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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 6 families. | |||||
1 | 2QQD | - | AG2 | C5 H14 N4 | C(CCNC(=N).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 2QQD | - | AG2 | C5 H14 N4 | C(CCNC(=N).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MHN | 1.0000 |
2 | KQY | 1.0000 |
3 | ACA | 0.9946 |
4 | SHV | 0.9940 |
5 | HPN | 0.9931 |
6 | N6C | 0.9822 |
7 | AE3 | 0.9778 |
8 | HZP | 0.9777 |
9 | 7C3 | 0.9747 |
10 | 98J | 0.9696 |
11 | LYN | 0.9693 |
12 | OYA | 0.9688 |
13 | OCT | 0.9650 |
14 | DLY | 0.9647 |
15 | LYS | 0.9647 |
16 | MLZ | 0.9624 |
17 | 650 | 0.9618 |
18 | 011 | 0.9613 |
19 | OC9 | 0.9602 |
20 | VKC | 0.9602 |
21 | HE4 | 0.9601 |
22 | OCA | 0.9590 |
23 | PG0 | 0.9584 |
24 | 16D | 0.9566 |
25 | 5XA | 0.9563 |
26 | NLE | 0.9558 |
27 | BHH | 0.9555 |
28 | SLZ | 0.9546 |
29 | 0L1 | 0.9535 |
30 | PG3 | 0.9535 |
31 | 9J3 | 0.9525 |
32 | BHL BHL | 0.9513 |
33 | BHL | 0.9513 |
34 | GLU | 0.9512 |
35 | 6NA | 0.9511 |
36 | HTX | 0.9504 |
37 | 2CO | 0.9504 |
38 | 3OL | 0.9483 |
39 | NF3 | 0.9469 |
40 | ONH | 0.9451 |
41 | NSD | 0.9448 |
42 | 0VT | 0.9442 |
43 | ORN | 0.9441 |
44 | OEG | 0.9441 |
45 | GUA | 0.9441 |
46 | AKG | 0.9439 |
47 | 6XA | 0.9436 |
48 | B3M | 0.9422 |
49 | DAV | 0.9419 |
50 | 7BC | 0.9408 |
51 | 3OM | 0.9408 |
52 | 49F | 0.9406 |
53 | AHN | 0.9390 |
54 | GLY GLY | 0.9389 |
55 | ENW | 0.9382 |
56 | URP | 0.9369 |
57 | NTU | 0.9369 |
58 | SIN | 0.9353 |
59 | SHO | 0.9351 |
60 | MLT | 0.9346 |
61 | OAA | 0.9341 |
62 | 7OD | 0.9340 |
63 | SKJ | 0.9340 |
64 | M1T | 0.9336 |
65 | MET | 0.9324 |
66 | ENV | 0.9315 |
67 | 4TB | 0.9300 |
68 | IXW | 0.9295 |
69 | OGA | 0.9286 |
70 | KMT | 0.9279 |
71 | OOG | 0.9278 |
72 | GRQ | 0.9278 |
73 | 6JN | 0.9277 |
74 | URQ | 0.9276 |
75 | PBN | 0.9274 |
76 | 3S5 | 0.9270 |
77 | DGN | 0.9267 |
78 | ASP | 0.9262 |
79 | TEG | 0.9262 |
80 | 1KA | 0.9262 |
81 | 3H2 | 0.9260 |
82 | HOC | 0.9256 |
83 | 8EW | 0.9255 |
84 | MEQ | 0.9254 |
85 | HE2 | 0.9254 |
86 | 266 | 0.9242 |
87 | KMH | 0.9241 |
88 | Q9Z | 0.9241 |
89 | DQY | 0.9238 |
90 | DZA | 0.9237 |
91 | 7UC | 0.9223 |
92 | 9YT | 0.9222 |
93 | 3HG | 0.9221 |
94 | YIV | 0.9221 |
95 | GOJ | 0.9218 |
96 | LNO | 0.9213 |
97 | O45 | 0.9213 |
98 | GLN | 0.9212 |
99 | GPJ | 0.9211 |
100 | O8Y | 0.9208 |
101 | EOU | 0.9205 |
102 | CCU | 0.9199 |
103 | CCE | 0.9198 |
104 | ARG | 0.9195 |
105 | NWH | 0.9192 |
106 | ODI | 0.9192 |
107 | HSO | 0.9192 |
108 | NMH | 0.9190 |
109 | XLS | 0.9188 |
110 | 2IT | 0.9187 |
111 | SSB | 0.9183 |
112 | TAR | 0.9182 |
113 | HL5 | 0.9181 |
114 | MPJ | 0.9181 |
115 | 64Z | 0.9181 |
116 | GPF | 0.9180 |
117 | MED | 0.9179 |
118 | DHM | 0.9177 |
119 | MSE | 0.9177 |
120 | ASN | 0.9176 |
121 | 8SZ | 0.9173 |
122 | HP6 | 0.9172 |
123 | S8V | 0.9170 |
124 | TLA | 0.9168 |
125 | RJY | 0.9166 |
126 | BNF | 0.9163 |
127 | 3YP | 0.9162 |
128 | DHI | 0.9162 |
129 | DGL | 0.9161 |
130 | FOM | 0.9160 |
131 | 1GP | 0.9158 |
132 | KPC | 0.9154 |
133 | AL0 | 0.9153 |
134 | LUQ | 0.9152 |
135 | UN1 | 0.9148 |
136 | PML | 0.9147 |
137 | 268 | 0.9143 |
138 | 11C | 0.9143 |
139 | 4LR | 0.9142 |
140 | URO | 0.9140 |
141 | OKG | 0.9128 |
142 | S2G | 0.9125 |
143 | 2HG | 0.9121 |
144 | VAL | 0.9120 |
145 | 258 | 0.9119 |
146 | I38 | 0.9119 |
147 | CHH | 0.9113 |
148 | LT1 | 0.9112 |
149 | FUM | 0.9110 |
150 | 1HS | 0.9109 |
151 | ZGL | 0.9108 |
152 | 9X6 | 0.9104 |
153 | DAR | 0.9103 |
154 | N4B | 0.9102 |
155 | ONL | 0.9100 |
156 | 2FM | 0.9098 |
157 | PRA | 0.9098 |
158 | LEU | 0.9097 |
159 | 152 | 0.9096 |
160 | 5FX | 0.9091 |
161 | SME | 0.9089 |
162 | BHU | 0.9084 |
163 | SD4 | 0.9083 |
164 | MHO | 0.9082 |
165 | LTL | 0.9079 |
166 | G3H | 0.9078 |
167 | MEV | 0.9076 |
168 | DE5 | 0.9074 |
169 | SHF | 0.9073 |
170 | R9M | 0.9073 |
171 | LMR | 0.9070 |
172 | AJ3 | 0.9069 |
173 | XYL | 0.9069 |
174 | IP8 | 0.9068 |
175 | HPL | 0.9067 |
176 | CCD | 0.9063 |
177 | NVA | 0.9063 |
178 | 13P | 0.9063 |
179 | CUW | 0.9063 |
180 | GGL | 0.9062 |
181 | 4MV | 0.9062 |
182 | DIR | 0.9059 |
183 | MAE | 0.9058 |
184 | SPD | 0.9058 |
185 | K6V | 0.9052 |
186 | HCS | 0.9051 |
187 | AT3 | 0.9047 |
188 | HGA | 0.9046 |
189 | XUL | 0.9044 |
190 | SRT | 0.9042 |
191 | 9ON | 0.9029 |
192 | GVM | 0.9028 |
193 | KDG | 0.9027 |
194 | 9GB | 0.9023 |
195 | COI | 0.9023 |
196 | PBA | 0.9020 |
197 | NYL | 0.9020 |
198 | 264 | 0.9020 |
199 | PGH | 0.9018 |
200 | FK8 | 0.9017 |
201 | G3P | 0.9014 |
202 | J0Z | 0.9012 |
203 | HIS | 0.9012 |
204 | QFJ | 0.9010 |
205 | PCA | 0.9005 |
206 | HYA | 0.9003 |
207 | TIU | 0.9002 |
208 | DIA | 0.9001 |
209 | DAB | 0.8999 |
210 | HBU | 0.8999 |
211 | A8C | 0.8998 |
212 | GP9 | 0.8997 |
213 | RTK | 0.8995 |
214 | HSE | 0.8995 |
215 | 7XA | 0.8992 |
216 | SOL | 0.8992 |
217 | HX2 | 0.8988 |
218 | X1R | 0.8985 |
219 | PGA | 0.8985 |
220 | TCA | 0.8984 |
221 | 269 | 0.8983 |
222 | NM2 | 0.8982 |
223 | AHB | 0.8978 |
224 | DLT | 0.8978 |
225 | B40 | 0.8975 |
226 | NM3 | 0.8974 |
227 | 3PG | 0.8973 |
228 | H95 | 0.8973 |
229 | 3SS | 0.8973 |
230 | CMS | 0.8973 |
231 | 1CO | 0.8969 |
232 | 8AC | 0.8967 |
233 | ITN | 0.8967 |
234 | 4SD | 0.8962 |
235 | GLY GLY GLY | 0.8962 |
236 | EHM | 0.8961 |
237 | RB5 | 0.8960 |
238 | D10 | 0.8957 |
239 | HHI | 0.8957 |
240 | THE | 0.8955 |
241 | FOC | 0.8954 |
242 | BPW | 0.8953 |
243 | HPO | 0.8951 |
244 | HMS | 0.8948 |
245 | CYX | 0.8948 |
246 | MPH | 0.8948 |
247 | PHE | 0.8947 |
248 | 3GZ | 0.8943 |
249 | TEO | 0.8943 |
250 | SEP | 0.8940 |
251 | MTL | 0.8939 |
252 | KNA | 0.8938 |
253 | NLP | 0.8938 |
254 | ALA ALA | 0.8937 |
255 | ACH | 0.8937 |
256 | MLY | 0.8936 |
257 | PEP | 0.8936 |
258 | PRO GLY | 0.8932 |
259 | J9N | 0.8932 |
260 | CXP | 0.8925 |
261 | N9J | 0.8925 |
262 | FXY | 0.8924 |
263 | PEA | 0.8924 |
264 | HYP | 0.8922 |
265 | HC4 | 0.8915 |
266 | P22 | 0.8914 |
267 | RBL | 0.8911 |
268 | SOR | 0.8911 |
269 | YPN | 0.8910 |
270 | 3QM | 0.8907 |
271 | NNH | 0.8907 |
272 | 2AS | 0.8907 |
273 | HSM | 0.8907 |
274 | OSE | 0.8903 |
275 | AEF | 0.8903 |
276 | 9X7 | 0.8903 |
277 | MAH | 0.8899 |
278 | K7M | 0.8896 |
279 | GGB | 0.8895 |
280 | 1X4 | 0.8894 |
281 | MNN | 0.8894 |
282 | HCI | 0.8893 |
283 | TIH | 0.8891 |
284 | QDK | 0.8891 |
285 | DII | 0.8890 |
286 | XIZ | 0.8890 |
287 | DKA | 0.8889 |
288 | CLT | 0.8889 |
289 | 492 | 0.8889 |
290 | 3LR | 0.8888 |
291 | CSS | 0.8886 |
292 | PC | 0.8881 |
293 | PPR | 0.8876 |
294 | DAL DAL | 0.8875 |
295 | 1DJ | 0.8873 |
296 | SYM | 0.8872 |
297 | OTR | 0.8871 |
298 | MXN | 0.8870 |
299 | 2RH | 0.8868 |
300 | PPY | 0.8865 |
301 | OHJ | 0.8864 |
302 | TYL | 0.8864 |
303 | ILO | 0.8862 |
304 | PAH | 0.8861 |
305 | E79 | 0.8860 |
306 | UGC | 0.8857 |
307 | 2FT | 0.8857 |
308 | LEA | 0.8854 |
309 | IWT | 0.8852 |
310 | RNS | 0.8848 |
311 | FQI | 0.8847 |
312 | SSN | 0.8846 |
313 | DHR | 0.8846 |
314 | SPA | 0.8845 |
315 | PO6 | 0.8845 |
316 | SPV | 0.8840 |
317 | GLY ALA | 0.8839 |
318 | M44 | 0.8837 |
319 | FAN | 0.8837 |
320 | BUB | 0.8831 |
321 | M45 | 0.8828 |
322 | MUC | 0.8827 |
323 | HDA | 0.8827 |
324 | ILE | 0.8826 |
325 | PLU | 0.8825 |
326 | FUD | 0.8824 |
327 | 5XC | 0.8824 |
328 | 1H1 | 0.8823 |
329 | MSL | 0.8822 |
330 | 5XB | 0.8822 |
331 | LPA | 0.8821 |
332 | DAS | 0.8818 |
333 | N8C | 0.8817 |
334 | ROR | 0.8816 |
335 | 4FA | 0.8815 |
336 | Q07 | 0.8814 |
337 | 7WG | 0.8813 |
338 | MES | 0.8812 |
339 | TYE | 0.8812 |
340 | GLO | 0.8812 |
341 | 8GL | 0.8810 |
342 | HL4 | 0.8810 |
343 | DPF | 0.8808 |
344 | HDH | 0.8806 |
345 | RUJ | 0.8804 |
346 | NMG | 0.8804 |
347 | XRG | 0.8802 |
348 | LVD | 0.8800 |
349 | NPI | 0.8796 |
350 | OK7 | 0.8796 |
351 | F4E | 0.8796 |
352 | QY9 | 0.8794 |
353 | ABU | 0.8794 |
354 | R67 | 0.8793 |
355 | FBJ | 0.8793 |
356 | HY1 | 0.8789 |
357 | 1SA | 0.8787 |
358 | TZL | 0.8786 |
359 | E4P | 0.8785 |
360 | PEL | 0.8785 |
361 | LDP | 0.8783 |
362 | HFA | 0.8781 |
363 | JYD | 0.8778 |
364 | 1N5 | 0.8774 |
365 | 58X | 0.8765 |
366 | 263 | 0.8762 |
367 | GJZ | 0.8761 |
368 | SSC | 0.8761 |
369 | M6H | 0.8761 |
370 | P81 | 0.8760 |
371 | CIR | 0.8759 |
372 | AMH | 0.8758 |
373 | 2JJ | 0.8758 |
374 | 129 | 0.8757 |
375 | EXY | 0.8753 |
376 | DYT | 0.8751 |
377 | YRL | 0.8746 |
378 | ZBT | 0.8745 |
379 | X1S | 0.8742 |
380 | PAC | 0.8742 |
381 | PKU | 0.8739 |
382 | 4HP | 0.8739 |
383 | DCL | 0.8738 |
384 | XBT | 0.8738 |
385 | I1E | 0.8737 |
386 | XOG | 0.8737 |
387 | 42J | 0.8737 |
388 | 4LW | 0.8736 |
389 | PH3 | 0.8735 |
390 | P80 | 0.8735 |
391 | NFA | 0.8734 |
392 | AEG | 0.8734 |
393 | 3HP | 0.8733 |
394 | M75 | 0.8731 |
395 | 1BN | 0.8731 |
396 | HPV | 0.8731 |
397 | MF3 | 0.8730 |
398 | 7MW | 0.8728 |
399 | MZT | 0.8727 |
400 | I2M | 0.8727 |
401 | M3P | 0.8726 |
402 | LER | 0.8722 |
403 | NXA | 0.8721 |
404 | RA7 | 0.8720 |
405 | HG3 | 0.8717 |
406 | 3PP | 0.8716 |
407 | DPN | 0.8711 |
408 | K34 | 0.8710 |
409 | TPA | 0.8708 |
410 | CFI | 0.8708 |
411 | AOS | 0.8707 |
412 | A3M | 0.8707 |
413 | M6W | 0.8706 |
414 | 3MB | 0.8700 |
415 | RNT | 0.8698 |
416 | 1L5 | 0.8698 |
417 | 54D | 0.8697 |
418 | FEH | 0.8695 |
419 | 9J6 | 0.8693 |
420 | BHO | 0.8693 |
421 | M4T | 0.8691 |
422 | TYR | 0.8689 |
423 | LSQ | 0.8688 |
424 | ISZ | 0.8683 |
425 | 271 | 0.8681 |
426 | NSB | 0.8676 |
427 | 4BZ | 0.8672 |
428 | PNZ | 0.8669 |
429 | 1SP | 0.8666 |
430 | S0W | 0.8664 |
431 | F9P | 0.8662 |
432 | CXF | 0.8662 |
433 | NIZ | 0.8662 |
434 | R20 | 0.8662 |
435 | IHG | 0.8660 |
436 | RNO | 0.8657 |
437 | ANN | 0.8656 |
438 | GLL | 0.8655 |
439 | 0NX | 0.8654 |
440 | HF2 | 0.8650 |
441 | HIC | 0.8646 |
442 | 14J | 0.8639 |
443 | 41K | 0.8639 |
444 | 3SL | 0.8635 |
445 | KTA | 0.8635 |
446 | GZ3 | 0.8634 |
447 | HQJ | 0.8634 |
448 | JZ7 | 0.8633 |
449 | PHU | 0.8632 |
450 | 7VP | 0.8632 |
451 | D3G | 0.8632 |
452 | 7O4 | 0.8628 |
453 | 795 | 0.8628 |
454 | PDC | 0.8628 |
455 | CEE | 0.8625 |
456 | 3BU | 0.8624 |
457 | SNO | 0.8622 |
458 | SGL | 0.8615 |
459 | 1DU | 0.8608 |
460 | J9T | 0.8607 |
461 | IPU | 0.8607 |
462 | 4LV | 0.8604 |
463 | FW5 | 0.8603 |
464 | 1PS | 0.8602 |
465 | AOT | 0.8602 |
466 | HX4 | 0.8600 |
467 | FBM | 0.8597 |
468 | BPN | 0.8596 |
469 | 2BX | 0.8589 |
470 | HPP | 0.8589 |
471 | LNR | 0.8586 |
472 | API | 0.8584 |
473 | TAG | 0.8577 |
474 | I4B | 0.8575 |
475 | OPE | 0.8572 |
476 | 5OB | 0.8566 |
477 | MVH | 0.8562 |
478 | OVM | 0.8560 |
479 | E5X | 0.8555 |
480 | AZM | 0.8554 |
481 | DXP | 0.8551 |
482 | 4NM | 0.8550 |
483 | 7A8 | 0.8549 |
484 | DHY | 0.8549 |
485 | BZ3 | 0.8541 |
486 | PIM | 0.8532 |
487 | 4TP | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 2qqd.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2qqd.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |