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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 2 families. | |||||
1 | 2NM3 | - | MPU | C9 H11 N5 O4 | c1c(nc2c(n.... |
2 | 1RRW | ic50 = 28 uM | 9MG | C6 H7 N5 O | Cn1cnc2c1n.... |
3 | 1RSD | ic50 = 0.3 uM | PSB | C25 H21 N7 O3 S | c1ccc(c(c1.... |
4 | 2DHN | - | PH2 | C7 H9 N5 O2 | C1C(=NC2=C.... |
5 | 1RRI | ic50 = 1.5 uM | A45 | C11 H8 N6 O3 | c1cc(cc(c1.... |
6 | 1RSI | ic50 = 38 uM | 977 | C10 H8 Br N3 O | c1ccc(cc1).... |
7 | 2NM2 | - | NEU | C9 H11 N5 O4 | c1c(nc2c(n.... |
8 | 1RS2 | ic50 = 50 uM | 209 | C7 H9 N5 O2 | CN1c2c(nc(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1SQL | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
2 | 2NM3 | - | MPU | C9 H11 N5 O4 | c1c(nc2c(n.... |
3 | 1RRW | ic50 = 28 uM | 9MG | C6 H7 N5 O | Cn1cnc2c1n.... |
4 | 1RSD | ic50 = 0.3 uM | PSB | C25 H21 N7 O3 S | c1ccc(c(c1.... |
5 | 2DHN | - | PH2 | C7 H9 N5 O2 | C1C(=NC2=C.... |
6 | 1RRI | ic50 = 1.5 uM | A45 | C11 H8 N6 O3 | c1cc(cc(c1.... |
7 | 1RSI | ic50 = 38 uM | 977 | C10 H8 Br N3 O | c1ccc(cc1).... |
8 | 2NM2 | - | NEU | C9 H11 N5 O4 | c1c(nc2c(n.... |
9 | 1RS2 | ic50 = 50 uM | 209 | C7 H9 N5 O2 | CN1c2c(nc(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BHS | 0.9729 |
2 | ZSP | 0.9718 |
3 | H4B | 0.9706 |
4 | 7AP | 0.9701 |
5 | H2B | 0.9678 |
6 | HBI | 0.9657 |
7 | 4AB | 0.9571 |
8 | 0J2 | 0.9528 |
9 | DX2 | 0.9499 |
10 | 0J5 | 0.9498 |
11 | 0J4 | 0.9485 |
12 | NPS | 0.9442 |
13 | 7PJ | 0.9384 |
14 | AP6 | 0.9374 |
15 | GEN | 0.9359 |
16 | 5AD | 0.9358 |
17 | 8Y7 | 0.9345 |
18 | Z25 | 0.9339 |
19 | 0HY | 0.9326 |
20 | CHQ | 0.9326 |
21 | 2WU | 0.9289 |
22 | NPX | 0.9280 |
23 | T1N | 0.9276 |
24 | BGU | 0.9265 |
25 | B52 | 0.9254 |
26 | UAY | 0.9254 |
27 | 1V4 | 0.9243 |
28 | OA4 | 0.9242 |
29 | 7PS | 0.9241 |
30 | 0OK | 0.9239 |
31 | B61 | 0.9238 |
32 | CC5 | 0.9237 |
33 | Z17 | 0.9231 |
34 | YZ9 | 0.9229 |
35 | 3SU | 0.9224 |
36 | IXG | 0.9219 |
37 | 5V7 | 0.9218 |
38 | KF5 | 0.9213 |
39 | 0SY | 0.9212 |
40 | S98 | 0.9198 |
41 | RSV | 0.9184 |
42 | R4E | 0.9183 |
43 | 4NR | 0.9180 |
44 | M78 | 0.9175 |
45 | LUM | 0.9168 |
46 | TRP | 0.9152 |
47 | 2L2 | 0.9143 |
48 | OLU | 0.9132 |
49 | D64 | 0.9130 |
50 | ZRK | 0.9127 |
51 | WV7 | 0.9118 |
52 | ZHA | 0.9114 |
53 | HH6 | 0.9112 |
54 | 5VU | 0.9111 |
55 | TYP | 0.9110 |
56 | GW3 | 0.9105 |
57 | FNT | 0.9105 |
58 | CTE | 0.9102 |
59 | 1DR | 0.9100 |
60 | 14Z | 0.9099 |
61 | 4CN | 0.9099 |
62 | 92O | 0.9094 |
63 | 20D | 0.9092 |
64 | DFL | 0.9090 |
65 | F40 | 0.9085 |
66 | 9KZ | 0.9082 |
67 | FF2 | 0.9079 |
68 | 3F4 | 0.9079 |
69 | 39Z | 0.9078 |
70 | AC2 | 0.9074 |
71 | 2K8 | 0.9071 |
72 | H4B NO | 0.9071 |
73 | 1V1 | 0.9070 |
74 | 2QU | 0.9066 |
75 | SZ5 | 0.9065 |
76 | 2JX | 0.9064 |
77 | W23 | 0.9063 |
78 | EQU | 0.9057 |
79 | EST | 0.9055 |
80 | MDR | 0.9053 |
81 | PRL | 0.9052 |
82 | 96Z | 0.9050 |
83 | NAL | 0.9049 |
84 | CX6 | 0.9049 |
85 | 3L1 | 0.9048 |
86 | 0UL | 0.9046 |
87 | SJK | 0.9038 |
88 | 1Q4 | 0.9032 |
89 | DX6 | 0.9032 |
90 | HFT | 0.9030 |
91 | WG8 | 0.9029 |
92 | WLH | 0.9028 |
93 | THM | 0.9021 |
94 | E1K | 0.9020 |
95 | BXS | 0.9014 |
96 | RGK | 0.9014 |
97 | 5F1 | 0.9013 |
98 | DBS | 0.9013 |
99 | GNG | 0.9010 |
100 | K7H | 0.9009 |
101 | 25F | 0.9008 |
102 | UN9 | 0.9007 |
103 | 5E5 | 0.9005 |
104 | EUE | 0.9002 |
105 | XTS | 0.8996 |
106 | 6FB | 0.8996 |
107 | GA2 | 0.8995 |
108 | KLV | 0.8989 |
109 | 3D1 | 0.8989 |
110 | 8OX | 0.8985 |
111 | A73 | 0.8985 |
112 | YE6 | 0.8983 |
113 | 0DF | 0.8983 |
114 | AQN | 0.8982 |
115 | 8HG | 0.8977 |
116 | X04 | 0.8976 |
117 | 5ER | 0.8969 |
118 | S0D | 0.8968 |
119 | JVD | 0.8965 |
120 | X0T | 0.8964 |
121 | D9Z | 0.8964 |
122 | X2M | 0.8963 |
123 | A5Q | 0.8962 |
124 | FMB | 0.8962 |
125 | FMC | 0.8961 |
126 | ITE | 0.8959 |
127 | 3AD | 0.8957 |
128 | JRO | 0.8956 |
129 | 5XL | 0.8955 |
130 | 5WS | 0.8954 |
131 | LFN | 0.8954 |
132 | FT6 | 0.8952 |
133 | 22T | 0.8952 |
134 | S60 | 0.8950 |
135 | ETV | 0.8948 |
136 | ADN | 0.8946 |
137 | CDY | 0.8945 |
138 | YE7 | 0.8943 |
139 | PH2 | 0.8943 |
140 | 3N1 | 0.8936 |
141 | AMR | 0.8936 |
142 | ZYQ | 0.8934 |
143 | M77 | 0.8933 |
144 | B5A | 0.8933 |
145 | GZV | 0.8932 |
146 | 2QV | 0.8929 |
147 | EYY | 0.8928 |
148 | 7EH | 0.8928 |
149 | 5XK | 0.8925 |
150 | SYE | 0.8925 |
151 | TBN | 0.8924 |
152 | QIV | 0.8922 |
153 | 0FR | 0.8920 |
154 | DE7 | 0.8918 |
155 | M9K | 0.8918 |
156 | FY8 | 0.8917 |
157 | 4L2 | 0.8916 |
158 | N1E | 0.8913 |
159 | 159 | 0.8912 |
160 | J3Z | 0.8909 |
161 | CL9 | 0.8908 |
162 | HRM | 0.8908 |
163 | VUP | 0.8907 |
164 | NRA | 0.8907 |
165 | 5XM | 0.8907 |
166 | C0V | 0.8905 |
167 | PLP | 0.8905 |
168 | 5WT | 0.8903 |
169 | 2J1 | 0.8902 |
170 | ZEC | 0.8902 |
171 | GO8 | 0.8902 |
172 | 2FD | 0.8900 |
173 | 8DA | 0.8898 |
174 | 833 | 0.8898 |
175 | 1FE | 0.8896 |
176 | 17M | 0.8896 |
177 | 1QV | 0.8895 |
178 | KMY | 0.8892 |
179 | XIF XYP | 0.8890 |
180 | PMP | 0.8887 |
181 | 0LA | 0.8887 |
182 | 657 | 0.8884 |
183 | 0NJ | 0.8883 |
184 | RAB | 0.8882 |
185 | 9BF | 0.8881 |
186 | B56 | 0.8880 |
187 | JF8 | 0.8876 |
188 | XYS XYP | 0.8876 |
189 | RKY | 0.8876 |
190 | EUH | 0.8875 |
191 | H0V | 0.8874 |
192 | 1EB | 0.8874 |
193 | HA6 | 0.8873 |
194 | LTN | 0.8871 |
195 | 5I5 | 0.8870 |
196 | JY2 | 0.8869 |
197 | HRD | 0.8868 |
198 | CG | 0.8868 |
199 | FM1 | 0.8867 |
200 | XYP XIF | 0.8866 |
201 | 5B2 | 0.8866 |
202 | MUX | 0.8865 |
203 | B2E | 0.8865 |
204 | 7MX | 0.8864 |
205 | RVE | 0.8862 |
206 | GNR | 0.8862 |
207 | 0DN | 0.8861 |
208 | KU1 | 0.8859 |
209 | IMH | 0.8859 |
210 | M1D | 0.8859 |
211 | WS6 | 0.8858 |
212 | G30 | 0.8858 |
213 | WS7 | 0.8856 |
214 | 1SF | 0.8855 |
215 | 5WN | 0.8854 |
216 | MFR | 0.8853 |
217 | GJW | 0.8850 |
218 | G6P | 0.8850 |
219 | 4HG | 0.8848 |
220 | 5SJ | 0.8847 |
221 | LOT | 0.8845 |
222 | F5C | 0.8844 |
223 | DIH | 0.8842 |
224 | GMP | 0.8838 |
225 | 5WK | 0.8837 |
226 | 6MD | 0.8837 |
227 | TMC | 0.8830 |
228 | HPR | 0.8824 |
229 | PRH | 0.8824 |
230 | SCE | 0.8821 |
231 | N2M | 0.8821 |
232 | MQU | 0.8820 |
233 | 2UD | 0.8819 |
234 | NOS | 0.8818 |
235 | NIY | 0.8817 |
236 | EVO | 0.8816 |
237 | 2AX | 0.8813 |
238 | 1HR | 0.8812 |
239 | 2FX | 0.8812 |
240 | BHM | 0.8807 |
241 | ZEA | 0.8807 |
242 | 4UM | 0.8805 |
243 | IOP | 0.8801 |
244 | MUR | 0.8800 |
245 | 1AJ | 0.8797 |
246 | IMG | 0.8797 |
247 | 2L1 | 0.8796 |
248 | 2P3 | 0.8795 |
249 | 9DI | 0.8794 |
250 | SG2 | 0.8793 |
251 | WDW | 0.8792 |
252 | D1G | 0.8792 |
253 | 1BW | 0.8792 |
254 | 1DA | 0.8791 |
255 | GI2 | 0.8791 |
256 | EZL | 0.8791 |
257 | J1K | 0.8790 |
258 | JFS | 0.8790 |
259 | E9S | 0.8790 |
260 | DTE | 0.8789 |
261 | 4Z1 | 0.8789 |
262 | 78U | 0.8789 |
263 | 7FU | 0.8788 |
264 | 3TC | 0.8787 |
265 | ZW2 | 0.8787 |
266 | MTP | 0.8787 |
267 | 5N5 | 0.8784 |
268 | KYN | 0.8783 |
269 | ITW | 0.8782 |
270 | 1OT | 0.8782 |
271 | 5M2 | 0.8780 |
272 | A | 0.8780 |
273 | XYA | 0.8778 |
274 | ADL | 0.8778 |
275 | AD3 | 0.8777 |
276 | XYS XYS | 0.8777 |
277 | 78P | 0.8774 |
278 | 5S9 | 0.8774 |
279 | JY4 | 0.8773 |
280 | PE2 | 0.8773 |
281 | 51P | 0.8773 |
282 | 6L6 | 0.8772 |
283 | I2E | 0.8770 |
284 | 4Z9 | 0.8766 |
285 | 856 | 0.8766 |
286 | M6P | 0.8765 |
287 | 5FD | 0.8763 |
288 | RDT | 0.8762 |
289 | LI7 | 0.8762 |
290 | D87 | 0.8762 |
291 | NAR | 0.8762 |
292 | 3IL | 0.8755 |
293 | HNT | 0.8755 |
294 | BG6 | 0.8754 |
295 | B0K | 0.8754 |
296 | GXG | 0.8754 |
297 | 7D7 | 0.8753 |
298 | ZEZ | 0.8752 |
299 | BC3 | 0.8751 |
300 | 3AK | 0.8750 |
301 | NPA | 0.8749 |
302 | AVX | 0.8747 |
303 | 4R1 | 0.8745 |
304 | DTR | 0.8743 |
305 | EMO | 0.8741 |
306 | ARJ | 0.8741 |
307 | XG1 | 0.8741 |
308 | 3N0 | 0.8739 |
309 | 5C1 | 0.8737 |
310 | ESJ | 0.8735 |
311 | L3L | 0.8735 |
312 | CX5 | 0.8734 |
313 | MN QAY | 0.8734 |
314 | A4D | 0.8733 |
315 | AWE | 0.8730 |
316 | GI4 | 0.8730 |
317 | 4EU | 0.8730 |
318 | C09 | 0.8729 |
319 | JO5 | 0.8728 |
320 | EEK | 0.8727 |
321 | IL5 | 0.8726 |
322 | NOC | 0.8725 |
323 | NK5 | 0.8724 |
324 | UA2 | 0.8724 |
325 | BGN | 0.8722 |
326 | JPB | 0.8722 |
327 | ZIQ | 0.8718 |
328 | ZYV | 0.8717 |
329 | 2FA | 0.8717 |
330 | QNM | 0.8714 |
331 | 9FG | 0.8712 |
332 | A8D | 0.8712 |
333 | NPL | 0.8712 |
334 | EAE | 0.8711 |
335 | 5TY | 0.8710 |
336 | LTT | 0.8708 |
337 | 7A9 | 0.8705 |
338 | 27K | 0.8705 |
339 | MQR | 0.8703 |
340 | 1ZC | 0.8703 |
341 | PIC | 0.8702 |
342 | 3Y7 | 0.8702 |
343 | A05 | 0.8701 |
344 | JOV | 0.8701 |
345 | JYK | 0.8699 |
346 | YF3 | 0.8699 |
347 | 3BH | 0.8699 |
348 | 092 | 0.8698 |
349 | MTA | 0.8697 |
350 | SKF | 0.8697 |
351 | 8EQ | 0.8695 |
352 | DT7 | 0.8695 |
353 | AHU | 0.8694 |
354 | LWA | 0.8693 |
355 | JA5 | 0.8692 |
356 | FM2 | 0.8690 |
357 | GVI | 0.8688 |
358 | 28A | 0.8688 |
359 | BDI | 0.8687 |
360 | ASE | 0.8684 |
361 | GLP | 0.8684 |
362 | MQG | 0.8682 |
363 | 26A | 0.8681 |
364 | H52 | 0.8680 |
365 | OA1 | 0.8680 |
366 | V13 | 0.8680 |
367 | 4YE | 0.8679 |
368 | MTH | 0.8675 |
369 | K8Y | 0.8674 |
370 | TQ4 | 0.8674 |
371 | PLR | 0.8673 |
372 | 88R | 0.8673 |
373 | ZYW | 0.8672 |
374 | 6ZW | 0.8671 |
375 | F91 | 0.8669 |
376 | BBY | 0.8667 |
377 | L03 | 0.8667 |
378 | BNX | 0.8666 |
379 | K74 | 0.8666 |
380 | SNV | 0.8666 |
381 | JHY | 0.8665 |
382 | STV | 0.8665 |
383 | HWH | 0.8664 |
384 | 2KU | 0.8664 |
385 | 5JT | 0.8663 |
386 | D1Y | 0.8662 |
387 | XYP XDN | 0.8660 |
388 | JTA | 0.8660 |
389 | MPP | 0.8658 |
390 | 3D3 | 0.8656 |
391 | 8RK | 0.8654 |
392 | MTM | 0.8654 |
393 | PZ8 | 0.8651 |
394 | D80 | 0.8650 |
395 | ANC | 0.8649 |
396 | XDN XYP | 0.8647 |
397 | D8Q | 0.8642 |
398 | QUB | 0.8642 |
399 | FTU | 0.8641 |
400 | 5UD | 0.8641 |
401 | 6QF | 0.8637 |
402 | Q5M | 0.8636 |
403 | NWW | 0.8634 |
404 | DNQ | 0.8633 |
405 | ET0 | 0.8632 |
406 | 1Q1 | 0.8629 |
407 | JXT | 0.8626 |
408 | EB5 | 0.8625 |
409 | 6CR | 0.8625 |
410 | KWV | 0.8624 |
411 | DCF | 0.8621 |
412 | S7G | 0.8619 |
413 | 5ID | 0.8618 |
414 | JA3 | 0.8618 |
415 | S0A | 0.8617 |
416 | JF2 | 0.8616 |
417 | ZIP | 0.8612 |
418 | WA2 | 0.8609 |
419 | THU | 0.8606 |
420 | 6BC | 0.8605 |
421 | 109 | 0.8605 |
422 | 14N | 0.8604 |
423 | BQ2 | 0.8604 |
424 | EXL | 0.8603 |
425 | GXD | 0.8603 |
426 | 3JN | 0.8601 |
427 | 344 | 0.8598 |
428 | M01 | 0.8597 |
429 | B2L | 0.8596 |
430 | PUR | 0.8594 |
431 | 64F | 0.8591 |
432 | 4JV | 0.8589 |
433 | MUK | 0.8589 |
434 | 3WF | 0.8585 |
435 | K3D | 0.8584 |
436 | J38 | 0.8582 |
437 | ZYC | 0.8580 |
438 | CMP | 0.8580 |
439 | 5F7 | 0.8580 |
440 | KWB | 0.8578 |
441 | 28B | 0.8578 |
442 | Q9T | 0.8577 |
443 | GI1 | 0.8571 |
444 | 1A5 | 0.8564 |
445 | BVS | 0.8563 |
446 | ALE | 0.8561 |
447 | M4N | 0.8558 |
448 | IS2 | 0.8557 |
449 | AH9 | 0.8554 |
450 | 5TT | 0.8552 |
451 | AH6 | 0.8548 |
452 | A6P | 0.8547 |
453 | NXB | 0.8542 |
454 | C9M | 0.8539 |
455 | RFZ | 0.8529 |
456 | XYP XYS | 0.8525 |
457 | 3VQ | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |