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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 214 families. | |||||
1 | 1Y2G | Kd = 83.1 uM | CL3 | C20 H17 N5 O | CC(=O)N(C).... |
2 | 1Y2F | Kd = 12 uM | WAI | C22 H26 Cl N7 | Cc1ccc(cc1.... |
3 | 1S1S | - | WAC | C21 H29 N3 O3 S | CC(C)S(=O).... |
4 | 1S1J | - | IQZ | C15 H16 N2 O | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 1Y2G | Kd = 83.1 uM | CL3 | C20 H17 N5 O | CC(=O)N(C).... |
2 | 1Y2F | Kd = 12 uM | WAI | C22 H26 Cl N7 | Cc1ccc(cc1.... |
3 | 1S1S | - | WAC | C21 H29 N3 O3 S | CC(C)S(=O).... |
4 | 1S1J | - | IQZ | C15 H16 N2 O | c1ccc2c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IQZ | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CUE | 0.9591 |
2 | P4L | 0.9412 |
3 | NRA | 0.9399 |
4 | 2GQ | 0.9374 |
5 | DRG | 0.9323 |
6 | F40 | 0.9312 |
7 | 39Z | 0.9312 |
8 | VUP | 0.9303 |
9 | THA | 0.9300 |
10 | DX7 | 0.9290 |
11 | 9CE | 0.9289 |
12 | 3J8 | 0.9281 |
13 | LIG | 0.9275 |
14 | DX2 | 0.9268 |
15 | 9TF | 0.9255 |
16 | 5NN | 0.9252 |
17 | 1V4 | 0.9246 |
18 | ANF | 0.9245 |
19 | D87 | 0.9244 |
20 | 1DR | 0.9243 |
21 | 5V7 | 0.9239 |
22 | LI7 | 0.9237 |
23 | II4 | 0.9234 |
24 | DNF SER | 0.9218 |
25 | SER DNF | 0.9218 |
26 | TCR | 0.9217 |
27 | 1V1 | 0.9215 |
28 | OTA | 0.9214 |
29 | Z21 | 0.9214 |
30 | AA | 0.9210 |
31 | A73 | 0.9210 |
32 | OPA | 0.9204 |
33 | DXK | 0.9202 |
34 | LFN | 0.9202 |
35 | JTA | 0.9201 |
36 | 20D | 0.9192 |
37 | 1YL | 0.9190 |
38 | AXX | 0.9188 |
39 | YE7 | 0.9187 |
40 | GNV | 0.9184 |
41 | 1EL | 0.9182 |
42 | E1K | 0.9174 |
43 | 5E5 | 0.9169 |
44 | KW8 | 0.9162 |
45 | DFL | 0.9159 |
46 | BA5 | 0.9157 |
47 | COL | 0.9155 |
48 | 1V3 | 0.9146 |
49 | PIQ | 0.9145 |
50 | 3GX | 0.9143 |
51 | L07 | 0.9142 |
52 | 2JK | 0.9137 |
53 | 0UL | 0.9127 |
54 | GNJ | 0.9127 |
55 | 25F | 0.9123 |
56 | 4AU | 0.9122 |
57 | OAI | 0.9122 |
58 | PRL | 0.9109 |
59 | 6FB | 0.9108 |
60 | 18E | 0.9107 |
61 | CKA | 0.9102 |
62 | FQX | 0.9100 |
63 | 2QU | 0.9100 |
64 | 761 | 0.9099 |
65 | 4E3 | 0.9099 |
66 | 5TZ | 0.9098 |
67 | X2M | 0.9092 |
68 | 4E2 | 0.9088 |
69 | EQU | 0.9081 |
70 | VM1 | 0.9081 |
71 | LL1 | 0.9078 |
72 | 8SK | 0.9069 |
73 | 3F4 | 0.9067 |
74 | NOM | 0.9065 |
75 | YZ9 | 0.9061 |
76 | DDC | 0.9057 |
77 | 19E | 0.9055 |
78 | EV2 | 0.9055 |
79 | RGK | 0.9054 |
80 | SZ5 | 0.9049 |
81 | CX6 | 0.9047 |
82 | CDJ | 0.9046 |
83 | HRM | 0.9039 |
84 | LFQ | 0.9036 |
85 | BGU | 0.9035 |
86 | NKI | 0.9035 |
87 | EST | 0.9034 |
88 | BIK | 0.9027 |
89 | M3W | 0.9027 |
90 | 6DQ | 0.9025 |
91 | TXQ | 0.9020 |
92 | 272 | 0.9014 |
93 | DNA | 0.9013 |
94 | BRY | 0.9003 |
95 | 2J1 | 0.9002 |
96 | CZ0 | 0.9002 |
97 | 5B2 | 0.9002 |
98 | 0FR | 0.8999 |
99 | DK1 | 0.8996 |
100 | EMO | 0.8995 |
101 | YE6 | 0.8995 |
102 | IDZ | 0.8993 |
103 | ZSP | 0.8990 |
104 | 1AJ | 0.8988 |
105 | 8MO | 0.8985 |
106 | C4E | 0.8984 |
107 | TXW | 0.8982 |
108 | 5F8 | 0.8976 |
109 | VT3 | 0.8973 |
110 | XM5 | 0.8972 |
111 | RHN | 0.8970 |
112 | 7FF | 0.8969 |
113 | 22T | 0.8967 |
114 | 2JX | 0.8963 |
115 | S60 | 0.8962 |
116 | 9KZ | 0.8961 |
117 | LUM | 0.8960 |
118 | CX4 | 0.8958 |
119 | 2LW | 0.8955 |
120 | 0LO | 0.8952 |
121 | AMR | 0.8952 |
122 | EES | 0.8949 |
123 | BZJ | 0.8949 |
124 | LEL | 0.8947 |
125 | 6MW | 0.8946 |
126 | JWS | 0.8945 |
127 | AP6 | 0.8940 |
128 | JCZ | 0.8937 |
129 | B56 | 0.8935 |
130 | W8L | 0.8933 |
131 | 0DF | 0.8932 |
132 | B61 | 0.8932 |
133 | 8G6 | 0.8930 |
134 | M78 | 0.8927 |
135 | MNX | 0.8925 |
136 | 49P | 0.8924 |
137 | WLH | 0.8923 |
138 | E3U | 0.8923 |
139 | 0SX | 0.8920 |
140 | GNR | 0.8918 |
141 | HH6 | 0.8917 |
142 | 3WL | 0.8915 |
143 | J3Z | 0.8915 |
144 | HBI | 0.8911 |
145 | HHS | 0.8911 |
146 | 78Y | 0.8909 |
147 | 344 | 0.8909 |
148 | MUR | 0.8907 |
149 | C09 | 0.8905 |
150 | AFT | 0.8904 |
151 | WUB | 0.8904 |
152 | 5VJ | 0.8904 |
153 | CC6 | 0.8903 |
154 | AZN | 0.8902 |
155 | 3D8 | 0.8900 |
156 | DNQ | 0.8898 |
157 | PEY | 0.8898 |
158 | GNY | 0.8898 |
159 | QUE | 0.8896 |
160 | SU9 | 0.8893 |
161 | L1T | 0.8892 |
162 | 6VW | 0.8892 |
163 | ANC | 0.8891 |
164 | 363 | 0.8891 |
165 | AGI | 0.8891 |
166 | NYJ | 0.8889 |
167 | FSE | 0.8887 |
168 | H5B | 0.8886 |
169 | 0SY | 0.8886 |
170 | E9L | 0.8885 |
171 | LP8 | 0.8883 |
172 | KMP | 0.8881 |
173 | 68A | 0.8881 |
174 | P9I | 0.8880 |
175 | JRO | 0.8880 |
176 | LDR | 0.8878 |
177 | 6QF | 0.8877 |
178 | IXM | 0.8872 |
179 | H2W | 0.8872 |
180 | BQ2 | 0.8872 |
181 | BIO | 0.8868 |
182 | PUE | 0.8868 |
183 | 537 | 0.8868 |
184 | LR2 | 0.8867 |
185 | 2J2 | 0.8867 |
186 | 1X8 | 0.8867 |
187 | MD6 | 0.8864 |
188 | AQN | 0.8861 |
189 | 9AP | 0.8861 |
190 | 4HG | 0.8859 |
191 | 6JO | 0.8859 |
192 | 28A | 0.8858 |
193 | KYA | 0.8856 |
194 | ZRK | 0.8855 |
195 | CNI | 0.8852 |
196 | XI7 | 0.8852 |
197 | ECS | 0.8842 |
198 | 8DA | 0.8841 |
199 | 30G | 0.8840 |
200 | 2AN | 0.8838 |
201 | ITE | 0.8838 |
202 | 52F | 0.8837 |
203 | 2D2 | 0.8837 |
204 | M3F | 0.8836 |
205 | Q8G | 0.8835 |
206 | HNA | 0.8833 |
207 | 5AD | 0.8831 |
208 | 2K8 | 0.8831 |
209 | 1ZC | 0.8830 |
210 | FDR | 0.8825 |
211 | L2K | 0.8825 |
212 | 6TJ | 0.8824 |
213 | DPT | 0.8823 |
214 | DY9 | 0.8819 |
215 | 1FE | 0.8818 |
216 | Q0K | 0.8816 |
217 | S98 | 0.8815 |
218 | KU1 | 0.8815 |
219 | NDD | 0.8812 |
220 | 2WU | 0.8810 |
221 | 5GV | 0.8808 |
222 | 5TY | 0.8805 |
223 | 4I8 | 0.8805 |
224 | 7M2 | 0.8804 |
225 | WV7 | 0.8803 |
226 | 1HN | 0.8802 |
227 | EAE | 0.8802 |
228 | 5OR | 0.8801 |
229 | XCG | 0.8800 |
230 | TRP | 0.8798 |
231 | ESL | 0.8796 |
232 | 54X | 0.8795 |
233 | K44 | 0.8794 |
234 | H4B | 0.8794 |
235 | BZQ | 0.8793 |
236 | ZRL | 0.8789 |
237 | 9OF | 0.8789 |
238 | J38 | 0.8787 |
239 | CSN | 0.8785 |
240 | HRD | 0.8780 |
241 | NIF | 0.8779 |
242 | 17M | 0.8777 |
243 | GJP | 0.8776 |
244 | OQC | 0.8773 |
245 | A9B | 0.8772 |
246 | 3VQ | 0.8772 |
247 | 4KL | 0.8771 |
248 | RSV | 0.8769 |
249 | U7E | 0.8767 |
250 | A5H | 0.8766 |
251 | 833 | 0.8763 |
252 | B21 | 0.8762 |
253 | 5WT | 0.8762 |
254 | 2PV | 0.8762 |
255 | JF8 | 0.8760 |
256 | 9UL | 0.8759 |
257 | ZZA | 0.8759 |
258 | A63 | 0.8759 |
259 | CHQ | 0.8755 |
260 | QR2 | 0.8752 |
261 | DX8 | 0.8752 |
262 | 4CN | 0.8750 |
263 | QIV | 0.8749 |
264 | FUJ | 0.8748 |
265 | 5XL | 0.8748 |
266 | JP2 | 0.8747 |
267 | X0T | 0.8747 |
268 | EWG | 0.8745 |
269 | JY4 | 0.8745 |
270 | MFR | 0.8743 |
271 | 3C3 | 0.8743 |
272 | MRI | 0.8743 |
273 | LF5 | 0.8740 |
274 | TDH | 0.8738 |
275 | 3AK | 0.8738 |
276 | O9Z | 0.8737 |
277 | LU2 | 0.8737 |
278 | 9JT | 0.8737 |
279 | 774 | 0.8736 |
280 | 582 | 0.8736 |
281 | BJ4 | 0.8736 |
282 | ZHA | 0.8731 |
283 | 27M | 0.8731 |
284 | V1T | 0.8730 |
285 | NDG | 0.8730 |
286 | ESZ | 0.8729 |
287 | QMS | 0.8728 |
288 | 1UZ | 0.8727 |
289 | 08C | 0.8727 |
290 | LWS | 0.8725 |
291 | ZO9 | 0.8724 |
292 | ESM | 0.8724 |
293 | A6W | 0.8723 |
294 | 91F | 0.8723 |
295 | PLP | 0.8723 |
296 | 3SU | 0.8722 |
297 | JMG | 0.8721 |
298 | 4RU | 0.8721 |
299 | AN3 | 0.8718 |
300 | UXH | 0.8717 |
301 | 34L | 0.8717 |
302 | O9T | 0.8715 |
303 | 5SJ | 0.8713 |
304 | X48 | 0.8713 |
305 | RKV | 0.8710 |
306 | 1TJ | 0.8706 |
307 | K25 | 0.8705 |
308 | G14 | 0.8704 |
309 | HWB | 0.8703 |
310 | PJW | 0.8701 |
311 | UN9 | 0.8701 |
312 | Q5M | 0.8700 |
313 | HBO | 0.8699 |
314 | RVE | 0.8699 |
315 | 6KT | 0.8695 |
316 | HNT | 0.8695 |
317 | NAG | 0.8691 |
318 | WS6 | 0.8690 |
319 | CLI | 0.8689 |
320 | 6BK | 0.8686 |
321 | XYP XYP | 0.8685 |
322 | ADL | 0.8684 |
323 | O9Q | 0.8683 |
324 | ESR | 0.8682 |
325 | 4ZF | 0.8682 |
326 | 79X | 0.8681 |
327 | PMP | 0.8679 |
328 | ALH | 0.8677 |
329 | KMY | 0.8674 |
330 | 96U | 0.8674 |
331 | TIY | 0.8674 |
332 | BPU | 0.8673 |
333 | 1FL | 0.8672 |
334 | HC8 | 0.8672 |
335 | PH2 | 0.8672 |
336 | K8W | 0.8669 |
337 | GO2 | 0.8667 |
338 | WS7 | 0.8666 |
339 | 6ZW | 0.8665 |
340 | X0U | 0.8664 |
341 | H70 | 0.8663 |
342 | 3CA | 0.8662 |
343 | S0D | 0.8660 |
344 | 5ER | 0.8660 |
345 | DHT | 0.8659 |
346 | SGW | 0.8659 |
347 | Y3L | 0.8658 |
348 | AJG | 0.8656 |
349 | IOP | 0.8655 |
350 | 3UG | 0.8654 |
351 | 7M5 | 0.8652 |
352 | NPS | 0.8651 |
353 | 1QV | 0.8650 |
354 | 6JM | 0.8648 |
355 | F5C | 0.8646 |
356 | N0Z | 0.8645 |
357 | KP2 | 0.8643 |
358 | MYC | 0.8635 |
359 | 0K7 | 0.8633 |
360 | PK3 | 0.8632 |
361 | 2PK | 0.8631 |
362 | I6G | 0.8629 |
363 | BHF | 0.8629 |
364 | 5SB | 0.8629 |
365 | K7H | 0.8627 |
366 | 5GT | 0.8626 |
367 | TES | 0.8626 |
368 | 7MX | 0.8625 |
369 | 2V4 | 0.8622 |
370 | 6QT | 0.8622 |
371 | EVO | 0.8622 |
372 | NWD | 0.8622 |
373 | 2MQ | 0.8621 |
374 | ONR | 0.8621 |
375 | K68 | 0.8620 |
376 | ASD | 0.8620 |
377 | 8NX | 0.8619 |
378 | M5H | 0.8616 |
379 | AOM | 0.8615 |
380 | AD3 | 0.8612 |
381 | ADN | 0.8610 |
382 | DQH | 0.8604 |
383 | HHR | 0.8603 |
384 | MR6 | 0.8602 |
385 | FNT | 0.8602 |
386 | B2E | 0.8601 |
387 | 69W | 0.8601 |
388 | AOX | 0.8600 |
389 | MXD | 0.8600 |
390 | KLV | 0.8600 |
391 | GNG | 0.8600 |
392 | JAH | 0.8593 |
393 | T28 | 0.8592 |
394 | SJK | 0.8591 |
395 | 2UD | 0.8591 |
396 | RDT | 0.8590 |
397 | 92O | 0.8586 |
398 | 4B0 | 0.8584 |
399 | 3VS | 0.8584 |
400 | P0P | 0.8581 |
401 | 657 | 0.8581 |
402 | 22L | 0.8580 |
403 | 5SD | 0.8578 |
404 | FYR | 0.8575 |
405 | GZV | 0.8569 |
406 | LR8 | 0.8568 |
407 | 0MB | 0.8566 |
408 | 5WW | 0.8564 |
409 | GEN | 0.8563 |
410 | 27F | 0.8555 |
411 | B0K | 0.8547 |
412 | 3Y7 | 0.8546 |
413 | 5WN | 0.8542 |
414 | 0FK | 0.8541 |
415 | 549 | 0.8539 |
416 | K48 | 0.8537 |
417 | AOI | 0.8533 |
418 | D9Z | 0.8533 |
419 | JG8 | 0.8530 |
420 | NPL | 0.8523 |
421 | 397 | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 1y2f.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |