | 0.8818 |
384 | D2G | 0.8817 |
385 | S0D | 0.8817 |
386 | DHC | 0.8817 |
387 | CX5 | 0.8817 |
388 | ZAR | 0.8817 |
389 | LWS | 0.8817 |
390 | EV3 | 0.8816 |
391 | FMB | 0.8816 |
392 | JYE | 0.8816 |
393 | CX4 | 0.8816 |
394 | 6J5 | 0.8815 |
395 | PIC | 0.8814 |
396 | 92P | 0.8814 |
397 | L15 | 0.8813 |
398 | 3JC | 0.8812 |
399 | N8Y | 0.8812 |
400 | HBO | 0.8812 |
401 | 5C1 | 0.8811 |
402 | HPR | 0.8810 |
403 | LR2 | 0.8810 |
404 | OA1 | 0.8809 |
405 | 28A | 0.8808 |
406 | DT7 | 0.8808 |
407 | 124 | 0.8807 |
408 | 6SD | 0.8806 |
409 | A6W | 0.8806 |
410 | SWX | 0.8805 |
411 | BMZ | 0.8805 |
412 | ZZZ | 0.8805 |
413 | Y70 | 0.8805 |
414 | 1FE | 0.8805 |
415 | IXG | 0.8804 |
416 | 5NB | 0.8804 |
417 | 36M | 0.8803 |
418 | N7I | 0.8803 |
419 | NYJ | 0.8803 |
420 | 3VW | 0.8803 |
421 | GJK | 0.8802 |
422 | B41 | 0.8801 |
423 | H35 | 0.8801 |
424 | DFL | 0.8799 |
425 | BG6 | 0.8798 |
426 | ZIP | 0.8797 |
427 | EYJ | 0.8797 |
428 | GI1 | 0.8797 |
429 | BWD | 0.8796 |
430 | M77 | 0.8796 |
431 | C93 | 0.8796 |
432 | ZTW | 0.8796 |
433 | PYU | 0.8795 |
434 | JP2 | 0.8794 |
435 | 4NP | 0.8793 |
436 | LR8 | 0.8793 |
437 | VC3 | 0.8792 |
438 | HA6 | 0.8792 |
439 | AX4 | 0.8791 |
440 | TBN | 0.8790 |
441 | VXX | 0.8790 |
442 | 3AK | 0.8789 |
443 | NIF | 0.8788 |
444 | RDT | 0.8787 |
445 | PLR | 0.8786 |
446 | CWD | 0.8786 |
447 | 20D | 0.8784 |
448 | 5CD | 0.8783 |
449 | 5N5 | 0.8783 |
450 | W8L | 0.8782 |
451 | CDJ | 0.8781 |
452 | 3J8 | 0.8780 |
453 | 428 | 0.8780 |
454 | FMQ | 0.8780 |
455 | GDL | 0.8780 |
456 | IOP | 0.8778 |
457 | 27K | 0.8777 |
458 | 8NX | 0.8775 |
459 | GI4 | 0.8774 |
460 | EAE | 0.8774 |
461 | 5I5 | 0.8773 |
462 | NOS | 0.8773 |
463 | A73 | 0.8773 |
464 | BB4 | 0.8773 |
465 | IDD | 0.8773 |
466 | A05 | 0.8770 |
467 | CPW | 0.8770 |
468 | GC2 | 0.8770 |
469 | 3QV | 0.8770 |
470 | 8ZE | 0.8768 |
471 | ARJ | 0.8767 |
472 | GMP | 0.8766 |
473 | 0HY | 0.8765 |
474 | 2L1 | 0.8765 |
475 | UFO | 0.8764 |
476 | M4E | 0.8764 |
477 | AJ4 | 0.8764 |
478 | B2L | 0.8762 |
479 | SLS | 0.8761 |
480 | 8OX | 0.8761 |
481 | EST | 0.8761 |
482 | NDG | 0.8760 |
483 | MFZ | 0.8759 |
484 | 6P3 | 0.8758 |
485 | 2J1 | 0.8757 |
486 | 5XL | 0.8757 |
487 | 833 | 0.8757 |
488 | M02 | 0.8756 |
489 | PVQ | 0.8756 |
490 | NKI | 0.8753 |
491 | 1SF | 0.8753 |
492 | OX2 | 0.8753 |
493 | FZM | 0.8751 |
494 | FCD | 0.8750 |
495 | MTP | 0.8750 |
496 | ETV | 0.8749 |
497 | FMC | 0.8749 |
498 | 3XH | 0.8748 |
499 | AOY | 0.8747 |
500 | 5ER | 0.8747 |
501 | E3X | 0.8747 |
502 | 1XS | 0.8746 |
503 | 6E8 | 0.8745 |
504 | A | 0.8745 |
505 | TSR | 0.8745 |
506 | 68B | 0.8744 |
507 | MP5 | 0.8743 |
508 | JY2 | 0.8743 |
509 | 4R1 | 0.8742 |
510 | EE8 | 0.8742 |
511 | 14Z | 0.8742 |
512 | AH9 | 0.8741 |
513 | 1QP | 0.8740 |
514 | EGR | 0.8740 |
515 | PNP | 0.8740 |
516 | 555 | 0.8739 |
517 | 5WN | 0.8738 |
518 | LJ3 | 0.8737 |
519 | ZME | 0.8737 |
520 | 92G | 0.8737 |
521 | JF8 | 0.8736 |
522 | JGB | 0.8735 |
523 | 14N | 0.8734 |
524 | 5FD | 0.8734 |
525 | 5XM | 0.8731 |
526 | NOC | 0.8731 |
527 | R4E | 0.8731 |
528 | HFT | 0.8727 |
529 | 4MB | 0.8727 |
530 | JBZ | 0.8725 |
531 | VM1 | 0.8724 |
532 | LI7 | 0.8724 |
533 | FY8 | 0.8723 |
534 | A4N | 0.8723 |
535 | 0OL | 0.8722 |
536 | LZB | 0.8722 |
537 | AD3 | 0.8722 |
538 | Q8D | 0.8721 |
539 | 3WO | 0.8721 |
540 | 3WN | 0.8721 |
541 | T98 | 0.8721 |
542 | BDI | 0.8721 |
543 | D8Q | 0.8720 |
544 | 2FD | 0.8719 |
545 | G30 | 0.8719 |
546 | MUR | 0.8718 |
547 | LLT | 0.8717 |
548 | ZEZ | 0.8716 |
549 | NQH | 0.8715 |
550 | 7I2 | 0.8714 |
551 | KLK | 0.8714 |
552 | TMC | 0.8714 |
553 | 848 | 0.8713 |
554 | NK5 | 0.8712 |
555 | AH6 | 0.8712 |
556 | BNX | 0.8712 |
557 | CBE | 0.8711 |
558 | M9K | 0.8710 |
559 | ALE | 0.8709 |
560 | 9FG | 0.8709 |
561 | 3QI | 0.8707 |
562 | EN1 | 0.8706 |
563 | ZYV | 0.8706 |
564 | SQM | 0.8706 |
565 | F02 | 0.8706 |
566 | 4L2 | 0.8706 |
567 | 4UO | 0.8705 |
568 | II4 | 0.8704 |
569 | 092 | 0.8704 |
570 | B2E | 0.8704 |
571 | 4HB | 0.8704 |
572 | 8HG | 0.8703 |
573 | P4T | 0.8702 |
574 | E9L | 0.8702 |
575 | IMH | 0.8701 |
576 | 3WL | 0.8700 |
577 | JYK | 0.8695 |
578 | L3L | 0.8694 |
579 | XYA | 0.8694 |
580 | CR1 | 0.8693 |
581 | GLP | 0.8693 |
582 | 6J9 | 0.8692 |
583 | 5O6 | 0.8692 |
584 | ZON | 0.8691 |
585 | 12R | 0.8690 |
586 | CIY | 0.8690 |
587 | ZZA | 0.8689 |
588 | L2K | 0.8689 |
589 | 4Z9 | 0.8689 |
590 | SQV | 0.8688 |
591 | 1A5 | 0.8688 |
592 | KY3 | 0.8688 |
593 | BPU | 0.8687 |
594 | X6P | 0.8687 |
595 | GB5 | 0.8687 |
596 | 2FA | 0.8686 |
597 | 5OO | 0.8685 |
598 | P0P | 0.8681 |
599 | B0K | 0.8681 |
600 | PTB | 0.8680 |
601 | 6WL | 0.8680 |
602 | TB8 | 0.8679 |
603 | KMP | 0.8679 |
604 | TYP | 0.8678 |
605 | G14 | 0.8678 |
606 | 0K7 | 0.8677 |
607 | VT3 | 0.8677 |
608 | M3W | 0.8676 |
609 | CXH | 0.8676 |
610 | 2D2 | 0.8675 |
611 | H2W | 0.8672 |
612 | A4D | 0.8671 |
613 | S7V | 0.8670 |
614 | F4K | 0.8669 |
615 | ERZ | 0.8669 |
616 | X2M | 0.8668 |
617 | PZP | 0.8668 |
618 | RKN | 0.8667 |
619 | J38 | 0.8666 |
620 | NIY | 0.8665 |
621 | CC6 | 0.8664 |
622 | 1OT | 0.8663 |
623 | DAH | 0.8663 |
624 | 5ID | 0.8662 |
625 | 2KU | 0.8660 |
626 | FM2 | 0.8657 |
627 | GOE | 0.8657 |
628 | AJD | 0.8657 |
629 | JMG | 0.8655 |
630 | 6Q3 | 0.8655 |
631 | CGW | 0.8655 |
632 | XDL XYP | 0.8654 |
633 | 26A | 0.8654 |
634 | D1Y | 0.8653 |
635 | XIL | 0.8653 |
636 | KWB | 0.8652 |
637 | 5RO | 0.8651 |
638 | M01 | 0.8650 |
639 | BPY | 0.8650 |
640 | PE2 | 0.8649 |
641 | OUB | 0.8647 |
642 | PVK | 0.8647 |
643 | IS2 | 0.8646 |
644 | PUE | 0.8646 |
645 | 0FO | 0.8644 |
646 | BHM | 0.8641 |
647 | MQG | 0.8639 |
648 | 3VQ | 0.8639 |
649 | 9GP | 0.8638 |
650 | B4O | 0.8638 |
651 | 6CR | 0.8636 |
652 | AGI | 0.8635 |
653 | MI2 | 0.8632 |
654 | ET0 | 0.8631 |
655 | BJ4 | 0.8630 |
656 | S7D | 0.8628 |
657 | 0LA | 0.8628 |
658 | 4UM | 0.8628 |
659 | XYP XDN | 0.8626 |
660 | ODK | 0.8624 |
661 | 80G | 0.8622 |
662 | 47V | 0.8622 |
663 | RAB | 0.8622 |
664 | 3RP | 0.8619 |
665 | A6P | 0.8619 |
666 | EQW | 0.8618 |
667 | NQ7 | 0.8617 |
668 | 4FF | 0.8617 |
669 | TR4 | 0.8613 |
670 | 8UY | 0.8613 |
671 | C9E | 0.8613 |
672 | FSU | 0.8613 |
673 | H4E | 0.8612 |
674 | 6BK | 0.8612 |
675 | 2L2 | 0.8610 |
676 | V13 | 0.8609 |
677 | NE2 | 0.8608 |
678 | ENG | 0.8608 |
679 | 041 | 0.8608 |
680 | EAT | 0.8607 |
681 | 1EB | 0.8606 |
682 | MPK | 0.8604 |
683 | A8D | 0.8601 |
684 | ALR | 0.8599 |
685 | UA2 | 0.8599 |
686 | V2Z | 0.8599 |
687 | WDW | 0.8597 |
688 | CFA | 0.8597 |
689 | C0H | 0.8593 |
690 | 64F | 0.8589 |
691 | 6WR | 0.8585 |
692 | 5XK | 0.8582 |
693 | W29 | 0.8582 |
694 | 5H6 | 0.8579 |
695 | DX7 | 0.8578 |
696 | 5WU | 0.8572 |
697 | MVN | 0.8571 |
698 | 3TV | 0.8569 |
699 | PCQ | 0.8568 |
700 | 4BX | 0.8567 |
701 | PPN | 0.8566 |
702 | UN9 | 0.8566 |
703 | AVA | 0.8566 |
704 | 5UD | 0.8565 |
705 | 244 | 0.8564 |
706 | QIF | 0.8563 |
707 | DCF | 0.8562 |
708 | LO1 | 0.8561 |
709 | L21 | 0.8561 |
710 | GJG | 0.8559 |
711 | PZ8 | 0.8551 |
712 | ATX | 0.8549 |
713 | 51Y | 0.8547 |
714 | AZC | 0.8536 |
715 | RUG | 0.8534 |
716 | 5TT | 0.8533 |
717 | CMU | 0.8528 |
718 | L46 | 0.8527 |
719 | PUR | 0.8527 |
720 | RPP | 0.8521 |
721 | WG8 | 0.8519 |
722 | FC2 | 0.8515 |
723 | EY7 | 0.8507 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GGB | 0.9697 |
2 | ABH | 0.9597 |
3 | MLY | 0.9572 |
4 | NPI | 0.9442 |
5 | KPV | 0.9398 |
6 | EXY | 0.9387 |
7 | FB6 | 0.9352 |
8 | DNN | 0.9350 |
9 | IAR | 0.9342 |
10 | DHH | 0.9340 |
11 | MLZ | 0.9310 |
12 | 26P | 0.9307 |
13 | EGV | 0.9293 |
14 | Z70 | 0.9280 |
15 | M3L | 0.9279 |
16 | 4KJ | 0.9264 |
17 | SB7 | 0.9253 |
18 | LPA | 0.9248 |
19 | JGY | 0.9242 |
20 | J9Y | 0.9233 |
21 | 5AB | 0.9230 |
22 | S2C | 0.9223 |
23 | NOT | 0.9223 |
24 | 5PV | 0.9222 |
25 | TEG | 0.9205 |
26 | SB9 | 0.9188 |
27 | API | 0.9179 |
28 | 6FG | 0.9174 |
29 | E8U | 0.9163 |
30 | ENW | 0.9160 |
31 | 2OR | 0.9158 |
32 | PML | 0.9144 |
33 | 2NP | 0.9142 |
34 | GVA | 0.9127 |
35 | I58 | 0.9127 |
36 | 2J3 | 0.9122 |
37 | 4ZD | 0.9121 |
38 | HJD | 0.9118 |
39 | KAP | 0.9110 |
40 | ALY | 0.9110 |
41 | XI7 | 0.9109 |
42 | ENV | 0.9107 |
43 | 11X | 0.9088 |
44 | MKN | 0.9087 |
45 | ZZU | 0.9085 |
46 | NFZ | 0.9084 |
47 | SZ7 | 0.9084 |
48 | OCA | 0.9084 |
49 | 6C5 | 0.9072 |
50 | KNA | 0.9072 |
51 | DKA | 0.9072 |
52 | RGP | 0.9066 |
53 | 19N | 0.9062 |
54 | 8AC | 0.9057 |
55 | 7XA | 0.9054 |
56 | S0B | 0.9050 |
57 | 3GZ | 0.9038 |
58 | BZM | 0.9037 |
59 | IJ6 | 0.9036 |
60 | G3M | 0.9033 |
61 | JX7 | 0.9025 |
62 | M5P | 0.9022 |
63 | P93 | 0.9021 |
64 | 4Z0 | 0.9015 |
65 | 9J6 | 0.9008 |
66 | JF5 | 0.9006 |
67 | OJD | 0.9004 |
68 | KLS | 0.8995 |
69 | 5TO | 0.8994 |
70 | 9YT | 0.8982 |
71 | XOG | 0.8979 |
72 | FZ3 | 0.8977 |
73 | 6C9 | 0.8976 |
74 | 1PS | 0.8974 |
75 | 6C4 | 0.8974 |
76 | 58X | 0.8974 |
77 | OOG | 0.8973 |
78 | 4DI | 0.8971 |
79 | LL2 | 0.8969 |
80 | N8C | 0.8959 |
81 | UN1 | 0.8949 |
82 | D53 | 0.8947 |
83 | DTB | 0.8938 |
84 | IJ1 | 0.8937 |
85 | S0F | 0.8932 |
86 | 3CX | 0.8930 |
87 | 0V7 | 0.8930 |
88 | PRO GLY | 0.8930 |
89 | SPD | 0.8923 |
90 | A51 | 0.8921 |
91 | 0QA | 0.8920 |
92 | 0XR | 0.8916 |
93 | TPM | 0.8912 |
94 | D4G | 0.8909 |
95 | AOY | 0.8908 |
96 | GHQ | 0.8905 |
97 | GRQ | 0.8903 |
98 | GGG | 0.8900 |
99 | LVD | 0.8898 |
100 | HLP | 0.8897 |
101 | MVH | 0.8891 |
102 | 3S9 | 0.8890 |
103 | A8K | 0.8889 |
104 | TBJ | 0.8888 |
105 | AHN | 0.8885 |
106 | 3IP | 0.8885 |
107 | PHQ ALA | 0.8877 |
108 | 8YH | 0.8872 |
109 | 011 | 0.8868 |
110 | DA3 | 0.8868 |
111 | OKP | 0.8865 |
112 | PQV | 0.8858 |
113 | YOF | 0.8854 |
114 | 4TB | 0.8848 |
115 | PZX | 0.8844 |
116 | 4YZ | 0.8840 |
117 | 9OD | 0.8837 |
118 | 1HS | 0.8837 |
119 | 1HR | 0.8822 |
120 | S7D | 0.8818 |
121 | 3YP | 0.8817 |
122 | DI9 | 0.8816 |
123 | 7MW | 0.8814 |
124 | 2FM | 0.8811 |
125 | MGB | 0.8806 |
126 | DHM | 0.8802 |
127 | AZM | 0.8802 |
128 | ODI | 0.8801 |
129 | A7Q | 0.8795 |
130 | FHV | 0.8795 |
131 | 64Z | 0.8791 |
132 | YIP | 0.8787 |
133 | D10 | 0.8781 |
134 | IYR | 0.8781 |
135 | MF3 | 0.8778 |
136 | 8CV | 0.8773 |
137 | 27K | 0.8771 |
138 | JFM | 0.8770 |
139 | 0OP | 0.8770 |
140 | M5B | 0.8769 |
141 | DX5 | 0.8769 |
142 | CT0 | 0.8764 |
143 | 6MW | 0.8760 |
144 | 3GC | 0.8760 |
145 | PA5 | 0.8760 |
146 | SLZ | 0.8759 |
147 | YE6 | 0.8754 |
148 | GLY GLY GLY | 0.8754 |
149 | DBE | 0.8753 |
150 | N2Y | 0.8749 |
151 | F98 | 0.8749 |
152 | 4FP | 0.8747 |
153 | OJM | 0.8743 |
154 | BSU | 0.8743 |
155 | DZA | 0.8741 |
156 | PUE | 0.8740 |
157 | 0L1 | 0.8739 |
158 | AX5 | 0.8738 |
159 | ZE7 | 0.8734 |
160 | KPC | 0.8734 |
161 | HPK | 0.8732 |
162 | TZP | 0.8732 |
163 | IPE | 0.8728 |
164 | RP3 | 0.8725 |
165 | STV | 0.8721 |
166 | N9M | 0.8719 |
167 | RE4 | 0.8719 |
168 | E79 | 0.8711 |
169 | 3H2 | 0.8711 |
170 | SS9 | 0.8698 |
171 | PBN | 0.8697 |
172 | DIA | 0.8697 |
173 | 5UF | 0.8697 |
174 | GAE | 0.8696 |
175 | HPX | 0.8692 |
176 | 4Z1 | 0.8690 |
177 | 4TP | 0.8689 |
178 | VFG | 0.8688 |
179 | S0A | 0.8687 |
180 | A9B | 0.8687 |
181 | 0K7 | 0.8685 |
182 | 5DS | 0.8685 |
183 | HL6 | 0.8685 |
184 | FXY | 0.8684 |
185 | 9VQ | 0.8682 |
186 | HPL | 0.8681 |
187 | A98 | 0.8680 |
188 | 6L6 | 0.8676 |
189 | PMV | 0.8675 |
190 | E4P | 0.8673 |
191 | HPO | 0.8673 |
192 | 37E | 0.8671 |
193 | STL | 0.8665 |
194 | DXP | 0.8660 |
195 | L06 | 0.8659 |
196 | R10 | 0.8657 |
197 | HPZ | 0.8651 |
198 | HX8 | 0.8651 |
199 | BZQ | 0.8650 |
200 | A5P | 0.8647 |
201 | IPR | 0.8647 |
202 | YIH | 0.8646 |
203 | LYS | 0.8643 |
204 | KYN | 0.8634 |
205 | D2G | 0.8629 |
206 | N9J | 0.8624 |
207 | CXP | 0.8616 |
208 | PUW | 0.8611 |
209 | 7N8 | 0.8609 |
210 | TZM | 0.8597 |
211 | TYR | 0.8596 |
212 | TMG | 0.8595 |
213 | MD6 | 0.8590 |
214 | BL0 | 0.8580 |
215 | 94X | 0.8579 |
216 | NK5 | 0.8576 |
217 | 5O5 | 0.8575 |
218 | SNR | 0.8574 |
219 | CCW | 0.8567 |
220 | M2E | 0.8566 |
221 | 0OY | 0.8563 |
222 | 11C | 0.8562 |
223 | 7VY | 0.8559 |
224 | 0OL | 0.8556 |
225 | 9JH | 0.8555 |
226 | F02 | 0.8546 |
227 | 2JJ | 0.8544 |
228 | JVD | 0.8543 |
229 | 6J5 | 0.8539 |
230 | 5SP | 0.8533 |
231 | G6Q | 0.8529 |
232 | OC9 | 0.8523 |
This union binding pocket(no: 1) in the query (biounit: 2oro.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |