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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 271 families. | |||||
1 | 4O24 | - | 2Q0 | C14 H15 N O2 S2 | CC(C)CN1C(.... |
2 | 6ASC | - | BU7 | C14 H15 N O2 S2 | CCCCN1C(=O.... |
3 | 6X1Z | - | UL1 | C12 H11 N O3 S2 | COc1ccc(cc.... |
4 | 4O4K | - | 2PK | C10 H8 N2 O2 S | [H]/N=C1/N.... |
5 | 6X1Y | - | UKV | C11 H9 N O2 S2 | COc1cccc(c.... |
6 | 4O5G | - | 2PV | C10 H9 N3 O S | [H]/N=C1/N.... |
7 | 4O43 | - | 2PW | C14 H15 N O2 S2 | CC[C@@H](C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 4O24 | - | 2Q0 | C14 H15 N O2 S2 | CC(C)CN1C(.... |
2 | 6ASC | - | BU7 | C14 H15 N O2 S2 | CCCCN1C(=O.... |
3 | 6X1Z | - | UL1 | C12 H11 N O3 S2 | COc1ccc(cc.... |
4 | 4O4K | - | 2PK | C10 H8 N2 O2 S | [H]/N=C1/N.... |
5 | 6X1Y | - | UKV | C11 H9 N O2 S2 | COc1cccc(c.... |
6 | 4O5G | - | 2PV | C10 H9 N3 O S | [H]/N=C1/N.... |
7 | 4O43 | - | 2PW | C14 H15 N O2 S2 | CC[C@@H](C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | E3X | 0.9619 |
2 | 6SD | 0.9596 |
3 | ERZ | 0.9570 |
4 | 4HB | 0.9570 |
5 | GVY | 0.9545 |
6 | S0D | 0.9530 |
7 | JCZ | 0.9497 |
8 | JAH | 0.9487 |
9 | K7H | 0.9469 |
10 | FZM | 0.9455 |
11 | 6FB | 0.9414 |
12 | KLS | 0.9408 |
13 | SWX | 0.9399 |
14 | TID | 0.9399 |
15 | 5VU | 0.9376 |
16 | 5S9 | 0.9363 |
17 | 4FC | 0.9340 |
18 | LR8 | 0.9334 |
19 | OLU | 0.9332 |
20 | 1ZC | 0.9321 |
21 | C82 | 0.9318 |
22 | 833 | 0.9316 |
23 | H75 | 0.9315 |
24 | 2JX | 0.9313 |
25 | 0UL | 0.9309 |
26 | XCG | 0.9308 |
27 | ENO | 0.9307 |
28 | 6P3 | 0.9306 |
29 | 4FP | 0.9304 |
30 | EQA | 0.9303 |
31 | 0FR | 0.9284 |
32 | L2K | 0.9282 |
33 | MJW | 0.9278 |
34 | A5H | 0.9275 |
35 | 1A5 | 0.9268 |
36 | 2WU | 0.9264 |
37 | 92G | 0.9261 |
38 | 5H6 | 0.9253 |
39 | SOJ | 0.9253 |
40 | X0U | 0.9246 |
41 | X48 | 0.9245 |
42 | HNT | 0.9245 |
43 | YZ9 | 0.9238 |
44 | PRL | 0.9237 |
45 | B1J | 0.9234 |
46 | 4I8 | 0.9234 |
47 | 363 | 0.9234 |
48 | 2QC | 0.9234 |
49 | LZ5 | 0.9233 |
50 | QIV | 0.9232 |
51 | TMG | 0.9231 |
52 | 0K7 | 0.9229 |
53 | JBZ | 0.9228 |
54 | Y3L | 0.9227 |
55 | S98 | 0.9222 |
56 | A7Q | 0.9218 |
57 | 795 | 0.9216 |
58 | HRM | 0.9214 |
59 | S7S | 0.9213 |
60 | N0Z | 0.9210 |
61 | ZSP | 0.9207 |
62 | 3VS | 0.9206 |
63 | 2P3 | 0.9204 |
64 | TOH | 0.9203 |
65 | 397 | 0.9201 |
66 | VC3 | 0.9200 |
67 | GB5 | 0.9200 |
68 | 2J1 | 0.9197 |
69 | GZ2 | 0.9197 |
70 | 3VQ | 0.9196 |
71 | 6H2 | 0.9196 |
72 | L03 | 0.9193 |
73 | 7FU | 0.9191 |
74 | P4T | 0.9189 |
75 | H4B | 0.9188 |
76 | ITE | 0.9183 |
77 | BP7 | 0.9182 |
78 | OJD | 0.9180 |
79 | TYR | 0.9180 |
80 | 0NX | 0.9179 |
81 | BGU | 0.9177 |
82 | KLE | 0.9175 |
83 | 11X | 0.9174 |
84 | AJG | 0.9173 |
85 | TPM | 0.9171 |
86 | AJ1 | 0.9170 |
87 | LO1 | 0.9170 |
88 | S60 | 0.9168 |
89 | FCD | 0.9167 |
90 | ODK | 0.9166 |
91 | C4E | 0.9163 |
92 | 4CN | 0.9155 |
93 | 0OY | 0.9154 |
94 | 0OK | 0.9153 |
95 | NDD | 0.9150 |
96 | A9B | 0.9148 |
97 | ZZA | 0.9146 |
98 | AN3 | 0.9143 |
99 | 848 | 0.9142 |
100 | 1FE | 0.9140 |
101 | EN1 | 0.9138 |
102 | FHV | 0.9137 |
103 | 28A | 0.9136 |
104 | BQ2 | 0.9134 |
105 | II4 | 0.9131 |
106 | 5TT | 0.9130 |
107 | JMG | 0.9128 |
108 | ZTW | 0.9126 |
109 | 8D6 | 0.9124 |
110 | 27K | 0.9123 |
111 | N1E | 0.9119 |
112 | MUK | 0.9119 |
113 | 657 | 0.9116 |
114 | LI7 | 0.9114 |
115 | S7D | 0.9112 |
116 | 4ZF | 0.9111 |
117 | RSV | 0.9111 |
118 | 1DR | 0.9109 |
119 | PIQ | 0.9108 |
120 | PQM | 0.9106 |
121 | 1KN | 0.9105 |
122 | BVS | 0.9103 |
123 | HH6 | 0.9103 |
124 | RA7 | 0.9102 |
125 | IS2 | 0.9100 |
126 | AX4 | 0.9100 |
127 | BIO | 0.9099 |
128 | ZRK | 0.9098 |
129 | FQX | 0.9097 |
130 | 0NJ | 0.9097 |
131 | A5E | 0.9096 |
132 | 3IP | 0.9096 |
133 | 5E5 | 0.9095 |
134 | F02 | 0.9095 |
135 | MD6 | 0.9095 |
136 | JGB | 0.9094 |
137 | 3D8 | 0.9092 |
138 | FMQ | 0.9091 |
139 | A51 | 0.9091 |
140 | 5OR | 0.9091 |
141 | XIF XYP | 0.9090 |
142 | XYP XIF | 0.9090 |
143 | F18 | 0.9090 |
144 | PPY | 0.9089 |
145 | F4K | 0.9087 |
146 | JF8 | 0.9085 |
147 | 0SY | 0.9083 |
148 | G14 | 0.9083 |
149 | HRD | 0.9082 |
150 | 1EB | 0.9082 |
151 | 8CC | 0.9081 |
152 | U13 | 0.9078 |
153 | XYS XYP | 0.9077 |
154 | 9CE | 0.9076 |
155 | 5GV | 0.9069 |
156 | CK2 | 0.9068 |
157 | YE6 | 0.9068 |
158 | EES | 0.9067 |
159 | A6W | 0.9065 |
160 | GB4 | 0.9063 |
161 | GO2 | 0.9061 |
162 | M78 | 0.9060 |
163 | MSR | 0.9060 |
164 | DAH | 0.9058 |
165 | A5Q | 0.9055 |
166 | CX6 | 0.9055 |
167 | RQD | 0.9055 |
168 | LUM | 0.9052 |
169 | 2D2 | 0.9052 |
170 | 80G | 0.9051 |
171 | Q0K | 0.9049 |
172 | 1XS | 0.9048 |
173 | XI7 | 0.9048 |
174 | 6MW | 0.9044 |
175 | TYE | 0.9043 |
176 | N9J | 0.9042 |
177 | 4FE | 0.9039 |
178 | 4AU | 0.9037 |
179 | 4AB | 0.9034 |
180 | EQW | 0.9034 |
181 | XYP XYP | 0.9031 |
182 | 2FX | 0.9030 |
183 | K80 | 0.9028 |
184 | 68B | 0.9024 |
185 | M4N | 0.9022 |
186 | 4Z1 | 0.9020 |
187 | WV7 | 0.9019 |
188 | HBI | 0.9019 |
189 | H2B | 0.9019 |
190 | FYR | 0.9019 |
191 | P7V | 0.9018 |
192 | SX2 | 0.9018 |
193 | 0DF | 0.9014 |
194 | HC4 | 0.9014 |
195 | CH9 | 0.9012 |
196 | MR6 | 0.9011 |
197 | 613 | 0.9010 |
198 | 3IL | 0.9010 |
199 | AOY | 0.9007 |
200 | CC5 | 0.9006 |
201 | LL1 | 0.9002 |
202 | ANC | 0.9000 |
203 | LR2 | 0.8999 |
204 | 4FF | 0.8998 |
205 | 72D | 0.8994 |
206 | SZ5 | 0.8991 |
207 | 3NF | 0.8991 |
208 | CHQ | 0.8990 |
209 | A7H | 0.8990 |
210 | 9UL | 0.8989 |
211 | 5SJ | 0.8988 |
212 | L15 | 0.8986 |
213 | EAT | 0.8986 |
214 | HXY | 0.8986 |
215 | 78Y | 0.8986 |
216 | OQC | 0.8985 |
217 | 9R5 | 0.8984 |
218 | I2E | 0.8984 |
219 | G2V | 0.8982 |
220 | QBP | 0.8980 |
221 | 3QV | 0.8980 |
222 | 5TY | 0.8980 |
223 | S0A | 0.8979 |
224 | 4BF | 0.8978 |
225 | 3R4 | 0.8978 |
226 | 5B2 | 0.8978 |
227 | 4GU | 0.8973 |
228 | 4V2 | 0.8973 |
229 | KF5 | 0.8972 |
230 | 9JT | 0.8970 |
231 | PQV | 0.8970 |
232 | MR4 | 0.8968 |
233 | OA1 | 0.8967 |
234 | AOT | 0.8967 |
235 | 1HP | 0.8966 |
236 | 6KT | 0.8964 |
237 | FF2 | 0.8963 |
238 | F40 | 0.8963 |
239 | NFZ | 0.8963 |
240 | 3ZB | 0.8962 |
241 | WA1 | 0.8961 |
242 | HNL | 0.8959 |
243 | PUE | 0.8957 |
244 | GNW | 0.8954 |
245 | CPZ | 0.8950 |
246 | HX4 | 0.8946 |
247 | 7EH | 0.8946 |
248 | 4UM | 0.8944 |
249 | NKI | 0.8943 |
250 | NE2 | 0.8941 |
251 | 2QU | 0.8941 |
252 | AP6 | 0.8940 |
253 | M6H | 0.8940 |
254 | XDN XYP | 0.8939 |
255 | XYP XDN | 0.8939 |
256 | R9J | 0.8937 |
257 | 3VX | 0.8936 |
258 | 5ER | 0.8936 |
259 | 38E | 0.8936 |
260 | J38 | 0.8935 |
261 | EUH | 0.8934 |
262 | 6C4 | 0.8931 |
263 | HIC | 0.8931 |
264 | P81 | 0.8925 |
265 | 4BY | 0.8924 |
266 | 4G2 | 0.8923 |
267 | DHC | 0.8920 |
268 | JA5 | 0.8919 |
269 | MR5 | 0.8919 |
270 | 5TZ | 0.8919 |
271 | ALE | 0.8916 |
272 | N91 | 0.8916 |
273 | 6J5 | 0.8915 |
274 | 92O | 0.8915 |
275 | 3TC | 0.8914 |
276 | BNL | 0.8914 |
277 | BZQ | 0.8914 |
278 | 6QF | 0.8912 |
279 | SNU | 0.8912 |
280 | IDZ | 0.8912 |
281 | MXD | 0.8910 |
282 | 4BL | 0.8910 |
283 | NY4 | 0.8910 |
284 | UNJ | 0.8909 |
285 | 7O4 | 0.8907 |
286 | EAE | 0.8907 |
287 | 7MW | 0.8907 |
288 | EST | 0.8906 |
289 | 8V8 | 0.8906 |
290 | 9NB | 0.8903 |
291 | KYN | 0.8901 |
292 | 2K8 | 0.8901 |
293 | 36Y | 0.8900 |
294 | PTB | 0.8898 |
295 | FCW | 0.8898 |
296 | THA | 0.8893 |
297 | L22 | 0.8893 |
298 | 2GQ | 0.8890 |
299 | TYC | 0.8887 |
300 | DRG | 0.8886 |
301 | AVA | 0.8885 |
302 | 2B4 | 0.8882 |
303 | D9Z | 0.8881 |
304 | 5TU | 0.8881 |
305 | 9FH | 0.8881 |
306 | 6DQ | 0.8880 |
307 | CBE | 0.8879 |
308 | DTY | 0.8878 |
309 | RKV | 0.8877 |
310 | ZHA | 0.8877 |
311 | 5V7 | 0.8877 |
312 | M83 | 0.8875 |
313 | BPY | 0.8875 |
314 | 20D | 0.8874 |
315 | XDL XYP | 0.8874 |
316 | FHC | 0.8873 |
317 | 344 | 0.8872 |
318 | VUP | 0.8872 |
319 | JSX | 0.8871 |
320 | PJW | 0.8869 |
321 | X6W | 0.8864 |
322 | 1V4 | 0.8861 |
323 | C1M | 0.8861 |
324 | XYS XYS | 0.8860 |
325 | ANF | 0.8860 |
326 | 3F4 | 0.8859 |
327 | S1D | 0.8859 |
328 | 1V1 | 0.8858 |
329 | HO6 | 0.8858 |
330 | RGK | 0.8856 |
331 | HHS | 0.8856 |
332 | TCR | 0.8851 |
333 | X2M | 0.8849 |
334 | 272 | 0.8849 |
335 | 7VP | 0.8846 |
336 | BZJ | 0.8843 |
337 | FDR | 0.8840 |
338 | 5AD | 0.8840 |
339 | 25F | 0.8836 |
340 | ZYQ | 0.8835 |
341 | 68A | 0.8834 |
342 | YIP | 0.8830 |
343 | EQU | 0.8829 |
344 | HNK | 0.8829 |
345 | 6FG | 0.8828 |
346 | DXK | 0.8824 |
347 | 5OO | 0.8823 |
348 | 1A7 | 0.8823 |
349 | BIK | 0.8822 |
350 | NAL | 0.8821 |
351 | KMY | 0.8820 |
352 | Z21 | 0.8820 |
353 | IWT | 0.8818 |
354 | A73 | 0.8817 |
355 | S0E | 0.8817 |
356 | 9PL | 0.8815 |
357 | 6C5 | 0.8815 |
358 | P4L | 0.8815 |
359 | ZRL | 0.8813 |
360 | WCU | 0.8811 |
361 | PPN | 0.8811 |
362 | 6C8 | 0.8810 |
363 | 1FL | 0.8805 |
364 | GEN | 0.8802 |
365 | ZEC | 0.8800 |
366 | 1VK | 0.8800 |
367 | 492 | 0.8797 |
368 | DFL | 0.8796 |
369 | J1K | 0.8796 |
370 | 5F8 | 0.8795 |
371 | BX4 | 0.8794 |
372 | GZV | 0.8792 |
373 | 49P | 0.8791 |
374 | 0BP | 0.8791 |
375 | AA | 0.8790 |
376 | EZL | 0.8790 |
377 | LFN | 0.8790 |
378 | 6L6 | 0.8790 |
379 | RCV | 0.8789 |
380 | D26 | 0.8789 |
381 | LWA | 0.8789 |
382 | EYV | 0.8789 |
383 | PHI | 0.8788 |
384 | 1BW | 0.8786 |
385 | 56D | 0.8783 |
386 | 801 | 0.8783 |
387 | 1PS | 0.8779 |
388 | 3VW | 0.8776 |
389 | VM1 | 0.8776 |
390 | 7FZ | 0.8776 |
391 | DDU | 0.8776 |
392 | 1V3 | 0.8775 |
393 | WLH | 0.8774 |
394 | K3D | 0.8773 |
395 | SQM | 0.8773 |
396 | SYE | 0.8772 |
397 | TRP | 0.8770 |
398 | YE7 | 0.8769 |
399 | J6W | 0.8769 |
400 | 1Q1 | 0.8768 |
401 | 9FG | 0.8767 |
402 | TIA | 0.8767 |
403 | M5H | 0.8765 |
404 | NRA | 0.8764 |
405 | D3G | 0.8763 |
406 | IQZ | 0.8762 |
407 | PFF | 0.8762 |
408 | 3SU | 0.8761 |
409 | C0V | 0.8760 |
410 | 5LA | 0.8758 |
411 | TCC | 0.8756 |
412 | WS7 | 0.8755 |
413 | 50C | 0.8754 |
414 | 4NP | 0.8754 |
415 | A63 | 0.8753 |
416 | NFA | 0.8752 |
417 | 0XR | 0.8752 |
418 | IOP | 0.8752 |
419 | UAY | 0.8750 |
420 | 1Z6 | 0.8750 |
421 | GJG | 0.8746 |
422 | WG8 | 0.8745 |
423 | ZEA | 0.8740 |
424 | 4LW | 0.8739 |
425 | 7G2 | 0.8731 |
426 | 120 | 0.8731 |
427 | DX2 | 0.8730 |
428 | 61M | 0.8729 |
429 | 9KZ | 0.8728 |
430 | 5TO | 0.8723 |
431 | 8NB | 0.8722 |
432 | 18E | 0.8718 |
433 | I3E | 0.8717 |
434 | 1HN | 0.8717 |
435 | PLP | 0.8716 |
436 | 6VW | 0.8715 |
437 | F4E | 0.8714 |
438 | RYV | 0.8711 |
439 | E1K | 0.8710 |
440 | KWV | 0.8710 |
441 | 5NR | 0.8709 |
442 | CR4 | 0.8709 |
443 | NPS | 0.8708 |
444 | BMZ | 0.8707 |
445 | 8XL | 0.8705 |
446 | SJK | 0.8705 |
447 | ZYR | 0.8704 |
448 | 5FL | 0.8704 |
449 | KTJ | 0.8703 |
450 | ESJ | 0.8702 |
451 | 124 | 0.8702 |
452 | 9B3 | 0.8702 |
453 | TZF | 0.8700 |
454 | LEL | 0.8700 |
455 | GGB | 0.8700 |
456 | L1T | 0.8698 |
457 | 245 | 0.8697 |
458 | K97 | 0.8697 |
459 | GXD | 0.8693 |
460 | 0LO | 0.8693 |
461 | 9FL | 0.8692 |
462 | 1OT | 0.8691 |
463 | 4CF | 0.8691 |
464 | AES | 0.8688 |
465 | PH2 | 0.8686 |
466 | 54X | 0.8686 |
467 | LVY | 0.8686 |
468 | D25 | 0.8684 |
469 | CNI | 0.8683 |
470 | 26C | 0.8683 |
471 | ESX | 0.8682 |
472 | 3XH | 0.8681 |
473 | 9CA | 0.8677 |
474 | 428 | 0.8677 |
475 | XIZ | 0.8675 |
476 | 6ZX | 0.8674 |
477 | 1Q2 | 0.8672 |
478 | EWG | 0.8671 |
479 | GJP | 0.8671 |
480 | BIH | 0.8670 |
481 | MPV | 0.8668 |
482 | P80 | 0.8667 |
483 | 4RU | 0.8665 |
484 | 5M2 | 0.8664 |
485 | J9N | 0.8663 |
486 | GAE | 0.8659 |
487 | 5VL | 0.8659 |
488 | FT2 | 0.8659 |
489 | IIH | 0.8658 |
490 | 17M | 0.8658 |
491 | 6ZE | 0.8657 |
492 | HJ7 | 0.8657 |
493 | 135 | 0.8655 |
494 | FER | 0.8653 |
495 | DBS | 0.8651 |
496 | 22L | 0.8650 |
497 | 2Q0 | 0.8650 |
498 | 91F | 0.8648 |
499 | 1IT | 0.8648 |
500 | 1V8 | 0.8646 |
501 | TCA | 0.8645 |
502 | 2L1 | 0.8641 |
503 | J3Z | 0.8641 |
504 | 2HC | 0.8640 |
505 | 39Z | 0.8640 |
506 | 22F | 0.8637 |
507 | 3Y7 | 0.8635 |
508 | 27B | 0.8634 |
509 | 15E | 0.8632 |
510 | TJM | 0.8632 |
511 | TT4 | 0.8632 |
512 | V1T | 0.8631 |
513 | AMR | 0.8630 |
514 | 3J8 | 0.8629 |
515 | JG8 | 0.8628 |
516 | 549 | 0.8627 |
517 | 4MB | 0.8625 |
518 | 5SD | 0.8623 |
519 | KP2 | 0.8618 |
520 | 5NN | 0.8615 |
521 | P1J | 0.8613 |
522 | BVA | 0.8610 |
523 | 8MO | 0.8605 |
524 | SNO | 0.8605 |
525 | PH3 | 0.8604 |
526 | XYP XYS | 0.8602 |
527 | 08C | 0.8597 |
528 | X11 | 0.8597 |
529 | WS6 | 0.8596 |
530 | NAG | 0.8594 |
531 | JRO | 0.8589 |
532 | 27F | 0.8588 |
533 | AWE | 0.8588 |
534 | H2W | 0.8587 |
535 | HHR | 0.8586 |
536 | 5GT | 0.8578 |
537 | GO8 | 0.8578 |
538 | ESP | 0.8575 |
539 | NCT | 0.8575 |
540 | TYL | 0.8574 |
541 | 1L5 | 0.8569 |
542 | 4NS | 0.8568 |
543 | 0JD | 0.8560 |
544 | MKN | 0.8558 |
545 | VGS | 0.8556 |
546 | W8L | 0.8551 |
547 | BZE | 0.8550 |
548 | OA4 | 0.8543 |
549 | 6WR | 0.8540 |
550 | BBY | 0.8539 |
551 | BU7 | 0.8534 |
552 | BGN | 0.8529 |
553 | GJK | 0.8527 |
554 | CUE | 0.8513 |
555 | AHN | 0.8505 |
This union binding pocket(no: 1) in the query (biounit: 6x1z.bio1) has 53 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6RQP | OLC | 3.05677 |
This union binding pocket(no: 2) in the query (biounit: 6x1z.bio1) has 53 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6RQP | OLC | 3.05677 |