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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 277 families. | |||||
1 | 1S4M | - | LUM | C12 H10 N4 O2 | Cc1cc2c(cc.... |
2 | 1T6X | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 1T6Z | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 1S4M | - | LUM | C12 H10 N4 O2 | Cc1cc2c(cc.... |
2 | 1T6X | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 1T6Z | - | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LUM | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LFN | 0.9881 |
2 | NRA | 0.9800 |
3 | 1DR | 0.9641 |
4 | PRL | 0.9638 |
5 | 2WU | 0.9566 |
6 | ZSP | 0.9559 |
7 | DNQ | 0.9550 |
8 | CNI | 0.9547 |
9 | H4B | 0.9546 |
10 | S98 | 0.9534 |
11 | FQX | 0.9507 |
12 | JRO | 0.9501 |
13 | ZRK | 0.9472 |
14 | 0SY | 0.9456 |
15 | 2J1 | 0.9454 |
16 | 6FB | 0.9444 |
17 | BGU | 0.9420 |
18 | S60 | 0.9414 |
19 | CX6 | 0.9397 |
20 | ITE | 0.9396 |
21 | 2QU | 0.9392 |
22 | 28A | 0.9387 |
23 | 6QF | 0.9362 |
24 | ANC | 0.9352 |
25 | HRD | 0.9341 |
26 | MR6 | 0.9336 |
27 | IDZ | 0.9315 |
28 | 9CE | 0.9313 |
29 | 5WT | 0.9305 |
30 | 0NJ | 0.9304 |
31 | L2K | 0.9304 |
32 | HRM | 0.9298 |
33 | II4 | 0.9292 |
34 | EMO | 0.9287 |
35 | 5E5 | 0.9279 |
36 | JF8 | 0.9278 |
37 | DX7 | 0.9277 |
38 | 344 | 0.9268 |
39 | MR4 | 0.9256 |
40 | NKI | 0.9254 |
41 | OLU | 0.9245 |
42 | 0UL | 0.9234 |
43 | 27M | 0.9230 |
44 | RGK | 0.9223 |
45 | ZRL | 0.9221 |
46 | F40 | 0.9213 |
47 | KLV | 0.9206 |
48 | 5AD | 0.9206 |
49 | CZ0 | 0.9205 |
50 | A73 | 0.9200 |
51 | 4CN | 0.9199 |
52 | 1V1 | 0.9197 |
53 | 20D | 0.9191 |
54 | 6TJ | 0.9187 |
55 | 5TY | 0.9183 |
56 | N0Z | 0.9182 |
57 | DFL | 0.9174 |
58 | 9JT | 0.9169 |
59 | NEU | 0.9168 |
60 | UAY | 0.9168 |
61 | WLH | 0.9164 |
62 | QIV | 0.9162 |
63 | 833 | 0.9160 |
64 | 6BK | 0.9157 |
65 | X2M | 0.9157 |
66 | GEN | 0.9153 |
67 | S0D | 0.9149 |
68 | Q0K | 0.9146 |
69 | 697 | 0.9143 |
70 | JWS | 0.9143 |
71 | 3D8 | 0.9139 |
72 | JTA | 0.9136 |
73 | ZHA | 0.9136 |
74 | 1EL | 0.9133 |
75 | WS7 | 0.9130 |
76 | 1V8 | 0.9124 |
77 | MR5 | 0.9121 |
78 | 3J8 | 0.9120 |
79 | GNV | 0.9117 |
80 | XCG | 0.9116 |
81 | 1XS | 0.9113 |
82 | 2D2 | 0.9111 |
83 | A5Q | 0.9110 |
84 | 4FF | 0.9104 |
85 | 9TF | 0.9102 |
86 | AN3 | 0.9100 |
87 | IA2 | 0.9100 |
88 | 8SK | 0.9099 |
89 | X48 | 0.9099 |
90 | WS6 | 0.9098 |
91 | 25F | 0.9097 |
92 | 4AU | 0.9097 |
93 | 47V | 0.9096 |
94 | 041 | 0.9094 |
95 | A63 | 0.9093 |
96 | 1YL | 0.9092 |
97 | DPT | 0.9090 |
98 | BMZ | 0.9085 |
99 | DXK | 0.9084 |
100 | K7H | 0.9081 |
101 | 272 | 0.9081 |
102 | VUP | 0.9081 |
103 | 08C | 0.9079 |
104 | CR4 | 0.9072 |
105 | BIO | 0.9070 |
106 | 6ZW | 0.9069 |
107 | 1V3 | 0.9064 |
108 | BIK | 0.9064 |
109 | 3D1 | 0.9060 |
110 | PIQ | 0.9058 |
111 | 3Y7 | 0.9056 |
112 | 18E | 0.9055 |
113 | DT7 | 0.9054 |
114 | 2PV | 0.9052 |
115 | 62D | 0.9051 |
116 | 5VU | 0.9050 |
117 | XYP XYP | 0.9050 |
118 | LR8 | 0.9050 |
119 | 3QV | 0.9049 |
120 | 78Y | 0.9049 |
121 | 397 | 0.9046 |
122 | TMG | 0.9044 |
123 | 3VX | 0.9043 |
124 | HNT | 0.9043 |
125 | 7AP | 0.9042 |
126 | LOT | 0.9041 |
127 | 0FR | 0.9040 |
128 | 8M5 | 0.9040 |
129 | NDD | 0.9039 |
130 | 1V4 | 0.9036 |
131 | YE7 | 0.9029 |
132 | 6ZE | 0.9029 |
133 | 4GU | 0.9028 |
134 | P4L | 0.9026 |
135 | 4AB | 0.9026 |
136 | 121 | 0.9026 |
137 | DX2 | 0.9026 |
138 | N91 | 0.9023 |
139 | SZ5 | 0.9020 |
140 | THA | 0.9019 |
141 | Y3L | 0.9017 |
142 | P4T | 0.9016 |
143 | M3F | 0.9015 |
144 | 57D | 0.9015 |
145 | MUK | 0.9014 |
146 | FF2 | 0.9013 |
147 | NEO | 0.9011 |
148 | 38E | 0.9010 |
149 | 5V7 | 0.9010 |
150 | 2PK | 0.9008 |
151 | X0U | 0.9008 |
152 | E1K | 0.9007 |
153 | TCR | 0.9006 |
154 | AP6 | 0.9005 |
155 | 97K | 0.9005 |
156 | AJG | 0.9001 |
157 | LR2 | 0.8999 |
158 | ANF | 0.8995 |
159 | 5NN | 0.8993 |
160 | 68A | 0.8992 |
161 | BHS | 0.8991 |
162 | 120 | 0.8990 |
163 | FHV | 0.8989 |
164 | H32 | 0.8988 |
165 | BP7 | 0.8988 |
166 | HHS | 0.8983 |
167 | A05 | 0.8982 |
168 | A5H | 0.8980 |
169 | 801 | 0.8980 |
170 | TXQ | 0.8978 |
171 | Z21 | 0.8972 |
172 | H70 | 0.8970 |
173 | 124 | 0.8970 |
174 | EQU | 0.8969 |
175 | G2V | 0.8968 |
176 | 3F4 | 0.8966 |
177 | 4ZF | 0.8965 |
178 | HBI | 0.8963 |
179 | BPY | 0.8962 |
180 | WUB | 0.8960 |
181 | IQZ | 0.8960 |
182 | JP2 | 0.8958 |
183 | 5OR | 0.8957 |
184 | AA | 0.8956 |
185 | F18 | 0.8955 |
186 | U13 | 0.8953 |
187 | 2K8 | 0.8953 |
188 | 19E | 0.8949 |
189 | J3Z | 0.8949 |
190 | LL1 | 0.8948 |
191 | 3VQ | 0.8948 |
192 | RHN | 0.8948 |
193 | CUE | 0.8945 |
194 | EST | 0.8945 |
195 | H2B | 0.8941 |
196 | AGI | 0.8941 |
197 | J1K | 0.8936 |
198 | BBY | 0.8936 |
199 | 3R4 | 0.8936 |
200 | 3GX | 0.8933 |
201 | IXM | 0.8928 |
202 | 4HG | 0.8926 |
203 | VC3 | 0.8926 |
204 | HH6 | 0.8925 |
205 | 338 | 0.8922 |
206 | 2GQ | 0.8921 |
207 | JCZ | 0.8920 |
208 | 3VS | 0.8919 |
209 | GNM | 0.8919 |
210 | IIH | 0.8918 |
211 | AVX | 0.8918 |
212 | 6P3 | 0.8918 |
213 | 8HH | 0.8916 |
214 | 1UZ | 0.8913 |
215 | 4UM | 0.8911 |
216 | C4E | 0.8911 |
217 | EES | 0.8910 |
218 | 1FL | 0.8909 |
219 | 27F | 0.8908 |
220 | 39Z | 0.8906 |
221 | ZTW | 0.8903 |
222 | 7FZ | 0.8900 |
223 | B21 | 0.8898 |
224 | 4BL | 0.8894 |
225 | 3L1 | 0.8894 |
226 | E3X | 0.8893 |
227 | 6H2 | 0.8893 |
228 | YZ9 | 0.8893 |
229 | 363 | 0.8893 |
230 | 5XL | 0.8892 |
231 | 26C | 0.8892 |
232 | 5SJ | 0.8891 |
233 | 4BY | 0.8890 |
234 | AO | 0.8887 |
235 | 5E1 | 0.8887 |
236 | XYS XYP | 0.8883 |
237 | 122 | 0.8883 |
238 | 1UT | 0.8882 |
239 | M3W | 0.8879 |
240 | 2P3 | 0.8879 |
241 | 8G6 | 0.8877 |
242 | 6DQ | 0.8876 |
243 | 5GV | 0.8876 |
244 | FYR | 0.8874 |
245 | 7G2 | 0.8872 |
246 | BRY | 0.8872 |
247 | 2JX | 0.8871 |
248 | YE6 | 0.8870 |
249 | CDJ | 0.8869 |
250 | BZE | 0.8868 |
251 | AH6 | 0.8867 |
252 | V1T | 0.8866 |
253 | 245 | 0.8864 |
254 | 1V0 | 0.8863 |
255 | BZJ | 0.8863 |
256 | MBT | 0.8861 |
257 | GNG | 0.8860 |
258 | RDT | 0.8859 |
259 | 3ZB | 0.8859 |
260 | 4HB | 0.8858 |
261 | LU2 | 0.8857 |
262 | 3WL | 0.8853 |
263 | H2W | 0.8852 |
264 | W8L | 0.8850 |
265 | IDD | 0.8849 |
266 | MHB | 0.8848 |
267 | CHQ | 0.8846 |
268 | B61 | 0.8845 |
269 | XYS XYS | 0.8845 |
270 | E9L | 0.8843 |
271 | JY4 | 0.8843 |
272 | A6W | 0.8842 |
273 | 549 | 0.8841 |
274 | 4G2 | 0.8840 |
275 | NIF | 0.8840 |
276 | 3Q0 | 0.8840 |
277 | GNY | 0.8834 |
278 | OCZ | 0.8831 |
279 | D9Z | 0.8825 |
280 | WV7 | 0.8823 |
281 | 537 | 0.8823 |
282 | T21 | 0.8822 |
283 | M83 | 0.8820 |
284 | 1UR | 0.8817 |
285 | OUA | 0.8817 |
286 | MFR | 0.8817 |
287 | 8NX | 0.8816 |
288 | A51 | 0.8814 |
289 | U14 | 0.8813 |
290 | UNJ | 0.8810 |
291 | X11 | 0.8810 |
292 | DRG | 0.8809 |
293 | QUE | 0.8809 |
294 | AJY | 0.8807 |
295 | F2W | 0.8805 |
296 | 2QV | 0.8805 |
297 | NAR | 0.8801 |
298 | FZM | 0.8800 |
299 | WG8 | 0.8800 |
300 | OA4 | 0.8800 |
301 | 1FE | 0.8797 |
302 | XTS | 0.8795 |
303 | 113 | 0.8794 |
304 | PE2 | 0.8794 |
305 | TID | 0.8790 |
306 | K44 | 0.8790 |
307 | NAG | 0.8790 |
308 | 6FX | 0.8788 |
309 | FNT | 0.8788 |
310 | 5F8 | 0.8786 |
311 | 91F | 0.8786 |
312 | JG8 | 0.8785 |
313 | F02 | 0.8783 |
314 | OUG | 0.8783 |
315 | AOY | 0.8782 |
316 | 5BX | 0.8780 |
317 | DT9 | 0.8780 |
318 | A9B | 0.8780 |
319 | 1ZC | 0.8779 |
320 | A8D | 0.8776 |
321 | 0DF | 0.8775 |
322 | LIG | 0.8771 |
323 | IQ5 | 0.8771 |
324 | UN9 | 0.8770 |
325 | 2MQ | 0.8767 |
326 | ODK | 0.8767 |
327 | RSV | 0.8766 |
328 | A64 | 0.8765 |
329 | 5SD | 0.8765 |
330 | TIY | 0.8763 |
331 | KF5 | 0.8762 |
332 | 6VW | 0.8760 |
333 | THM | 0.8758 |
334 | 4I8 | 0.8756 |
335 | 7EH | 0.8755 |
336 | 3MI | 0.8755 |
337 | NOM | 0.8755 |
338 | FER | 0.8755 |
339 | 7FU | 0.8752 |
340 | 1QV | 0.8750 |
341 | CK2 | 0.8749 |
342 | O9T | 0.8748 |
343 | MXD | 0.8747 |
344 | VT3 | 0.8745 |
345 | ZZA | 0.8744 |
346 | WSD | 0.8743 |
347 | 8D6 | 0.8742 |
348 | DHT | 0.8741 |
349 | 5ER | 0.8740 |
350 | EAE | 0.8740 |
351 | KMY | 0.8740 |
352 | BA5 | 0.8739 |
353 | 802 | 0.8738 |
354 | FSE | 0.8738 |
355 | ADL | 0.8736 |
356 | 1HN | 0.8734 |
357 | JMG | 0.8733 |
358 | K3D | 0.8731 |
359 | ZEA | 0.8730 |
360 | 6JM | 0.8727 |
361 | 92O | 0.8725 |
362 | SQM | 0.8723 |
363 | LC1 | 0.8723 |
364 | AZN | 0.8722 |
365 | 3JC | 0.8722 |
366 | GJP | 0.8721 |
367 | LI7 | 0.8720 |
368 | 0LA | 0.8719 |
369 | GNJ | 0.8719 |
370 | L22 | 0.8719 |
371 | ZEC | 0.8718 |
372 | 4RU | 0.8717 |
373 | WA1 | 0.8716 |
374 | PH2 | 0.8716 |
375 | HFT | 0.8715 |
376 | 2J2 | 0.8714 |
377 | 9UL | 0.8712 |
378 | AMR | 0.8712 |
379 | 9KZ | 0.8711 |
380 | NU3 | 0.8710 |
381 | 244 | 0.8709 |
382 | AQN | 0.8706 |
383 | HWB | 0.8706 |
384 | ASD | 0.8703 |
385 | ESZ | 0.8701 |
386 | PK3 | 0.8700 |
387 | JAH | 0.8699 |
388 | V2Z | 0.8697 |
389 | F36 | 0.8696 |
390 | BBP | 0.8695 |
391 | HC8 | 0.8695 |
392 | K25 | 0.8690 |
393 | 5E2 | 0.8689 |
394 | KLS | 0.8688 |
395 | 907 | 0.8684 |
396 | 5WW | 0.8681 |
397 | JGB | 0.8680 |
398 | U19 | 0.8680 |
399 | 5S9 | 0.8679 |
400 | GWD | 0.8679 |
401 | M78 | 0.8678 |
402 | SDN | 0.8677 |
403 | GVY | 0.8677 |
404 | 79X | 0.8676 |
405 | 17M | 0.8675 |
406 | ZYQ | 0.8672 |
407 | TES | 0.8672 |
408 | QBP | 0.8671 |
409 | CL9 | 0.8670 |
410 | 6L6 | 0.8670 |
411 | HBO | 0.8670 |
412 | GVI | 0.8669 |
413 | 2JK | 0.8668 |
414 | B1J | 0.8667 |
415 | 5TZ | 0.8665 |
416 | KYN | 0.8664 |
417 | 4V2 | 0.8663 |
418 | MT6 | 0.8658 |
419 | 8V8 | 0.8655 |
420 | 9OF | 0.8655 |
421 | N2M | 0.8654 |
422 | XM5 | 0.8654 |
423 | QUG | 0.8650 |
424 | BPU | 0.8650 |
425 | 334 | 0.8648 |
426 | EZL | 0.8648 |
427 | AH9 | 0.8647 |
428 | 8MO | 0.8646 |
429 | GLC GAL | 0.8646 |
430 | L03 | 0.8645 |
431 | B56 | 0.8644 |
432 | RKV | 0.8642 |
433 | ENO | 0.8640 |
434 | GO2 | 0.8640 |
435 | KU1 | 0.8632 |
436 | GJK | 0.8627 |
437 | JBZ | 0.8626 |
438 | 2FX | 0.8623 |
439 | 8NB | 0.8623 |
440 | Q9T | 0.8622 |
441 | 609 | 0.8621 |
442 | 0LO | 0.8620 |
443 | 54X | 0.8620 |
444 | 2PW | 0.8619 |
445 | KMP | 0.8617 |
446 | EN1 | 0.8616 |
447 | 5GT | 0.8616 |
448 | FT2 | 0.8614 |
449 | P9I | 0.8614 |
450 | F5C | 0.8612 |
451 | ESL | 0.8610 |
452 | IK1 | 0.8610 |
453 | 6QT | 0.8609 |
454 | 28B | 0.8609 |
455 | E6Q | 0.8604 |
456 | BMA BMA | 0.8603 |
457 | AOX | 0.8600 |
458 | ESJ | 0.8600 |
459 | 6KT | 0.8598 |
460 | DX8 | 0.8596 |
461 | 4FE | 0.8594 |
462 | ZIP | 0.8590 |
463 | ZYR | 0.8590 |
464 | E1T | 0.8587 |
465 | J38 | 0.8576 |
466 | 6JO | 0.8574 |
467 | MNY | 0.8571 |
468 | 1AJ | 0.8570 |
469 | AOM | 0.8570 |
470 | 15E | 0.8565 |
471 | MD6 | 0.8563 |
472 | TR4 | 0.8560 |
473 | DBQ | 0.8560 |
474 | 9CA | 0.8555 |
475 | ADN | 0.8554 |
476 | 2QC | 0.8552 |
477 | 1IT | 0.8547 |
478 | XI7 | 0.8545 |
479 | ESR | 0.8542 |
480 | 0FK | 0.8538 |
481 | MNX | 0.8532 |
482 | SGW | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 1s4m.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5A89 | FMN | 48.7179 |
2 | 5A89 | ADP | 48.7179 |
This union binding pocket(no: 2) in the query (biounit: 1s4m.bio2) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |