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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 3 families. | |||||
1 | 4HMX | - | WUB | C13 H12 N2 O2 | c1ccc2c(c1.... |
2 | 4HMW | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4HMS | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
2 | 4HMV | - | WUB | C13 H12 N2 O2 | c1ccc2c(c1.... |
3 | 4HMU | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
4 | 1TY9 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
5 | 4HMT | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
6 | 1T9M | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
7 | 4HMX | - | WUB | C13 H12 N2 O2 | c1ccc2c(c1.... |
8 | 4HMW | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FMN | 1 | 1 |
2 | RBF | 0.75641 | 0.876712 |
3 | 9O9 | 0.574468 | 0.934211 |
4 | RS3 | 0.571429 | 0.831169 |
5 | FAD | 0.543307 | 0.876543 |
6 | FAS | 0.543307 | 0.876543 |
7 | FAE | 0.539062 | 0.865854 |
8 | UBG | 0.534351 | 0.888889 |
9 | 5DD | 0.475248 | 0.972603 |
10 | LFN | 0.475 | 0.643836 |
11 | C3F | 0.473684 | 0.74359 |
12 | CF4 | 0.463918 | 0.734177 |
13 | FAY | 0.446043 | 0.864198 |
14 | FNR | 0.444444 | 0.909091 |
15 | RFL | 0.442857 | 0.845238 |
16 | 4LS | 0.411215 | 0.875 |
17 | 1VY | 0.406593 | 0.769231 |
18 | DLZ | 0.404494 | 0.782051 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ANC | 0.9455 |
2 | 6QF | 0.9452 |
3 | GNV | 0.9433 |
4 | 2J2 | 0.9386 |
5 | JP2 | 0.9370 |
6 | 8G6 | 0.9359 |
7 | V2Z | 0.9351 |
8 | CNI | 0.9322 |
9 | KWH | 0.9315 |
10 | GNJ | 0.9310 |
11 | BZJ | 0.9305 |
12 | KW8 | 0.9291 |
13 | JTA | 0.9288 |
14 | F2W | 0.9256 |
15 | DNQ | 0.9249 |
16 | 5P3 | 0.9213 |
17 | 2JK | 0.9197 |
18 | 3J8 | 0.9196 |
19 | X11 | 0.9191 |
20 | P9I | 0.9191 |
21 | KWQ | 0.9174 |
22 | BIK | 0.9172 |
23 | ZME | 0.9153 |
24 | GNY | 0.9153 |
25 | 2LW | 0.9149 |
26 | MNX | 0.9143 |
27 | DK1 | 0.9141 |
28 | 982 | 0.9135 |
29 | 7I2 | 0.9131 |
30 | GNM | 0.9128 |
31 | EV2 | 0.9123 |
32 | 6TJ | 0.9119 |
33 | 28A | 0.9117 |
34 | 344 | 0.9111 |
35 | BGU | 0.9110 |
36 | HBI | 0.9106 |
37 | ELH | 0.9106 |
38 | 1ZC | 0.9104 |
39 | QR2 | 0.9098 |
40 | 1X8 | 0.9087 |
41 | YZ9 | 0.9085 |
42 | HBO | 0.9083 |
43 | TCR | 0.9079 |
44 | 7ZL | 0.9077 |
45 | JG8 | 0.9072 |
46 | 6ZW | 0.9070 |
47 | VM1 | 0.9067 |
48 | 774 | 0.9066 |
49 | 5E5 | 0.9065 |
50 | GHM | 0.9064 |
51 | IL5 | 0.9052 |
52 | LL1 | 0.9048 |
53 | FQX | 0.9046 |
54 | 9RM | 0.9045 |
55 | 8HH | 0.9044 |
56 | AY4 | 0.9043 |
57 | II4 | 0.9038 |
58 | ITE | 0.9038 |
59 | AO6 | 0.9037 |
60 | L3L | 0.9035 |
61 | BZE | 0.9033 |
62 | JWS | 0.9030 |
63 | LF5 | 0.9029 |
64 | 3Y7 | 0.9028 |
65 | MUR | 0.9027 |
66 | HRM | 0.9022 |
67 | 3C5 | 0.9021 |
68 | 1VK | 0.9016 |
69 | KCH | 0.9015 |
70 | R9G | 0.9014 |
71 | XM5 | 0.9010 |
72 | 60L | 0.9005 |
73 | 78Y | 0.9003 |
74 | M02 | 0.9002 |
75 | R8Y | 0.8997 |
76 | CZ0 | 0.8994 |
77 | S60 | 0.8993 |
78 | 30G | 0.8992 |
79 | UKV | 0.8990 |
80 | 9AP | 0.8987 |
81 | LDR | 0.8982 |
82 | JR2 | 0.8979 |
83 | HKK | 0.8979 |
84 | 5TZ | 0.8974 |
85 | DXK | 0.8970 |
86 | VKE | 0.8968 |
87 | P4L | 0.8963 |
88 | 5FL | 0.8962 |
89 | DRG | 0.8961 |
90 | U7E | 0.8960 |
91 | L22 | 0.8960 |
92 | 0LO | 0.8960 |
93 | LUM | 0.8960 |
94 | HNA | 0.8958 |
95 | 0SY | 0.8957 |
96 | DPT | 0.8955 |
97 | XQK | 0.8952 |
98 | TLF | 0.8950 |
99 | SOV | 0.8950 |
100 | 5VL | 0.8949 |
101 | 5F8 | 0.8948 |
102 | ZRK | 0.8948 |
103 | VXX | 0.8945 |
104 | EWG | 0.8945 |
105 | 27M | 0.8944 |
106 | GI1 | 0.8943 |
107 | AJY | 0.8943 |
108 | ESI | 0.8943 |
109 | 2D3 | 0.8940 |
110 | 7FF | 0.8936 |
111 | X48 | 0.8936 |
112 | IQ5 | 0.8935 |
113 | 6NZ | 0.8935 |
114 | 0F9 | 0.8933 |
115 | ZYQ | 0.8928 |
116 | 5F5 | 0.8926 |
117 | GI3 | 0.8925 |
118 | ID8 | 0.8924 |
119 | 692 | 0.8923 |
120 | CSN | 0.8922 |
121 | BPU | 0.8921 |
122 | EVO | 0.8920 |
123 | NIR | 0.8919 |
124 | KTW | 0.8918 |
125 | MUK | 0.8915 |
126 | 78P | 0.8913 |
127 | 761 | 0.8913 |
128 | MXD | 0.8913 |
129 | IQZ | 0.8904 |
130 | X0W | 0.8901 |
131 | I6G | 0.8901 |
132 | JY4 | 0.8900 |
133 | KF5 | 0.8899 |
134 | RVE | 0.8897 |
135 | 9OF | 0.8896 |
136 | GZ2 | 0.8895 |
137 | 0XT | 0.8893 |
138 | 1Z8 | 0.8892 |
139 | CFK | 0.8892 |
140 | V1T | 0.8888 |
141 | C0H | 0.8888 |
142 | ZRL | 0.8887 |
143 | B21 | 0.8887 |
144 | H4B | 0.8880 |
145 | 1AJ | 0.8879 |
146 | 49P | 0.8878 |
147 | 2WU | 0.8878 |
148 | AH3 | 0.8877 |
149 | HFZ | 0.8874 |
150 | BPY | 0.8873 |
151 | XFE | 0.8873 |
152 | 25O | 0.8871 |
153 | 8NX | 0.8870 |
154 | 0FK | 0.8868 |
155 | H70 | 0.8868 |
156 | A5H | 0.8863 |
157 | YE7 | 0.8861 |
158 | NRA | 0.8861 |
159 | 6FB | 0.8861 |
160 | 77X | 0.8860 |
161 | 9UG | 0.8860 |
162 | 4F8 | 0.8859 |
163 | 2D2 | 0.8859 |
164 | R20 | 0.8858 |
165 | 1KP | 0.8857 |
166 | 9CE | 0.8855 |
167 | TR4 | 0.8853 |
168 | FF2 | 0.8852 |
169 | M1Z | 0.8850 |
170 | LFN | 0.8849 |
171 | 9TF | 0.8846 |
172 | AA | 0.8846 |
173 | ANF | 0.8845 |
174 | N0Z | 0.8844 |
175 | TXQ | 0.8843 |
176 | CKU | 0.8843 |
177 | 54X | 0.8841 |
178 | 6PB | 0.8840 |
179 | 4V2 | 0.8840 |
180 | 2GQ | 0.8840 |
181 | AN3 | 0.8837 |
182 | 9KZ | 0.8836 |
183 | OCZ | 0.8833 |
184 | 5V7 | 0.8833 |
185 | DBF | 0.8831 |
186 | S98 | 0.8831 |
187 | 5WT | 0.8831 |
188 | LFQ | 0.8829 |
189 | T28 | 0.8828 |
190 | JRO | 0.8827 |
191 | JF8 | 0.8826 |
192 | TIY | 0.8825 |
193 | DNF | 0.8823 |
194 | 4GU | 0.8821 |
195 | 67X | 0.8817 |
196 | QVK | 0.8816 |
197 | DX1 | 0.8815 |
198 | IA2 | 0.8814 |
199 | IK1 | 0.8813 |
200 | LEL | 0.8811 |
201 | CKA | 0.8810 |
202 | 5NN | 0.8810 |
203 | F40 | 0.8810 |
204 | 537 | 0.8810 |
205 | H05 | 0.8808 |
206 | 4NO | 0.8807 |
207 | 5TY | 0.8806 |
208 | U19 | 0.8806 |
209 | AH9 | 0.8806 |
210 | 5B2 | 0.8806 |
211 | QZ8 | 0.8806 |
212 | ZHA | 0.8803 |
213 | AVR | 0.8802 |
214 | ONR | 0.8802 |
215 | 39Z | 0.8802 |
216 | WS6 | 0.8800 |
217 | RKV | 0.8800 |
218 | CTN | 0.8799 |
219 | 3CA | 0.8796 |
220 | 55D | 0.8794 |
221 | PRL | 0.8794 |
222 | W22 | 0.8793 |
223 | PEY | 0.8790 |
224 | BIO | 0.8789 |
225 | SG2 | 0.8786 |
226 | M6Z | 0.8785 |
227 | 4I8 | 0.8778 |
228 | CLI | 0.8776 |
229 | YTX | 0.8776 |
230 | BZQ | 0.8773 |
231 | HQJ | 0.8773 |
232 | JVQ | 0.8773 |
233 | 3D8 | 0.8772 |
234 | AMR | 0.8772 |
235 | K3Y | 0.8769 |
236 | NDG | 0.8768 |
237 | WS7 | 0.8768 |
238 | 3GX | 0.8767 |
239 | 3N4 | 0.8767 |
240 | AH6 | 0.8767 |
241 | 68A | 0.8767 |
242 | 0W1 | 0.8763 |
243 | TQL | 0.8761 |
244 | X0U | 0.8760 |
245 | K44 | 0.8760 |
246 | LLT | 0.8759 |
247 | GO0 | 0.8758 |
248 | XI7 | 0.8757 |
249 | XZ8 | 0.8757 |
250 | TT4 | 0.8754 |
251 | LP8 | 0.8754 |
252 | 5VJ | 0.8753 |
253 | MOK | 0.8753 |
254 | 6X9 | 0.8753 |
255 | 2O6 | 0.8750 |
256 | OA1 | 0.8750 |
257 | 7ME | 0.8750 |
258 | GJK | 0.8748 |
259 | FHC | 0.8747 |
260 | DCZ | 0.8745 |
261 | FLV | 0.8745 |
262 | GF4 | 0.8744 |
263 | 36Z | 0.8741 |
264 | DUR | 0.8740 |
265 | TWB | 0.8734 |
266 | THA | 0.8731 |
267 | L5V | 0.8731 |
268 | 4AU | 0.8730 |
269 | KLV | 0.8729 |
270 | 3TC | 0.8729 |
271 | 8WZ | 0.8728 |
272 | GO1 | 0.8728 |
273 | EXD | 0.8727 |
274 | 3L1 | 0.8727 |
275 | HH6 | 0.8725 |
276 | FER | 0.8724 |
277 | YE6 | 0.8722 |
278 | LDC | 0.8722 |
279 | 1FL | 0.8722 |
280 | 43U | 0.8721 |
281 | 5GT | 0.8718 |
282 | 3YQ | 0.8717 |
283 | 4MU | 0.8716 |
284 | CH9 | 0.8716 |
285 | PIQ | 0.8714 |
286 | NAG | 0.8713 |
287 | CUT | 0.8712 |
288 | DIF | 0.8711 |
289 | 9UL | 0.8710 |
290 | 0FS | 0.8710 |
291 | 9FL | 0.8710 |
292 | KY3 | 0.8709 |
293 | N2M | 0.8708 |
294 | 4FF | 0.8707 |
295 | 0RY | 0.8706 |
296 | C53 | 0.8706 |
297 | SQ7 | 0.8704 |
298 | N88 | 0.8703 |
299 | 9FE | 0.8703 |
300 | CK2 | 0.8702 |
301 | HC8 | 0.8700 |
302 | F95 | 0.8698 |
303 | OSB | 0.8695 |
304 | R6T | 0.8695 |
305 | 5E1 | 0.8694 |
306 | 3QV | 0.8693 |
307 | SYR | 0.8692 |
308 | 19E | 0.8691 |
309 | M5N | 0.8691 |
310 | 3D1 | 0.8691 |
311 | TIA | 0.8689 |
312 | TQU | 0.8687 |
313 | 8W9 | 0.8685 |
314 | LWS | 0.8683 |
315 | 1IT | 0.8683 |
316 | IDZ | 0.8680 |
317 | HHS | 0.8680 |
318 | CB1 | 0.8680 |
319 | HMD | 0.8677 |
320 | 64E | 0.8675 |
321 | 363 | 0.8675 |
322 | K66 | 0.8674 |
323 | SQP | 0.8674 |
324 | 5E4 | 0.8672 |
325 | A73 | 0.8672 |
326 | N7I | 0.8671 |
327 | ADN | 0.8671 |
328 | 2PW | 0.8670 |
329 | LR2 | 0.8664 |
330 | G12 | 0.8662 |
331 | GC2 | 0.8660 |
332 | NU3 | 0.8660 |
333 | VAO | 0.8660 |
334 | 28N | 0.8659 |
335 | 15N | 0.8659 |
336 | ZIQ | 0.8656 |
337 | 226 | 0.8656 |
338 | 64C | 0.8655 |
339 | NBG | 0.8654 |
340 | AGI | 0.8653 |
341 | QMS | 0.8653 |
342 | 20D | 0.8650 |
343 | 39O | 0.8649 |
344 | 34L | 0.8648 |
345 | 6HO | 0.8645 |
346 | TXW | 0.8644 |
347 | XYS XYP | 0.8644 |
348 | CDJ | 0.8639 |
349 | THM | 0.8638 |
350 | NGO | 0.8638 |
351 | TRP | 0.8637 |
352 | 6KT | 0.8636 |
353 | AC2 | 0.8636 |
354 | 7MX | 0.8634 |
355 | 1HN | 0.8633 |
356 | YEX | 0.8633 |
357 | M5H | 0.8631 |
358 | 2NJ | 0.8629 |
359 | MNY | 0.8628 |
360 | FXH | 0.8628 |
361 | ZSP | 0.8627 |
362 | SQM | 0.8627 |
363 | HRD | 0.8626 |
364 | ZYV | 0.8626 |
365 | 1V1 | 0.8624 |
366 | 2UZ | 0.8622 |
367 | PF1 | 0.8617 |
368 | GJP | 0.8617 |
369 | WLH | 0.8615 |
370 | PH2 | 0.8615 |
371 | MMJ | 0.8613 |
372 | 2UD | 0.8612 |
373 | KMP | 0.8609 |
374 | 4G2 | 0.8608 |
375 | EN1 | 0.8606 |
376 | D3G | 0.8604 |
377 | TWO | 0.8604 |
378 | H35 | 0.8604 |
379 | 43S | 0.8602 |
380 | XEZ | 0.8601 |
381 | VT3 | 0.8601 |
382 | DFL | 0.8600 |
383 | DX7 | 0.8599 |
384 | GSY | 0.8592 |
385 | 25F | 0.8590 |
386 | 9ZE | 0.8588 |
387 | MS0 | 0.8584 |
388 | 52B | 0.8582 |
389 | XCG | 0.8582 |
390 | IPD | 0.8580 |
391 | 2K8 | 0.8577 |
392 | SU9 | 0.8575 |
393 | GVI | 0.8574 |
394 | 1QP | 0.8572 |
395 | UFO | 0.8567 |
396 | JYT | 0.8566 |
397 | JXK | 0.8559 |
398 | SZ5 | 0.8556 |
399 | 3F4 | 0.8554 |
400 | HFT | 0.8552 |
401 | ALR | 0.8550 |
402 | 8RK | 0.8548 |
403 | 12T | 0.8548 |
404 | BOQ | 0.8547 |
405 | KYN | 0.8543 |
406 | GNR | 0.8541 |
407 | E1K | 0.8534 |
408 | BGP | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 4hmx.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4hmx.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4hmx.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |