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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 6 families. | |||||
1 | 1BX4 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
2 | 2I6B | ic50 = 68 nM | 89I | C23 H24 N6 O | CN(C)c1ccc.... |
3 | 4O1L | ic50 = 0.2 uM | HO4 | C13 H14 N4 O4 | C#Cc1cn(c2.... |
4 | 2I6A | ic50 = 0.9 nM | 5I5 | C11 H13 I N4 O3 | C[C@@H]1[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2AA0 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
2 | 2ABS | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
3 | 1DGM | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
4 | 1LIJ | - | RPP | C10 H14 I N5 O4 | c1nc(c2c(n.... |
5 | 1LII | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
6 | 2AB8 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
7 | 1BX4 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
8 | 2I6B | ic50 = 68 nM | 89I | C23 H24 N6 O | CN(C)c1ccc.... |
9 | 4O1L | ic50 = 0.2 uM | HO4 | C13 H14 N4 O4 | C#Cc1cn(c2.... |
10 | 2I6A | ic50 = 0.9 nM | 5I5 | C11 H13 I N4 O3 | C[C@@H]1[C.... |
11 | 3LOO | Ki = 860 nM | B4P | C20 H28 N10 O19 P4 | c1nc(c2c(n.... |
12 | 3OTX | ic50 = 29.4 uM | AP5 | C20 H29 N10 O22 P5 | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RPP | 0.9707 |
2 | HO4 | 0.9694 |
3 | 7CI | 0.9605 |
4 | ADN | 0.9604 |
5 | TO1 | 0.9566 |
6 | ARJ | 0.9563 |
7 | NOC | 0.9563 |
8 | 5FD | 0.9472 |
9 | 5CD | 0.9464 |
10 | 9DI | 0.9458 |
11 | A4D | 0.9458 |
12 | 3D1 | 0.9458 |
13 | NOS | 0.9452 |
14 | TBN | 0.9450 |
15 | GMP | 0.9448 |
16 | MG7 | 0.9441 |
17 | 5N5 | 0.9435 |
18 | IMH | 0.9434 |
19 | AD3 | 0.9419 |
20 | 1DA | 0.9416 |
21 | 8OX | 0.9411 |
22 | A | 0.9409 |
23 | FMC | 0.9395 |
24 | CC5 | 0.9390 |
25 | SGV | 0.9371 |
26 | F01 | 0.9371 |
27 | UA2 | 0.9366 |
28 | XYA | 0.9360 |
29 | BBY | 0.9358 |
30 | MDR | 0.9357 |
31 | PRH | 0.9341 |
32 | HPR | 0.9329 |
33 | MTA | 0.9317 |
34 | FMB | 0.9316 |
35 | 9CE | 0.9312 |
36 | CL9 | 0.9310 |
37 | 6MD | 0.9298 |
38 | KF5 | 0.9285 |
39 | IMG | 0.9269 |
40 | FM1 | 0.9267 |
41 | FM2 | 0.9266 |
42 | 2FA | 0.9261 |
43 | MTP | 0.9250 |
44 | 4UO | 0.9246 |
45 | GNG | 0.9243 |
46 | AVX | 0.9237 |
47 | 3BH | 0.9237 |
48 | 3AD | 0.9232 |
49 | PUR | 0.9227 |
50 | 6CR | 0.9220 |
51 | 5F1 | 0.9214 |
52 | MTH | 0.9212 |
53 | CFE | 0.9208 |
54 | 5UD | 0.9205 |
55 | Y3J | 0.9203 |
56 | RAB | 0.9200 |
57 | ZJB | 0.9186 |
58 | 5NB | 0.9185 |
59 | NWW | 0.9181 |
60 | 7L4 | 0.9180 |
61 | DXK | 0.9178 |
62 | MTI | 0.9174 |
63 | 2QU | 0.9151 |
64 | 3DT | 0.9148 |
65 | 96Z | 0.9143 |
66 | H7S | 0.9131 |
67 | F40 | 0.9128 |
68 | 5NN | 0.9128 |
69 | 7D7 | 0.9126 |
70 | TRP | 0.9110 |
71 | 26A | 0.9107 |
72 | 9UL | 0.9106 |
73 | AFX | 0.9090 |
74 | CTN | 0.9087 |
75 | THM | 0.9082 |
76 | CTE | 0.9081 |
77 | XIF XYP | 0.9074 |
78 | FHI | 0.9067 |
79 | RFZ | 0.9062 |
80 | MCY | 0.9062 |
81 | EXL | 0.9059 |
82 | 4GU | 0.9057 |
83 | B86 | 0.9046 |
84 | 22L | 0.9045 |
85 | 92O | 0.9044 |
86 | LVY | 0.9043 |
87 | 2LT | 0.9042 |
88 | LL1 | 0.9039 |
89 | 8HG | 0.9038 |
90 | 5E5 | 0.9038 |
91 | ZYV | 0.9035 |
92 | XYP XIF | 0.9034 |
93 | XTS | 0.9033 |
94 | 6PB | 0.9030 |
95 | NNR | 0.9025 |
96 | URI | 0.9019 |
97 | 3GX | 0.9018 |
98 | XDL XYP | 0.9016 |
99 | XIL | 0.9015 |
100 | MZR | 0.9011 |
101 | MPU | 0.9006 |
102 | XYP XDN | 0.9002 |
103 | MCF | 0.9001 |
104 | M02 | 0.9000 |
105 | 5V7 | 0.8998 |
106 | TIA | 0.8996 |
107 | TMC | 0.8994 |
108 | LLT | 0.8993 |
109 | 6J3 | 0.8992 |
110 | CDY | 0.8992 |
111 | XDN XYP | 0.8992 |
112 | SCT | 0.8991 |
113 | P4L | 0.8990 |
114 | XFE | 0.8990 |
115 | XYS XYP | 0.8989 |
116 | 6DQ | 0.8982 |
117 | P2L | 0.8981 |
118 | DBM | 0.8981 |
119 | 2FD | 0.8974 |
120 | KP2 | 0.8974 |
121 | ZRL | 0.8973 |
122 | 5P3 | 0.8970 |
123 | TAL | 0.8968 |
124 | H4B | 0.8968 |
125 | 5JT | 0.8967 |
126 | TGW | 0.8967 |
127 | 2D2 | 0.8957 |
128 | 5BT | 0.8955 |
129 | KW7 | 0.8953 |
130 | XYP XYP | 0.8953 |
131 | 3WN | 0.8949 |
132 | 3WO | 0.8949 |
133 | LWS | 0.8949 |
134 | 5MD | 0.8942 |
135 | S0G | 0.8942 |
136 | MXD | 0.8940 |
137 | XYS XYS | 0.8938 |
138 | 0OK | 0.8936 |
139 | H2B | 0.8935 |
140 | ZYW | 0.8935 |
141 | DCF | 0.8933 |
142 | 3IL | 0.8929 |
143 | HBI | 0.8929 |
144 | 3RP | 0.8927 |
145 | 0DN | 0.8926 |
146 | NYJ | 0.8924 |
147 | ID8 | 0.8923 |
148 | VT3 | 0.8916 |
149 | 1Q4 | 0.8915 |
150 | 78U | 0.8913 |
151 | M3W | 0.8912 |
152 | GPK | 0.8910 |
153 | DCZ | 0.8910 |
154 | Q4G | 0.8909 |
155 | EF2 | 0.8909 |
156 | 4Z9 | 0.8908 |
157 | 3D8 | 0.8906 |
158 | Y70 | 0.8904 |
159 | GA2 | 0.8903 |
160 | 9FH | 0.8902 |
161 | JF8 | 0.8901 |
162 | ZIQ | 0.8899 |
163 | B5A | 0.8899 |
164 | M5H | 0.8899 |
165 | DK4 | 0.8894 |
166 | TLF | 0.8893 |
167 | YE6 | 0.8889 |
168 | 3L1 | 0.8887 |
169 | DBS | 0.8887 |
170 | X29 | 0.8886 |
171 | NE1 | 0.8884 |
172 | KOM | 0.8884 |
173 | 25F | 0.8883 |
174 | 3AK | 0.8883 |
175 | 5E4 | 0.8882 |
176 | GPQ | 0.8881 |
177 | DFL | 0.8880 |
178 | 8HH | 0.8879 |
179 | 8D6 | 0.8878 |
180 | ABJ | 0.8877 |
181 | C93 | 0.8877 |
182 | 0GA | 0.8875 |
183 | Z15 | 0.8874 |
184 | WCU | 0.8874 |
185 | 2GQ | 0.8873 |
186 | NEU | 0.8870 |
187 | BIE | 0.8866 |
188 | TJM | 0.8866 |
189 | WLH | 0.8864 |
190 | 1V1 | 0.8864 |
191 | 7AP | 0.8863 |
192 | A73 | 0.8862 |
193 | 3WJ | 0.8862 |
194 | 1V4 | 0.8860 |
195 | CMU | 0.8859 |
196 | EXR | 0.8858 |
197 | X48 | 0.8856 |
198 | Z57 | 0.8856 |
199 | MFR | 0.8856 |
200 | FWD | 0.8855 |
201 | ZSP | 0.8854 |
202 | C4E | 0.8854 |
203 | UX0 | 0.8854 |
204 | EV2 | 0.8853 |
205 | NWQ | 0.8852 |
206 | SZ5 | 0.8852 |
207 | C0H | 0.8851 |
208 | 3F4 | 0.8851 |
209 | DTR | 0.8851 |
210 | 96R | 0.8851 |
211 | 1FL | 0.8850 |
212 | PE2 | 0.8849 |
213 | XYP AHR | 0.8849 |
214 | 4FF | 0.8849 |
215 | WVV | 0.8849 |
216 | 3JC | 0.8848 |
217 | 4GP | 0.8846 |
218 | 20D | 0.8846 |
219 | A4V | 0.8844 |
220 | A4N | 0.8840 |
221 | RBV | 0.8840 |
222 | 5P7 | 0.8840 |
223 | 7VF | 0.8839 |
224 | 1V3 | 0.8838 |
225 | XYP XYS | 0.8838 |
226 | 7ZL | 0.8837 |
227 | H70 | 0.8836 |
228 | RVE | 0.8835 |
229 | BIO | 0.8835 |
230 | ITW | 0.8834 |
231 | HH6 | 0.8833 |
232 | 54X | 0.8831 |
233 | 4OG | 0.8831 |
234 | 57D | 0.8829 |
235 | 6J9 | 0.8829 |
236 | CC6 | 0.8827 |
237 | ETV | 0.8827 |
238 | 4K2 | 0.8825 |
239 | KWB | 0.8822 |
240 | CU8 | 0.8822 |
241 | NAR | 0.8821 |
242 | EAT | 0.8821 |
243 | AJ4 | 0.8820 |
244 | 6EL | 0.8820 |
245 | 4NR | 0.8816 |
246 | PVQ | 0.8815 |
247 | ZRK | 0.8814 |
248 | FCD | 0.8813 |
249 | DKZ | 0.8813 |
250 | OUB | 0.8808 |
251 | PVK | 0.8808 |
252 | M01 | 0.8808 |
253 | 4P8 | 0.8807 |
254 | 1KN | 0.8807 |
255 | IQW | 0.8807 |
256 | LTN | 0.8806 |
257 | NEO | 0.8803 |
258 | 3DH | 0.8803 |
259 | CJZ | 0.8803 |
260 | 13A | 0.8801 |
261 | TCC | 0.8799 |
262 | 272 | 0.8798 |
263 | THU | 0.8796 |
264 | LJ3 | 0.8796 |
265 | BHS | 0.8795 |
266 | CJB | 0.8793 |
267 | 3WK | 0.8793 |
268 | P9I | 0.8792 |
269 | EXX | 0.8789 |
270 | DKX | 0.8786 |
271 | OX2 | 0.8786 |
272 | 363 | 0.8785 |
273 | 5C1 | 0.8782 |
274 | G14 | 0.8782 |
275 | CUH | 0.8780 |
276 | MIL | 0.8779 |
277 | A4G | 0.8779 |
278 | 38B | 0.8779 |
279 | 8DA | 0.8778 |
280 | 0J4 | 0.8778 |
281 | 3Y7 | 0.8776 |
282 | B52 | 0.8775 |
283 | QME | 0.8773 |
284 | JOB | 0.8773 |
285 | TI7 | 0.8773 |
286 | 4AB | 0.8773 |
287 | AHU | 0.8772 |
288 | AUV | 0.8772 |
289 | 0SY | 0.8771 |
290 | AOJ | 0.8769 |
291 | 2JX | 0.8769 |
292 | B2L | 0.8768 |
293 | ZEB | 0.8768 |
294 | 9E3 | 0.8768 |
295 | Q0K | 0.8767 |
296 | BWD | 0.8766 |
297 | 89J | 0.8766 |
298 | AVA | 0.8766 |
299 | DTE | 0.8764 |
300 | MEX | 0.8764 |
301 | ZAS | 0.8763 |
302 | GZV | 0.8763 |
303 | PBQ | 0.8762 |
304 | BQ5 | 0.8762 |
305 | 6QT | 0.8761 |
306 | JFS | 0.8761 |
307 | Q9G | 0.8760 |
308 | L3L | 0.8760 |
309 | XZ8 | 0.8757 |
310 | 17C | 0.8757 |
311 | 6DE | 0.8756 |
312 | L5D | 0.8756 |
313 | CP6 | 0.8752 |
314 | X2M | 0.8751 |
315 | AGI | 0.8750 |
316 | DE7 | 0.8749 |
317 | 42R | 0.8749 |
318 | 0UL | 0.8749 |
319 | 64I | 0.8748 |
320 | 1ZC | 0.8748 |
321 | PCQ | 0.8747 |
322 | W29 | 0.8746 |
323 | 25O | 0.8746 |
324 | 6GP | 0.8745 |
325 | K80 | 0.8744 |
326 | IWD | 0.8744 |
327 | RVD | 0.8744 |
328 | EP4 | 0.8739 |
329 | 7M5 | 0.8738 |
330 | 4L2 | 0.8738 |
331 | CGW | 0.8737 |
332 | X6P | 0.8735 |
333 | 7EH | 0.8733 |
334 | 6J5 | 0.8732 |
335 | AJD | 0.8729 |
336 | HA6 | 0.8729 |
337 | 3VW | 0.8727 |
338 | IQQ | 0.8727 |
339 | WOE | 0.8727 |
340 | 3B4 | 0.8724 |
341 | FCW | 0.8724 |
342 | CWD | 0.8724 |
343 | B4O | 0.8721 |
344 | NKI | 0.8721 |
345 | F4U | 0.8721 |
346 | KMP | 0.8720 |
347 | NIR | 0.8720 |
348 | 0DF | 0.8719 |
349 | CQW | 0.8718 |
350 | CPW | 0.8718 |
351 | QQY | 0.8714 |
352 | LR2 | 0.8714 |
353 | KYN | 0.8713 |
354 | GXD | 0.8713 |
355 | H75 | 0.8712 |
356 | FT6 | 0.8711 |
357 | NFK | 0.8709 |
358 | QQX | 0.8709 |
359 | 2UD | 0.8708 |
360 | BP7 | 0.8707 |
361 | XEV | 0.8705 |
362 | 51Y | 0.8703 |
363 | M77 | 0.8703 |
364 | EZN | 0.8702 |
365 | X0T | 0.8701 |
366 | JGB | 0.8698 |
367 | GN6 | 0.8698 |
368 | 2GD | 0.8697 |
369 | JR2 | 0.8696 |
370 | AKD | 0.8693 |
371 | JO5 | 0.8693 |
372 | 43S | 0.8692 |
373 | CUT | 0.8692 |
374 | A7K | 0.8691 |
375 | 53X | 0.8690 |
376 | LI4 | 0.8690 |
377 | NTF | 0.8689 |
378 | ACK | 0.8687 |
379 | IFM BGC | 0.8685 |
380 | 6ZW | 0.8683 |
381 | B61 | 0.8681 |
382 | QZ8 | 0.8680 |
383 | C2M | 0.8680 |
384 | B21 | 0.8679 |
385 | W23 | 0.8678 |
386 | ACE TRP | 0.8672 |
387 | 7FZ | 0.8671 |
388 | 3DE | 0.8671 |
389 | AWE | 0.8668 |
390 | 78P | 0.8668 |
391 | GLC GAL | 0.8667 |
392 | 43U | 0.8666 |
393 | HVE | 0.8665 |
394 | TR4 | 0.8663 |
395 | BP3 | 0.8659 |
396 | 8OB | 0.8657 |
397 | GEN | 0.8657 |
398 | NIY | 0.8657 |
399 | MMS | 0.8654 |
400 | E9S | 0.8653 |
401 | PLP | 0.8652 |
402 | APS | 0.8652 |
403 | FUZ | 0.8647 |
404 | ELH | 0.8646 |
405 | 26C | 0.8645 |
406 | TOP | 0.8645 |
407 | 27M | 0.8643 |
408 | BGC GAL | 0.8642 |
409 | NXB | 0.8642 |
410 | 54E | 0.8641 |
411 | 1QV | 0.8641 |
412 | 2QV | 0.8640 |
413 | 1SF | 0.8639 |
414 | J47 | 0.8638 |
415 | AUG | 0.8638 |
416 | RSV | 0.8638 |
417 | NWD | 0.8635 |
418 | TCL | 0.8634 |
419 | B2T | 0.8632 |
420 | HWD | 0.8631 |
421 | MOK | 0.8630 |
422 | MUR | 0.8630 |
423 | BGC OXZ | 0.8625 |
424 | IFM BMA | 0.8624 |
425 | LP8 | 0.8624 |
426 | RVB | 0.8624 |
427 | 0OL | 0.8622 |
428 | GFE | 0.8621 |
429 | EZB | 0.8615 |
430 | N1E | 0.8614 |
431 | 0FR | 0.8614 |
432 | LU2 | 0.8611 |
433 | SY4 | 0.8611 |
434 | 5WN | 0.8610 |
435 | BZE | 0.8606 |
436 | Z8B | 0.8606 |
437 | AC2 | 0.8600 |
438 | MUK | 0.8600 |
439 | 8OE | 0.8596 |
440 | 4EU | 0.8594 |
441 | A4T | 0.8591 |
442 | EVO | 0.8590 |
443 | VM1 | 0.8587 |
444 | XCG | 0.8579 |
445 | AZZ | 0.8574 |
446 | DAH | 0.8573 |
447 | PQS | 0.8572 |
448 | 5AE | 0.8567 |
449 | NE2 | 0.8563 |
450 | NPL | 0.8561 |
451 | H52 | 0.8559 |
452 | 145 | 0.8558 |
453 | QUE | 0.8550 |
454 | 1CY | 0.8546 |
455 | T1N | 0.8546 |
456 | 4R1 | 0.8544 |
457 | 2LX | 0.8540 |
458 | NPS | 0.8537 |
459 | NEC | 0.8534 |
460 | XDH | 0.8533 |
461 | 0ON | 0.8525 |
462 | 5DE | 0.8524 |
463 | AMR | 0.8523 |
464 | BGC BGC | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 2i6a.bio3) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2i6a.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2i6a.bio4) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2i6a.bio2) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |