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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 1 families. | |||||
1 | 1KKR | - | 2AS | C5 H9 N O4 | C[C@H]([C].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1KKR | - | 2AS | C5 H9 N O4 | C[C@H]([C].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2AS | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TAR | 1.0000 |
2 | HIO | 0.9860 |
3 | AHB | 0.9784 |
4 | SRT | 0.9676 |
5 | THE | 0.9639 |
6 | ASP | 0.9622 |
7 | ASN | 0.9601 |
8 | LMR | 0.9599 |
9 | MLT | 0.9527 |
10 | OAA | 0.9515 |
11 | 2IT | 0.9505 |
12 | DGL | 0.9505 |
13 | IOM | 0.9486 |
14 | VAH | 0.9453 |
15 | XUL | 0.9434 |
16 | QY9 | 0.9430 |
17 | GLN | 0.9409 |
18 | AKG | 0.9408 |
19 | GLU | 0.9401 |
20 | ITN | 0.9385 |
21 | TLA | 0.9385 |
22 | PEP | 0.9385 |
23 | DAL DAL | 0.9375 |
24 | XLS | 0.9354 |
25 | 5FX | 0.9348 |
26 | 2FT | 0.9345 |
27 | LEU | 0.9336 |
28 | SKJ | 0.9335 |
29 | CIZ | 0.9327 |
30 | OAF | 0.9322 |
31 | 2HG | 0.9318 |
32 | 8EZ | 0.9313 |
33 | JYD | 0.9309 |
34 | URQ | 0.9305 |
35 | SEJ | 0.9304 |
36 | QFH | 0.9297 |
37 | CRN | 0.9290 |
38 | CMS | 0.9285 |
39 | PGA | 0.9279 |
40 | SOL | 0.9274 |
41 | SOR | 0.9273 |
42 | DYA | 0.9272 |
43 | AC5 | 0.9270 |
44 | FUD | 0.9263 |
45 | SNE | 0.9260 |
46 | 2CO | 0.9252 |
47 | RBL | 0.9251 |
48 | RSO | 0.9237 |
49 | SD4 | 0.9232 |
50 | KPL | 0.9230 |
51 | XYL | 0.9229 |
52 | PAF | 0.9228 |
53 | R9S | 0.9227 |
54 | 7N0 | 0.9224 |
55 | 2RH | 0.9220 |
56 | 40E | 0.9218 |
57 | COI | 0.9217 |
58 | TMH | 0.9216 |
59 | SIN | 0.9214 |
60 | ILE | 0.9213 |
61 | AL0 | 0.9207 |
62 | 98J | 0.9200 |
63 | 9X7 | 0.9198 |
64 | UGC | 0.9188 |
65 | 6M4 | 0.9187 |
66 | GLO | 0.9185 |
67 | 449 | 0.9184 |
68 | IZC | 0.9184 |
69 | EHM | 0.9183 |
70 | 23W | 0.9179 |
71 | 9X6 | 0.9176 |
72 | 3SL | 0.9172 |
73 | UYA | 0.9158 |
74 | 0V5 | 0.9158 |
75 | HL5 | 0.9155 |
76 | GGL | 0.9153 |
77 | NXA | 0.9151 |
78 | TEO | 0.9148 |
79 | FUM | 0.9142 |
80 | 34V | 0.9140 |
81 | 3PG | 0.9140 |
82 | ORN | 0.9139 |
83 | PEQ | 0.9136 |
84 | 3LR | 0.9136 |
85 | DAS | 0.9135 |
86 | PZI | 0.9131 |
87 | 6JN | 0.9130 |
88 | HYP | 0.9129 |
89 | 9J3 | 0.9127 |
90 | HHA | 0.9126 |
91 | NLE | 0.9126 |
92 | PCA | 0.9125 |
93 | MET | 0.9123 |
94 | DCL | 0.9122 |
95 | RNT | 0.9120 |
96 | HZP | 0.9113 |
97 | PPR | 0.9110 |
98 | AHR | 0.9110 |
99 | GZ3 | 0.9108 |
100 | IFL | 0.9105 |
101 | 9YL | 0.9105 |
102 | SKG | 0.9097 |
103 | ONL | 0.9096 |
104 | HYA | 0.9095 |
105 | 3HG | 0.9094 |
106 | MTL | 0.9094 |
107 | RUJ | 0.9093 |
108 | PZA | 0.9093 |
109 | LPK | 0.9089 |
110 | RIP | 0.9087 |
111 | HSE | 0.9087 |
112 | QDK | 0.9083 |
113 | GUA | 0.9078 |
114 | 5DI | 0.9077 |
115 | HX2 | 0.9076 |
116 | THR | 0.9075 |
117 | 3BU | 0.9074 |
118 | AC6 | 0.9074 |
119 | FA1 | 0.9073 |
120 | DAB | 0.9069 |
121 | VAL | 0.9069 |
122 | DMV | 0.9067 |
123 | 6PC | 0.9067 |
124 | X1S | 0.9066 |
125 | MRY | 0.9066 |
126 | LDU | 0.9066 |
127 | ALA ALA | 0.9061 |
128 | MLE | 0.9059 |
129 | 1DQ | 0.9058 |
130 | CXF | 0.9058 |
131 | PBC | 0.9056 |
132 | IXW | 0.9055 |
133 | NVA | 0.9055 |
134 | SJ5 | 0.9055 |
135 | DTL | 0.9054 |
136 | MEV | 0.9053 |
137 | BHO | 0.9052 |
138 | YCP | 0.9051 |
139 | BNS | 0.9050 |
140 | DPF | 0.9050 |
141 | PAC | 0.9049 |
142 | ROR | 0.9048 |
143 | IFM | 0.9046 |
144 | RB0 | 0.9045 |
145 | RB5 | 0.9045 |
146 | IP0 | 0.9044 |
147 | BEZ | 0.9043 |
148 | JZ5 | 0.9042 |
149 | 51F | 0.9042 |
150 | ISZ | 0.9040 |
151 | GLY GLY | 0.9040 |
152 | KIV | 0.9038 |
153 | BEN | 0.9037 |
154 | 3SY | 0.9037 |
155 | SMN | 0.9036 |
156 | VNJ | 0.9035 |
157 | UY7 | 0.9033 |
158 | 3MF | 0.9032 |
159 | PRO | 0.9030 |
160 | I2M | 0.9030 |
161 | 13P | 0.9029 |
162 | SS2 | 0.9027 |
163 | 9RW | 0.9026 |
164 | HY1 | 0.9026 |
165 | GIF | 0.9025 |
166 | AGK | 0.9025 |
167 | F9P | 0.9024 |
168 | GLL | 0.9024 |
169 | NIO | 0.9023 |
170 | 3PP | 0.9023 |
171 | RUU | 0.9022 |
172 | BAM | 0.9021 |
173 | PMB | 0.9020 |
174 | FUF | 0.9018 |
175 | M4T | 0.9018 |
176 | 4MV | 0.9017 |
177 | NMG | 0.9016 |
178 | PAE | 0.9015 |
179 | SHF | 0.9014 |
180 | 5RG | 0.9013 |
181 | MED | 0.9013 |
182 | DHS | 0.9012 |
183 | R67 | 0.9012 |
184 | 3OC | 0.9011 |
185 | NTN | 0.9009 |
186 | NPO | 0.9007 |
187 | NCA | 0.9007 |
188 | 69O | 0.9006 |
189 | MUC | 0.9005 |
190 | 1P3 | 0.9005 |
191 | WTZ | 0.9005 |
192 | SS1 | 0.9003 |
193 | MAE | 0.9002 |
194 | TFB | 0.9001 |
195 | 23B | 0.9001 |
196 | SPV | 0.8999 |
197 | XM0 | 0.8999 |
198 | R9M | 0.8996 |
199 | ICF | 0.8995 |
200 | F05 | 0.8994 |
201 | OXZ | 0.8992 |
202 | FQI | 0.8990 |
203 | SAL | 0.8990 |
204 | PHB | 0.8986 |
205 | UNU | 0.8986 |
206 | MRZ | 0.8986 |
207 | RAT | 0.8985 |
208 | 8EW | 0.8985 |
209 | 717 | 0.8985 |
210 | PSJ | 0.8983 |
211 | FLA | 0.8981 |
212 | 8OZ | 0.8981 |
213 | EDG | 0.8980 |
214 | ARB | 0.8977 |
215 | 1DV | 0.8976 |
216 | 271 | 0.8974 |
217 | 7WG | 0.8973 |
218 | RMN | 0.8972 |
219 | 5AC | 0.8971 |
220 | BE2 | 0.8970 |
221 | SEP | 0.8970 |
222 | K6H | 0.8969 |
223 | KMT | 0.8968 |
224 | NBZ | 0.8968 |
225 | IQ0 | 0.8968 |
226 | FBJ | 0.8967 |
227 | LFC | 0.8967 |
228 | 7A8 | 0.8967 |
229 | GG6 | 0.8965 |
230 | GRO | 0.8964 |
231 | LER | 0.8963 |
232 | JZ7 | 0.8963 |
233 | N6C | 0.8961 |
234 | AOS | 0.8961 |
235 | KMH | 0.8960 |
236 | 173 | 0.8956 |
237 | FB2 | 0.8956 |
238 | HDH | 0.8955 |
239 | 2LP | 0.8952 |
240 | RNS | 0.8952 |
241 | FEH | 0.8951 |
242 | 4CS | 0.8950 |
243 | HIS | 0.8950 |
244 | VGL | 0.8949 |
245 | FPY | 0.8948 |
246 | 192 | 0.8946 |
247 | IT2 | 0.8943 |
248 | 6LW | 0.8942 |
249 | NK2 | 0.8940 |
250 | MAN | 0.8939 |
251 | 4XR | 0.8939 |
252 | 3U4 | 0.8938 |
253 | PAH | 0.8937 |
254 | URS | 0.8937 |
255 | FB1 | 0.8936 |
256 | AKB | 0.8932 |
257 | RHU | 0.8931 |
258 | TAG | 0.8930 |
259 | QSC | 0.8929 |
260 | GAG | 0.8927 |
261 | 2PG | 0.8926 |
262 | XSP | 0.8926 |
263 | DMJ | 0.8925 |
264 | LRH | 0.8925 |
265 | HDA | 0.8924 |
266 | 2PC | 0.8922 |
267 | DFB | 0.8922 |
268 | URP | 0.8921 |
269 | M58 | 0.8920 |
270 | HCS | 0.8920 |
271 | I1E | 0.8919 |
272 | AFR | 0.8918 |
273 | 5HY | 0.8917 |
274 | 2AL | 0.8917 |
275 | 1DU | 0.8917 |
276 | SPA | 0.8916 |
277 | GP9 | 0.8913 |
278 | CFI | 0.8913 |
279 | PLU | 0.8912 |
280 | PEL | 0.8912 |
281 | 3NT | 0.8911 |
282 | FBM | 0.8910 |
283 | NIZ | 0.8910 |
284 | NOJ | 0.8910 |
285 | T2C | 0.8909 |
286 | MAH | 0.8908 |
287 | PAB | 0.8908 |
288 | JKE | 0.8907 |
289 | AG2 | 0.8907 |
290 | FSG | 0.8906 |
291 | 8GC | 0.8902 |
292 | GAB | 0.8902 |
293 | 1CO | 0.8900 |
294 | TZE | 0.8900 |
295 | 1SP | 0.8899 |
296 | GLC | 0.8898 |
297 | PEA | 0.8897 |
298 | FBV | 0.8894 |
299 | MZW | 0.8891 |
300 | BP9 | 0.8891 |
301 | 1WD | 0.8890 |
302 | IHG | 0.8889 |
303 | 3V4 | 0.8889 |
304 | ES6 | 0.8889 |
305 | 1AB | 0.8889 |
306 | DHB | 0.8888 |
307 | YHO | 0.8888 |
308 | 4FA | 0.8887 |
309 | OEM | 0.8887 |
310 | SC2 | 0.8886 |
311 | AC0 | 0.8886 |
312 | 51R | 0.8884 |
313 | PPV | 0.8884 |
314 | MSE | 0.8882 |
315 | SMV | 0.8882 |
316 | BCU | 0.8880 |
317 | SYC | 0.8880 |
318 | G3H | 0.8880 |
319 | G3P | 0.8880 |
320 | ARW | 0.8879 |
321 | P72 | 0.8879 |
322 | 1Y6 | 0.8879 |
323 | 53C | 0.8879 |
324 | LNO | 0.8879 |
325 | GYE | 0.8878 |
326 | NCT | 0.8878 |
327 | I3A | 0.8877 |
328 | ALO | 0.8877 |
329 | 41K | 0.8877 |
330 | 1GP | 0.8877 |
331 | KOJ | 0.8874 |
332 | TSU | 0.8873 |
333 | GAL | 0.8872 |
334 | MXN | 0.8871 |
335 | J9T | 0.8870 |
336 | MYJ | 0.8869 |
337 | 1SA | 0.8869 |
338 | PGH | 0.8866 |
339 | 273 | 0.8866 |
340 | HBA | 0.8866 |
341 | S0H | 0.8865 |
342 | ZBT | 0.8865 |
343 | TZL | 0.8865 |
344 | OVV | 0.8863 |
345 | 3HB | 0.8862 |
346 | TIU | 0.8862 |
347 | HSO | 0.8861 |
348 | 24B | 0.8858 |
349 | CP | 0.8857 |
350 | 7VD | 0.8853 |
351 | ASC | 0.8853 |
352 | LLQ | 0.8853 |
353 | 911 | 0.8853 |
354 | DQA | 0.8852 |
355 | ACH | 0.8851 |
356 | BGC | 0.8851 |
357 | ZXD | 0.8850 |
358 | C21 | 0.8849 |
359 | 1LN | 0.8849 |
360 | 93K | 0.8849 |
361 | 23J | 0.8844 |
362 | 0OC | 0.8841 |
363 | 2TQ | 0.8840 |
364 | 3AB | 0.8840 |
365 | I4B | 0.8839 |
366 | P9P | 0.8839 |
367 | FCR | 0.8838 |
368 | FUB | 0.8835 |
369 | SYM | 0.8834 |
370 | MPD | 0.8833 |
371 | 54G | 0.8833 |
372 | M6W | 0.8829 |
373 | KDF | 0.8828 |
374 | DGJ | 0.8828 |
375 | FOA | 0.8828 |
376 | BZX | 0.8828 |
377 | 54D | 0.8826 |
378 | MNN | 0.8826 |
379 | PBZ | 0.8825 |
380 | GCO | 0.8824 |
381 | GBN | 0.8823 |
382 | OK7 | 0.8823 |
383 | GZL | 0.8822 |
384 | JBN | 0.8822 |
385 | K34 | 0.8822 |
386 | XBT | 0.8821 |
387 | HY3 | 0.8820 |
388 | KTA | 0.8820 |
389 | GJZ | 0.8817 |
390 | PBE | 0.8816 |
391 | FBA | 0.8816 |
392 | G2H | 0.8816 |
393 | G8M | 0.8815 |
394 | PCT | 0.8814 |
395 | TP5 | 0.8812 |
396 | PRS | 0.8812 |
397 | 6AI | 0.8810 |
398 | 60P | 0.8810 |
399 | BE7 | 0.8809 |
400 | MEQ | 0.8808 |
401 | 9SE | 0.8808 |
402 | FYU | 0.8808 |
403 | INO | 0.8807 |
404 | 92K | 0.8807 |
405 | 4SV | 0.8806 |
406 | RBJ | 0.8806 |
407 | FA3 | 0.8805 |
408 | Q07 | 0.8804 |
409 | OXQ | 0.8804 |
410 | JZ4 | 0.8804 |
411 | 5M0 | 0.8803 |
412 | OGA | 0.8803 |
413 | R1X | 0.8803 |
414 | 1DJ | 0.8803 |
415 | 2K4 | 0.8803 |
416 | SF6 | 0.8801 |
417 | DYT | 0.8800 |
418 | GTQ | 0.8798 |
419 | T9G | 0.8796 |
420 | HBD | 0.8796 |
421 | N4B | 0.8795 |
422 | BDF | 0.8794 |
423 | NK | 0.8793 |
424 | 286 | 0.8792 |
425 | DBH | 0.8792 |
426 | OHG | 0.8792 |
427 | DII | 0.8791 |
428 | DBX | 0.8791 |
429 | ICB | 0.8790 |
430 | XRG | 0.8790 |
431 | TZC | 0.8790 |
432 | 6NA | 0.8789 |
433 | 3SK | 0.8788 |
434 | H76 | 0.8788 |
435 | F60 | 0.8787 |
436 | CEE | 0.8785 |
437 | DTU | 0.8785 |
438 | 5HN | 0.8784 |
439 | ABN | 0.8782 |
440 | BNF | 0.8781 |
441 | R2B | 0.8781 |
442 | DXX | 0.8781 |
443 | TPA | 0.8779 |
444 | 14J | 0.8779 |
445 | BDP | 0.8777 |
446 | 14O | 0.8776 |
447 | IMR | 0.8774 |
448 | K7M | 0.8773 |
449 | OTR | 0.8773 |
450 | GBD | 0.8773 |
451 | FAN | 0.8773 |
452 | KVP | 0.8771 |
453 | 5H1 | 0.8771 |
454 | AEG | 0.8771 |
455 | SYN | 0.8770 |
456 | 3YP | 0.8769 |
457 | 6CS | 0.8767 |
458 | 4VP | 0.8766 |
459 | QSB | 0.8764 |
460 | MZT | 0.8763 |
461 | WCE | 0.8763 |
462 | ASO | 0.8762 |
463 | 4JL | 0.8761 |
464 | MAK | 0.8761 |
465 | G2F | 0.8760 |
466 | CN0 | 0.8760 |
467 | RM1 | 0.8759 |
468 | C2A | 0.8759 |
469 | APG | 0.8759 |
470 | SOE | 0.8758 |
471 | POP | 0.8757 |
472 | FBW | 0.8756 |
473 | MLI | 0.8755 |
474 | HSM | 0.8755 |
475 | APY | 0.8754 |
476 | PYJ | 0.8754 |
477 | H95 | 0.8753 |
478 | Z6J | 0.8753 |
479 | ODV | 0.8751 |
480 | 9TY | 0.8751 |
481 | SAN | 0.8751 |
482 | IF7 | 0.8750 |
483 | 4MA | 0.8749 |
484 | HBX | 0.8749 |
485 | 3BZ | 0.8749 |
486 | IT9 | 0.8748 |
487 | TB6 | 0.8748 |
488 | A09 | 0.8745 |
489 | 5MI | 0.8745 |
490 | AMH | 0.8743 |
491 | 5NU | 0.8742 |
492 | LCN | 0.8741 |
493 | FPI | 0.8741 |
494 | FAC | 0.8740 |
495 | SAT | 0.8737 |
496 | Z82 | 0.8736 |
497 | 2XX | 0.8735 |
498 | 9TZ | 0.8734 |
499 | CIT | 0.8733 |
500 | 4P5 | 0.8733 |
501 | PHU | 0.8732 |
502 | DS0 | 0.8732 |
503 | ABU | 0.8731 |
504 | BZ3 | 0.8731 |
505 | CSS | 0.8731 |
506 | 3HA | 0.8730 |
507 | LFR | 0.8729 |
508 | 7WV | 0.8727 |
509 | AMC | 0.8726 |
510 | B24 | 0.8725 |
511 | JZ9 | 0.8725 |
512 | DOB | 0.8724 |
513 | BSX | 0.8723 |
514 | MLA | 0.8722 |
515 | SKM | 0.8722 |
516 | 4NC | 0.8718 |
517 | HHH | 0.8716 |
518 | HCI | 0.8715 |
519 | 282 | 0.8714 |
520 | LEA | 0.8712 |
521 | 9TW | 0.8712 |
522 | XCZ | 0.8711 |
523 | 5XB | 0.8710 |
524 | A3M | 0.8709 |
525 | PYC | 0.8704 |
526 | 3FH | 0.8704 |
527 | 3M0 | 0.8701 |
528 | ICN | 0.8701 |
529 | IPM | 0.8697 |
530 | SHA | 0.8696 |
531 | PRZ | 0.8694 |
532 | SER | 0.8694 |
533 | OPE | 0.8694 |
534 | 3R9 | 0.8694 |
535 | FA0 | 0.8693 |
536 | NBE | 0.8693 |
537 | EYK | 0.8693 |
538 | C2B | 0.8692 |
539 | 5CU | 0.8692 |
540 | 3F0 | 0.8691 |
541 | 8K2 | 0.8690 |
542 | ISD | 0.8689 |
543 | BHA | 0.8686 |
544 | SW7 | 0.8686 |
545 | HMS | 0.8685 |
546 | EKZ | 0.8682 |
547 | PMF | 0.8682 |
548 | AH8 | 0.8681 |
549 | RIB | 0.8680 |
550 | HPS | 0.8679 |
551 | A3B | 0.8678 |
552 | 5OB | 0.8677 |
553 | SSN | 0.8672 |
554 | NK1 | 0.8669 |
555 | QIC | 0.8669 |
556 | IFP | 0.8667 |
557 | NMJ | 0.8666 |
558 | B3U | 0.8665 |
559 | PKU | 0.8661 |
560 | 4M0 | 0.8658 |
561 | 4RW | 0.8658 |
562 | X0V | 0.8657 |
563 | 4NG | 0.8656 |
564 | 5NI | 0.8655 |
565 | 9CL | 0.8655 |
566 | NOY | 0.8655 |
567 | IPB | 0.8654 |
568 | DQY | 0.8654 |
569 | 9EW | 0.8653 |
570 | 152 | 0.8652 |
571 | 8S0 | 0.8651 |
572 | 4HP | 0.8650 |
573 | JLZ | 0.8649 |
574 | 6M9 | 0.8648 |
575 | 826 | 0.8647 |
576 | 2HO | 0.8647 |
577 | 069 | 0.8644 |
578 | ZZT | 0.8642 |
579 | FLC | 0.8641 |
580 | G4D | 0.8640 |
581 | H62 | 0.8639 |
582 | SX1 | 0.8639 |
583 | HMH | 0.8637 |
584 | DPR | 0.8635 |
585 | HMU | 0.8635 |
586 | 2CL | 0.8633 |
587 | AX7 | 0.8633 |
588 | 5MK | 0.8628 |
589 | XX2 | 0.8626 |
590 | K5W | 0.8625 |
591 | FBS | 0.8624 |
592 | OHP | 0.8622 |
593 | WOT | 0.8620 |
594 | 2DR | 0.8619 |
595 | 3C4 | 0.8618 |
596 | TYL | 0.8616 |
597 | NNO | 0.8614 |
598 | 32O | 0.8614 |
599 | GLF | 0.8612 |
600 | 1DW | 0.8611 |
601 | MR1 | 0.8608 |
602 | AAS | 0.8607 |
603 | FHB | 0.8597 |
604 | 4A3 | 0.8597 |
605 | 3HM | 0.8595 |
606 | DSN | 0.8594 |
607 | 4J8 | 0.8589 |
608 | 1F1 | 0.8588 |
609 | 2KT | 0.8588 |
610 | E7Z | 0.8587 |
611 | SYG | 0.8586 |
612 | 4JT | 0.8585 |
613 | 1AL | 0.8581 |
614 | C5J | 0.8580 |
615 | IND | 0.8572 |
616 | 0RW | 0.8572 |
617 | 1P8 | 0.8572 |
618 | 2MH | 0.8567 |
619 | AI2 | 0.8563 |
620 | TH7 | 0.8560 |
621 | PIS | 0.8554 |
622 | GZQ | 0.8553 |
623 | DIG | 0.8548 |
624 | 9RH | 0.8547 |
625 | ADA | 0.8547 |
626 | 2ZM | 0.8546 |
627 | MLM | 0.8542 |
628 | 6NT | 0.8538 |
629 | LZ1 | 0.8530 |
630 | 3HP | 0.8522 |
This union binding pocket(no: 1) in the query (biounit: 1kkr.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1kkr.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |