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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 27 families. | |||||
1 | 5H1V | Kd = 34 uM | 7FU | C8 H9 N5 O S | c1cc2c(cc1.... |
2 | 5H1U | Kd = 63 uM | 6KT | C8 H7 N3 O S | c1cc2c(cc1.... |
3 | 4YBM | ic50 = 0.14 uM | 4BJ | C30 H29 N3 O7 S | CN1c2cc(c(.... |
4 | 4YAX | ic50 = 1.5 uM | 4AE | C22 H21 N3 O5 S | CN1c2cc(c(.... |
5 | 3O36 | - | GLY ALA ALY ARG HIS ARG | n/a | n/a |
6 | 4YBS | ic50 = 0.057 uM | 4BK | C24 H29 N5 O5 S | Cc1nc(cn1C.... |
7 | 3O37 | - | ALA ARG THR LYS GLN THR ALA ARG LYS SER | n/a | n/a |
8 | 4YC9 | Kd = 1.3 nM | 4C1 | C32 H42 N4 O8 S | CCCOc1cc(c.... |
9 | 3O35 | - | LYS ALA ALA ARG ALY SER ALA PRO ALA | n/a | n/a |
10 | 4YAT | ic50 = 9.3 uM | 4A8 | C16 H17 N3 O4 S | CN1c2ccc(c.... |
11 | 4YAB | ic50 = 8.5 uM | 4CN | C13 H12 N2 O S | Cc1nc(cs1).... |
12 | 4YBT | ic50 = 0.1 uM | 4BV | C24 H27 N5 O6 S | Cn1cc(nc1).... |
13 | 4YAD | ic50 = 2.5 uM | 4A7 | C18 H20 N2 O5 S | CN1c2ccc(c.... |
14 | 5H1T | Kd = 0.16 mM | 7FF | C11 H14 N2 O2 | COC(=O)N1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 5H1V | Kd = 34 uM | 7FU | C8 H9 N5 O S | c1cc2c(cc1.... |
2 | 5H1U | Kd = 63 uM | 6KT | C8 H7 N3 O S | c1cc2c(cc1.... |
3 | 4YBM | ic50 = 0.14 uM | 4BJ | C30 H29 N3 O7 S | CN1c2cc(c(.... |
4 | 4YAX | ic50 = 1.5 uM | 4AE | C22 H21 N3 O5 S | CN1c2cc(c(.... |
5 | 3O36 | - | GLY ALA ALY ARG HIS ARG | n/a | n/a |
6 | 4YBS | ic50 = 0.057 uM | 4BK | C24 H29 N5 O5 S | Cc1nc(cn1C.... |
7 | 3O37 | - | ALA ARG THR LYS GLN THR ALA ARG LYS SER | n/a | n/a |
8 | 4YC9 | Kd = 1.3 nM | 4C1 | C32 H42 N4 O8 S | CCCOc1cc(c.... |
9 | 3O35 | - | LYS ALA ALA ARG ALY SER ALA PRO ALA | n/a | n/a |
10 | 4YAT | ic50 = 9.3 uM | 4A8 | C16 H17 N3 O4 S | CN1c2ccc(c.... |
11 | 4YAB | ic50 = 8.5 uM | 4CN | C13 H12 N2 O S | Cc1nc(cs1).... |
12 | 4YBT | ic50 = 0.1 uM | 4BV | C24 H27 N5 O6 S | Cn1cc(nc1).... |
13 | 4YAD | ic50 = 2.5 uM | 4A7 | C18 H20 N2 O5 S | CN1c2ccc(c.... |
14 | 5H1T | Kd = 0.16 mM | 7FF | C11 H14 N2 O2 | COC(=O)N1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7FF | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 9UG | 0.9708 |
2 | EV3 | 0.9590 |
3 | C2Y | 0.9429 |
4 | TVP | 0.9424 |
5 | 92P | 0.9392 |
6 | DNC | 0.9388 |
7 | 67X | 0.9386 |
8 | FLV | 0.9370 |
9 | 30G | 0.9354 |
10 | CKA | 0.9347 |
11 | DRG | 0.9313 |
12 | VYM | 0.9309 |
13 | 4TU | 0.9306 |
14 | 64C | 0.9305 |
15 | Z5P | 0.9302 |
16 | TQU | 0.9290 |
17 | HLD | 0.9283 |
18 | PDC | 0.9279 |
19 | SR4 | 0.9274 |
20 | 4ME | 0.9271 |
21 | 5WY | 0.9267 |
22 | 7ZE | 0.9264 |
23 | 4KL | 0.9257 |
24 | NLA | 0.9251 |
25 | XEN | 0.9241 |
26 | 4OG | 0.9240 |
27 | 28N | 0.9240 |
28 | I6G | 0.9238 |
29 | 9UL | 0.9238 |
30 | 5VJ | 0.9235 |
31 | KYA | 0.9233 |
32 | 1X7 | 0.9221 |
33 | INE | 0.9220 |
34 | DNA | 0.9218 |
35 | 8XQ | 0.9211 |
36 | FXH | 0.9209 |
37 | JXK | 0.9207 |
38 | 2ZQ | 0.9204 |
39 | ALN | 0.9203 |
40 | 2LY | 0.9201 |
41 | MHK | 0.9199 |
42 | LDR | 0.9196 |
43 | EYA | 0.9193 |
44 | M0Q | 0.9193 |
45 | BK9 | 0.9190 |
46 | EY7 | 0.9186 |
47 | 6VD | 0.9186 |
48 | 7M6 | 0.9185 |
49 | ICO | 0.9183 |
50 | 2JK | 0.9174 |
51 | 9AP | 0.9171 |
52 | EYM | 0.9168 |
53 | KWH | 0.9168 |
54 | 8XL | 0.9164 |
55 | M4E | 0.9161 |
56 | PEY | 0.9160 |
57 | 7VS | 0.9156 |
58 | 2J9 | 0.9155 |
59 | M0W | 0.9151 |
60 | 8GK | 0.9151 |
61 | 7CT | 0.9147 |
62 | M5H | 0.9146 |
63 | 0F9 | 0.9144 |
64 | TRP | 0.9141 |
65 | THA | 0.9140 |
66 | 5PX | 0.9139 |
67 | CTN | 0.9139 |
68 | DNF | 0.9137 |
69 | KWQ | 0.9136 |
70 | M6Z | 0.9136 |
71 | CLZ | 0.9135 |
72 | VM1 | 0.9135 |
73 | URI | 0.9132 |
74 | MS9 | 0.9127 |
75 | BA5 | 0.9118 |
76 | 5VL | 0.9116 |
77 | F95 | 0.9115 |
78 | NID | 0.9114 |
79 | F12 | 0.9109 |
80 | PH2 | 0.9102 |
81 | NDG | 0.9101 |
82 | ONR | 0.9101 |
83 | 67Y | 0.9097 |
84 | 64E | 0.9094 |
85 | Q6T | 0.9094 |
86 | 7MX | 0.9091 |
87 | PD2 | 0.9088 |
88 | MS0 | 0.9087 |
89 | H5B | 0.9083 |
90 | GSY | 0.9080 |
91 | W81 | 0.9076 |
92 | RVE | 0.9075 |
93 | 9X5 | 0.9075 |
94 | NVU | 0.9074 |
95 | JR2 | 0.9074 |
96 | JYK | 0.9073 |
97 | BZJ | 0.9072 |
98 | 5NS | 0.9070 |
99 | GZQ | 0.9066 |
100 | 5OF | 0.9064 |
101 | URC | 0.9064 |
102 | IAC | 0.9058 |
103 | NAG | 0.9055 |
104 | TSR | 0.9055 |
105 | DQU | 0.9052 |
106 | LZ2 | 0.9051 |
107 | M5N | 0.9046 |
108 | AKH | 0.9046 |
109 | XM5 | 0.9040 |
110 | SRO | 0.9039 |
111 | 692 | 0.9037 |
112 | 582 | 0.9036 |
113 | M3Q | 0.9035 |
114 | DTR | 0.9033 |
115 | 2D3 | 0.9033 |
116 | M1H | 0.9031 |
117 | NTZ | 0.9031 |
118 | 226 | 0.9028 |
119 | MQB | 0.9028 |
120 | 790 | 0.9024 |
121 | BPU | 0.9023 |
122 | ODO | 0.9021 |
123 | 5RN | 0.9019 |
124 | TXW | 0.9017 |
125 | M2K | 0.9017 |
126 | 9R5 | 0.9014 |
127 | PYU | 0.9014 |
128 | 7I2 | 0.9013 |
129 | HLZ | 0.9010 |
130 | 1QP | 0.9010 |
131 | 1AL | 0.9009 |
132 | 0GZ | 0.9009 |
133 | IBM | 0.9007 |
134 | CKU | 0.9004 |
135 | MYI | 0.9003 |
136 | 0LH | 0.9002 |
137 | QMS | 0.9002 |
138 | 4AV | 0.9002 |
139 | 6BL | 0.9001 |
140 | 54X | 0.8999 |
141 | AA | 0.8996 |
142 | 60L | 0.8993 |
143 | VK3 | 0.8993 |
144 | CX4 | 0.8992 |
145 | GNV | 0.8992 |
146 | IQ5 | 0.8991 |
147 | 42C | 0.8991 |
148 | NGO | 0.8990 |
149 | JYW | 0.8988 |
150 | 6ME | 0.8988 |
151 | TSS | 0.8986 |
152 | X8D | 0.8982 |
153 | AMR | 0.8981 |
154 | 44V | 0.8977 |
155 | 8TX | 0.8976 |
156 | CSN | 0.8976 |
157 | RD4 | 0.8974 |
158 | 3TJ | 0.8974 |
159 | 44W | 0.8973 |
160 | IOS | 0.8971 |
161 | IQZ | 0.8969 |
162 | 5V7 | 0.8969 |
163 | 61M | 0.8969 |
164 | 4I8 | 0.8968 |
165 | NGT | 0.8965 |
166 | NGW | 0.8965 |
167 | OW7 | 0.8965 |
168 | XFE | 0.8965 |
169 | VXX | 0.8961 |
170 | 36M | 0.8960 |
171 | UAN | 0.8959 |
172 | 5WU | 0.8958 |
173 | GC2 | 0.8956 |
174 | VNL | 0.8952 |
175 | K82 | 0.8949 |
176 | DEW | 0.8947 |
177 | PJW | 0.8946 |
178 | 28S | 0.8945 |
179 | 4XY | 0.8944 |
180 | AIN | 0.8943 |
181 | O2A | 0.8941 |
182 | WUB | 0.8936 |
183 | SQ7 | 0.8933 |
184 | GNJ | 0.8933 |
185 | QPR | 0.8932 |
186 | GV9 | 0.8931 |
187 | 1XA | 0.8931 |
188 | KIF | 0.8930 |
189 | TNX | 0.8928 |
190 | HQD | 0.8928 |
191 | ITW | 0.8927 |
192 | ANF | 0.8927 |
193 | DK1 | 0.8925 |
194 | P9T | 0.8924 |
195 | QX4 | 0.8923 |
196 | FUJ | 0.8921 |
197 | 8HC | 0.8921 |
198 | ZON | 0.8918 |
199 | HNQ | 0.8917 |
200 | 3R6 | 0.8917 |
201 | CFA | 0.8916 |
202 | OIA | 0.8914 |
203 | 49O | 0.8914 |
204 | XQK | 0.8913 |
205 | 0FK | 0.8909 |
206 | EWG | 0.8909 |
207 | 1X8 | 0.8907 |
208 | C9E | 0.8906 |
209 | DBJ | 0.8905 |
210 | GDL | 0.8905 |
211 | 2KA | 0.8904 |
212 | JTA | 0.8903 |
213 | 1Z8 | 0.8902 |
214 | B62 | 0.8902 |
215 | 7B3 | 0.8899 |
216 | 5F5 | 0.8897 |
217 | 96R | 0.8897 |
218 | 1KP | 0.8896 |
219 | JKZ | 0.8896 |
220 | 4HC | 0.8896 |
221 | OTD | 0.8895 |
222 | L07 | 0.8893 |
223 | 7ME | 0.8892 |
224 | 7ZC | 0.8892 |
225 | FTV | 0.8891 |
226 | FE DB1 | 0.8889 |
227 | 5NE | 0.8889 |
228 | JXW | 0.8883 |
229 | SLC | 0.8883 |
230 | 23J | 0.8881 |
231 | 0FR | 0.8880 |
232 | JXZ | 0.8877 |
233 | XAZ | 0.8876 |
234 | ZYR | 0.8876 |
235 | SBK | 0.8875 |
236 | DX3 | 0.8874 |
237 | OQC | 0.8873 |
238 | J9Q | 0.8873 |
239 | QBK | 0.8873 |
240 | K3Q | 0.8871 |
241 | 4A5 | 0.8870 |
242 | SYA | 0.8868 |
243 | KED | 0.8866 |
244 | SYR | 0.8866 |
245 | 3MG | 0.8865 |
246 | 8WZ | 0.8864 |
247 | 3N4 | 0.8863 |
248 | TWB | 0.8862 |
249 | 4MU | 0.8862 |
250 | X0W | 0.8861 |
251 | 3J8 | 0.8861 |
252 | MNP | 0.8860 |
253 | SQ4 | 0.8858 |
254 | HHT | 0.8853 |
255 | 344 | 0.8851 |
256 | E7R | 0.8850 |
257 | OKM | 0.8849 |
258 | GLY PRO | 0.8849 |
259 | PQ0 | 0.8849 |
260 | 2F6 | 0.8847 |
261 | CH9 | 0.8846 |
262 | PRF | 0.8845 |
263 | DUR | 0.8843 |
264 | 4VY | 0.8841 |
265 | CTE | 0.8836 |
266 | 2J2 | 0.8836 |
267 | 39U | 0.8834 |
268 | FBG | 0.8834 |
269 | AVR | 0.8832 |
270 | 7WR | 0.8832 |
271 | HBO | 0.8830 |
272 | 5GU | 0.8829 |
273 | 8VN | 0.8828 |
274 | W22 | 0.8827 |
275 | YKG | 0.8827 |
276 | 2SX | 0.8827 |
277 | GTV | 0.8826 |
278 | XHP | 0.8826 |
279 | 7SX | 0.8825 |
280 | 2FQ | 0.8825 |
281 | PRZ | 0.8824 |
282 | KFH | 0.8822 |
283 | Q71 | 0.8822 |
284 | KW8 | 0.8821 |
285 | 209 | 0.8820 |
286 | BB4 | 0.8818 |
287 | FOT | 0.8817 |
288 | BGC | 0.8815 |
289 | LEL | 0.8813 |
290 | GNL | 0.8813 |
291 | 9LI | 0.8811 |
292 | CWJ | 0.8810 |
293 | 7NI | 0.8809 |
294 | 2FY | 0.8808 |
295 | BDP | 0.8808 |
296 | 1WC | 0.8806 |
297 | AJD | 0.8806 |
298 | AY4 | 0.8805 |
299 | UFO | 0.8804 |
300 | S3P | 0.8801 |
301 | 091 | 0.8800 |
302 | ZME | 0.8797 |
303 | G1P | 0.8796 |
304 | 8NX | 0.8792 |
305 | 0FO | 0.8791 |
306 | R8Y | 0.8791 |
307 | H05 | 0.8789 |
308 | LF5 | 0.8788 |
309 | Q24 | 0.8788 |
310 | H33 | 0.8787 |
311 | BOQ | 0.8785 |
312 | PQK | 0.8784 |
313 | GFP | 0.8784 |
314 | RXA | 0.8782 |
315 | OA3 | 0.8782 |
316 | 5RO | 0.8781 |
317 | OTW | 0.8779 |
318 | 9ZE | 0.8778 |
319 | APS | 0.8776 |
320 | 8W9 | 0.8775 |
321 | D07 | 0.8774 |
322 | APZ | 0.8773 |
323 | OMD | 0.8769 |
324 | 25O | 0.8768 |
325 | B55 | 0.8767 |
326 | L98 | 0.8766 |
327 | 5JL | 0.8766 |
328 | R9Y | 0.8766 |
329 | 6R8 | 0.8766 |
330 | L8J | 0.8766 |
331 | MUA | 0.8765 |
332 | NQ | 0.8764 |
333 | 5JQ | 0.8764 |
334 | ASE | 0.8763 |
335 | 96U | 0.8761 |
336 | GCV | 0.8760 |
337 | W8G | 0.8758 |
338 | MVN | 0.8758 |
339 | J9W | 0.8755 |
340 | 55D | 0.8753 |
341 | HWH | 0.8753 |
342 | 5WN | 0.8752 |
343 | 0N7 | 0.8751 |
344 | JV4 | 0.8750 |
345 | 75K | 0.8750 |
346 | 3C1 | 0.8749 |
347 | HHR | 0.8746 |
348 | 6DP | 0.8744 |
349 | 2UZ | 0.8742 |
350 | I3A | 0.8736 |
351 | LP8 | 0.8735 |
352 | GCB | 0.8734 |
353 | 7M2 | 0.8733 |
354 | 5WX | 0.8733 |
355 | 0GY | 0.8731 |
356 | KDO | 0.8731 |
357 | GLC | 0.8731 |
358 | 5QX | 0.8728 |
359 | 57O | 0.8727 |
360 | 8VE | 0.8724 |
361 | 8IG | 0.8721 |
362 | TTY | 0.8719 |
363 | OSB | 0.8719 |
364 | NPA | 0.8717 |
365 | EGR | 0.8717 |
366 | M5K | 0.8716 |
367 | AJ2 | 0.8716 |
368 | NSG | 0.8712 |
369 | 6J9 | 0.8711 |
370 | MT8 | 0.8708 |
371 | T6Z | 0.8707 |
372 | OVP | 0.8707 |
373 | MUR | 0.8706 |
374 | GT0 | 0.8706 |
375 | AQO | 0.8705 |
376 | GL1 | 0.8704 |
377 | PX7 | 0.8704 |
378 | MEW | 0.8704 |
379 | F2W | 0.8703 |
380 | BN1 | 0.8701 |
381 | LFQ | 0.8700 |
382 | RM1 | 0.8697 |
383 | MB1 | 0.8693 |
384 | 8G0 | 0.8691 |
385 | EA1 | 0.8691 |
386 | CIT | 0.8689 |
387 | FLC | 0.8689 |
388 | N8Y | 0.8689 |
389 | IJZ | 0.8687 |
390 | EVA | 0.8687 |
391 | F31 | 0.8686 |
392 | DTE | 0.8682 |
393 | HJ7 | 0.8682 |
394 | GCU | 0.8682 |
395 | F0J | 0.8682 |
396 | 0W8 | 0.8681 |
397 | 39Z | 0.8680 |
398 | FWB | 0.8679 |
399 | MO8 | 0.8678 |
400 | BCU | 0.8677 |
401 | DIE | 0.8676 |
402 | C2U | 0.8672 |
403 | QM1 | 0.8671 |
404 | A9O | 0.8671 |
405 | 12B | 0.8669 |
406 | SLY | 0.8669 |
407 | BTY | 0.8668 |
408 | X09 | 0.8666 |
409 | NBG | 0.8663 |
410 | TTL | 0.8662 |
411 | MT5 | 0.8660 |
412 | 9KH | 0.8659 |
413 | K3Y | 0.8657 |
414 | M1Q | 0.8653 |
415 | K22 | 0.8653 |
416 | GI3 | 0.8652 |
417 | PLP | 0.8648 |
418 | QAT | 0.8647 |
419 | 61O | 0.8647 |
420 | 3C2 | 0.8646 |
421 | LI6 | 0.8646 |
422 | 64F | 0.8642 |
423 | ASC | 0.8641 |
424 | 2AK | 0.8639 |
425 | ET0 | 0.8636 |
426 | NBB | 0.8634 |
427 | A9P | 0.8633 |
428 | XDE | 0.8632 |
429 | 463 | 0.8630 |
430 | NCD | 0.8629 |
431 | K68 | 0.8627 |
432 | ZZ8 | 0.8624 |
433 | VKE | 0.8624 |
434 | PYQ | 0.8623 |
435 | A7W | 0.8621 |
436 | DIN | 0.8620 |
437 | PE0 | 0.8620 |
438 | AZ8 | 0.8618 |
439 | 4NO | 0.8617 |
440 | IOP | 0.8615 |
441 | 772 | 0.8615 |
442 | AZ9 | 0.8614 |
443 | AO6 | 0.8612 |
444 | B4O | 0.8610 |
445 | SNB | 0.8609 |
446 | 9KT | 0.8608 |
447 | 549 | 0.8605 |
448 | J01 | 0.8604 |
449 | G12 | 0.8603 |
450 | Q5M | 0.8598 |
451 | 657 | 0.8598 |
452 | MRW | 0.8595 |
453 | GM7 | 0.8594 |
454 | CE2 | 0.8594 |
455 | LT3 | 0.8594 |
456 | KT7 | 0.8592 |
457 | TNL | 0.8591 |
458 | TQL | 0.8589 |
459 | PH3 | 0.8585 |
460 | HHH | 0.8583 |
461 | MST | 0.8583 |
462 | C8O | 0.8582 |
463 | FUD | 0.8575 |
464 | GJS | 0.8574 |
465 | PFL | 0.8567 |
466 | DPZ | 0.8561 |
467 | GLO | 0.8560 |
468 | L5E | 0.8557 |
469 | IPB | 0.8557 |
470 | R9G | 0.8557 |
471 | F5C | 0.8546 |
472 | JG8 | 0.8544 |
473 | SWA | 0.8542 |
474 | SY4 | 0.8542 |
475 | PA5 | 0.8535 |
476 | AC2 | 0.8528 |
477 | MVL | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 4yc9.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5I8G | 69E | 25.5435 |
2 | 6GYT | GLY LEU GLY ALY GLY GLY ALA ALY ALA | 29.1925 |
3 | 6J3O | B4L | 34.2857 |
4 | 5XXH | E0D | 35.3383 |
5 | 4UYE | 9F9 | 35.5932 |
6 | 4BJX | 73B | 36.6013 |
7 | 6J3P | B8O | 38.5185 |
8 | 5N18 | 8HZ | 44.0367 |
9 | 4XUB | 43D | 44.4444 |