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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 1 families. | |||||
1 | 2V7T | Ka = 30200000 M^-1 | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
2 | 2CC2 | - | 5AD | C10 H13 N5 O3 | C[C@@H]1[C.... |
3 | 2CBX | - | CC5 | C9 H11 N5 O3 | c1nc(c2c(n.... |
4 | 2V7V | Ka = 4550000 M^-1 | 5FD | C10 H14 F N5 O3 | [H]/N=C/1C.... |
5 | 2V7W | - | 5FD | C10 H14 F N5 O3 | [H]/N=C/1C.... |
6 | 2V7X | Ka = 59000 M^-1 | MET | C5 H11 N O2 S | CSCC[C@@H].... |
7 | 5FIU | Ka = 2710000 M^-1 | Y3J | C10 H11 F2 N5 O3 | c1nc(c2c(n.... |
8 | 2V7U | Ka = 800000 M^-1 | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
9 | 1RQP | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
10 | 2C2W | - | 5CD | C10 H12 Cl N5 O3 | c1nc(c2c(n.... |
11 | 2C5B | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
12 | 5B6I | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 2Q6K | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
2 | 6RYZ | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 2Q6O | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
4 | 6RZ2 | - | 5CD | C10 H12 Cl N5 O3 | c1nc(c2c(n.... |
5 | 7CCG | - | 5CD | C10 H12 Cl N5 O3 | c1nc(c2c(n.... |
6 | 2V7T | Ka = 30200000 M^-1 | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
7 | 2CC2 | - | 5AD | C10 H13 N5 O3 | C[C@@H]1[C.... |
8 | 2CBX | - | CC5 | C9 H11 N5 O3 | c1nc(c2c(n.... |
9 | 2V7V | Ka = 4550000 M^-1 | 5FD | C10 H14 F N5 O3 | [H]/N=C/1C.... |
10 | 2V7W | - | 5FD | C10 H14 F N5 O3 | [H]/N=C/1C.... |
11 | 2V7X | Ka = 59000 M^-1 | MET | C5 H11 N O2 S | CSCC[C@@H].... |
12 | 5FIU | Ka = 2710000 M^-1 | Y3J | C10 H11 F2 N5 O3 | c1nc(c2c(n.... |
13 | 2V7U | Ka = 800000 M^-1 | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
14 | 1RQP | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
15 | 2C2W | - | 5CD | C10 H12 Cl N5 O3 | c1nc(c2c(n.... |
16 | 2C5B | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
17 | 5B6I | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5FD | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADN | 0.9993 |
2 | 5CD | 0.9910 |
3 | A | 0.9881 |
4 | AD3 | 0.9845 |
5 | 5N5 | 0.9839 |
6 | MDR | 0.9838 |
7 | NOC | 0.9834 |
8 | ARJ | 0.9834 |
9 | FMB | 0.9830 |
10 | 5AD | 0.9817 |
11 | 1DA | 0.9808 |
12 | 3D1 | 0.9794 |
13 | 5F1 | 0.9782 |
14 | 3AD | 0.9759 |
15 | Y3J | 0.9754 |
16 | PRH | 0.9753 |
17 | AFX | 0.9737 |
18 | HPR | 0.9736 |
19 | 3BH | 0.9731 |
20 | MTA | 0.9722 |
21 | GMP | 0.9715 |
22 | DBM | 0.9684 |
23 | TBN | 0.9676 |
24 | NOS | 0.9668 |
25 | FMC | 0.9658 |
26 | 5ID | 0.9637 |
27 | 2FA | 0.9635 |
28 | IMH | 0.9630 |
29 | 8OX | 0.9616 |
30 | UA2 | 0.9604 |
31 | MTI | 0.9570 |
32 | GNG | 0.9565 |
33 | 6MD | 0.9539 |
34 | PUR | 0.9536 |
35 | MTM | 0.9518 |
36 | 7D7 | 0.9517 |
37 | XYA | 0.9495 |
38 | CFE | 0.9493 |
39 | IMG | 0.9492 |
40 | A4D | 0.9491 |
41 | RAB | 0.9487 |
42 | 9DI | 0.9485 |
43 | THM | 0.9484 |
44 | 5UD | 0.9475 |
45 | 5I5 | 0.9472 |
46 | CL9 | 0.9470 |
47 | FTU | 0.9468 |
48 | EKH | 0.9455 |
49 | 5NB | 0.9453 |
50 | CC5 | 0.9445 |
51 | 4UO | 0.9444 |
52 | CTN | 0.9433 |
53 | MTP | 0.9430 |
54 | RPP | 0.9408 |
55 | B86 | 0.9395 |
56 | 26A | 0.9394 |
57 | MG7 | 0.9388 |
58 | EP4 | 0.9388 |
59 | MTH | 0.9380 |
60 | URI | 0.9355 |
61 | TAL | 0.9350 |
62 | NWW | 0.9335 |
63 | ZAS | 0.9330 |
64 | SCT | 0.9320 |
65 | 6CR | 0.9318 |
66 | DCF | 0.9304 |
67 | HO4 | 0.9300 |
68 | MZR | 0.9292 |
69 | H7S | 0.9274 |
70 | RFZ | 0.9267 |
71 | FM2 | 0.9248 |
72 | 5MD | 0.9243 |
73 | MCF | 0.9228 |
74 | 8HG | 0.9227 |
75 | 3DH | 0.9224 |
76 | XYP XDN | 0.9222 |
77 | XYS XYP | 0.9211 |
78 | XYP XYP | 0.9209 |
79 | 28A | 0.9207 |
80 | XDN XYP | 0.9205 |
81 | XIL | 0.9199 |
82 | 833 | 0.9198 |
83 | 13A | 0.9198 |
84 | Z8B | 0.9179 |
85 | TMC | 0.9171 |
86 | AHU | 0.9165 |
87 | FM1 | 0.9164 |
88 | 2FD | 0.9153 |
89 | 4GU | 0.9152 |
90 | XYS XYS | 0.9148 |
91 | BMC | 0.9146 |
92 | XDL XYP | 0.9139 |
93 | 3L1 | 0.9138 |
94 | TO1 | 0.9132 |
95 | ACE TRP | 0.9131 |
96 | AOC | 0.9127 |
97 | 2QU | 0.9116 |
98 | XTS | 0.9111 |
99 | KF5 | 0.9104 |
100 | 7CI | 0.9094 |
101 | X2M | 0.9093 |
102 | RVD | 0.9085 |
103 | XYP XIF | 0.9080 |
104 | TRP | 0.9079 |
105 | 9UL | 0.9078 |
106 | NWQ | 0.9072 |
107 | XYS AZI XYS | 0.9064 |
108 | XIF XYP | 0.9064 |
109 | QQY | 0.9064 |
110 | EAT | 0.9059 |
111 | ZYV | 0.9059 |
112 | AVX | 0.9045 |
113 | THU | 0.9045 |
114 | EXX | 0.9041 |
115 | NXB | 0.9040 |
116 | XEV | 0.9033 |
117 | 92O | 0.9028 |
118 | TIA | 0.9026 |
119 | CDY | 0.9023 |
120 | ACK | 0.9022 |
121 | P2L | 0.9010 |
122 | 1Q4 | 0.9003 |
123 | TJM | 0.8999 |
124 | GPK | 0.8995 |
125 | 1ZC | 0.8995 |
126 | VCE | 0.8990 |
127 | ZEB | 0.8988 |
128 | DK4 | 0.8986 |
129 | 15Q | 0.8981 |
130 | 0SY | 0.8978 |
131 | 9CE | 0.8977 |
132 | BBY | 0.8973 |
133 | NEC | 0.8972 |
134 | NEO | 0.8972 |
135 | CMP | 0.8967 |
136 | 2GD | 0.8966 |
137 | 3RP | 0.8966 |
138 | DBS | 0.8963 |
139 | HBI | 0.8963 |
140 | RBV | 0.8962 |
141 | ZIQ | 0.8960 |
142 | Z15 | 0.8955 |
143 | C4E | 0.8954 |
144 | 0GA | 0.8952 |
145 | LVY | 0.8944 |
146 | A3N | 0.8942 |
147 | SGV | 0.8940 |
148 | DTE | 0.8937 |
149 | EF2 | 0.8934 |
150 | 0OK | 0.8932 |
151 | QQX | 0.8932 |
152 | GA2 | 0.8927 |
153 | AGV | 0.8924 |
154 | 1KN | 0.8923 |
155 | XYP XYS | 0.8920 |
156 | 5AE | 0.8920 |
157 | Z17 | 0.8919 |
158 | JSX | 0.8917 |
159 | GPQ | 0.8914 |
160 | DTR | 0.8913 |
161 | TR7 | 0.8909 |
162 | H4B | 0.8909 |
163 | A4V | 0.8909 |
164 | NQ7 | 0.8907 |
165 | 96Z | 0.8906 |
166 | 8DA | 0.8905 |
167 | B5A | 0.8904 |
168 | JMQ | 0.8903 |
169 | LOX XYP | 0.8902 |
170 | NNR | 0.8902 |
171 | KWB | 0.8901 |
172 | VBC | 0.8900 |
173 | F4U | 0.8899 |
174 | SGP | 0.8897 |
175 | PE2 | 0.8891 |
176 | GPU | 0.8890 |
177 | RVB | 0.8887 |
178 | EXG | 0.8886 |
179 | 5E5 | 0.8885 |
180 | 2P3 | 0.8885 |
181 | 5JT | 0.8885 |
182 | F40 | 0.8884 |
183 | Z57 | 0.8884 |
184 | QME | 0.8882 |
185 | RVC | 0.8881 |
186 | K80 | 0.8880 |
187 | 5V7 | 0.8872 |
188 | Q4G | 0.8872 |
189 | C2M | 0.8872 |
190 | 3D8 | 0.8870 |
191 | S1D | 0.8870 |
192 | CTE | 0.8868 |
193 | WCU | 0.8866 |
194 | AJ4 | 0.8864 |
195 | XYP AHR | 0.8860 |
196 | II4 | 0.8858 |
197 | ITW | 0.8858 |
198 | OUA | 0.8854 |
199 | 4K2 | 0.8853 |
200 | 0J4 | 0.8852 |
201 | Q2S | 0.8850 |
202 | IMK | 0.8845 |
203 | PZ8 | 0.8845 |
204 | DXK | 0.8844 |
205 | TVZ | 0.8844 |
206 | 22L | 0.8840 |
207 | TGW | 0.8840 |
208 | 1SF | 0.8836 |
209 | Y70 | 0.8836 |
210 | H2B | 0.8829 |
211 | 092 | 0.8829 |
212 | 6J3 | 0.8828 |
213 | 3IP | 0.8824 |
214 | NE1 | 0.8823 |
215 | MBY | 0.8819 |
216 | ETV | 0.8815 |
217 | KP2 | 0.8814 |
218 | NIR | 0.8813 |
219 | 0QV | 0.8813 |
220 | ID8 | 0.8812 |
221 | GFE | 0.8810 |
222 | AOJ | 0.8809 |
223 | 0J2 | 0.8809 |
224 | JOB | 0.8808 |
225 | EXR | 0.8806 |
226 | 1FL | 0.8803 |
227 | FWD | 0.8803 |
228 | 7G1 | 0.8797 |
229 | BZM | 0.8797 |
230 | C0H | 0.8796 |
231 | LU2 | 0.8794 |
232 | 3WN | 0.8786 |
233 | 3WO | 0.8786 |
234 | 78U | 0.8783 |
235 | TIZ | 0.8782 |
236 | CJB | 0.8781 |
237 | MPU | 0.8781 |
238 | A4G | 0.8780 |
239 | 7FZ | 0.8778 |
240 | AMP | 0.8778 |
241 | DKX | 0.8777 |
242 | SP1 | 0.8777 |
243 | CWD | 0.8775 |
244 | 5E4 | 0.8775 |
245 | DKZ | 0.8774 |
246 | CJZ | 0.8773 |
247 | 7AP | 0.8772 |
248 | M5H | 0.8771 |
249 | FY8 | 0.8768 |
250 | NEU | 0.8763 |
251 | W29 | 0.8763 |
252 | VJJ | 0.8760 |
253 | G30 | 0.8760 |
254 | M02 | 0.8759 |
255 | KW7 | 0.8756 |
256 | U4J | 0.8751 |
257 | JO5 | 0.8750 |
258 | AV4 | 0.8750 |
259 | EXL | 0.8750 |
260 | 1A5 | 0.8749 |
261 | S0G | 0.8748 |
262 | 7L4 | 0.8746 |
263 | A4N | 0.8745 |
264 | BIO | 0.8745 |
265 | 6EL | 0.8745 |
266 | DNB | 0.8744 |
267 | JA3 | 0.8744 |
268 | 16Z | 0.8740 |
269 | ZSP | 0.8740 |
270 | Q9T | 0.8737 |
271 | M77 | 0.8737 |
272 | DIH | 0.8735 |
273 | 4AB | 0.8734 |
274 | Z16 | 0.8733 |
275 | 4OG | 0.8732 |
276 | IXG | 0.8730 |
277 | M0N | 0.8728 |
278 | H75 | 0.8728 |
279 | AWE | 0.8728 |
280 | EZN | 0.8726 |
281 | FCW | 0.8725 |
282 | 4L2 | 0.8718 |
283 | 0FR | 0.8717 |
284 | SY4 | 0.8716 |
285 | JGB | 0.8716 |
286 | LJ4 | 0.8715 |
287 | NIY | 0.8713 |
288 | 7EH | 0.8710 |
289 | TI7 | 0.8708 |
290 | XYP XIM | 0.8708 |
291 | LMS | 0.8705 |
292 | AGI | 0.8704 |
293 | DFL | 0.8702 |
294 | 2DL | 0.8700 |
295 | GF7 | 0.8695 |
296 | WVV | 0.8693 |
297 | PIR | 0.8688 |
298 | JF8 | 0.8688 |
299 | MIL | 0.8683 |
300 | MFR | 0.8682 |
301 | EV2 | 0.8680 |
302 | IMP | 0.8679 |
303 | 3WK | 0.8675 |
304 | C0Y | 0.8674 |
305 | CQW | 0.8674 |
306 | X48 | 0.8673 |
307 | BHS | 0.8672 |
308 | N5O | 0.8670 |
309 | 5NN | 0.8669 |
310 | 0HY | 0.8668 |
311 | 0ON | 0.8667 |
312 | D64 | 0.8666 |
313 | B21 | 0.8665 |
314 | 42R | 0.8663 |
315 | 2GE | 0.8662 |
316 | ZJB | 0.8660 |
317 | W23 | 0.8658 |
318 | QKU | 0.8658 |
319 | AZZ | 0.8657 |
320 | G14 | 0.8656 |
321 | 2GQ | 0.8654 |
322 | X29 | 0.8654 |
323 | L3L | 0.8654 |
324 | 9B3 | 0.8652 |
325 | 5BX | 0.8651 |
326 | 2LT | 0.8650 |
327 | 9FH | 0.8650 |
328 | HVE | 0.8650 |
329 | LL1 | 0.8646 |
330 | P4L | 0.8646 |
331 | BWD | 0.8645 |
332 | FT6 | 0.8644 |
333 | MXD | 0.8643 |
334 | 8D6 | 0.8640 |
335 | 5GP | 0.8639 |
336 | DS8 | 0.8638 |
337 | IM4 | 0.8637 |
338 | 3QI | 0.8636 |
339 | FYR | 0.8633 |
340 | ISX | 0.8630 |
341 | 4E5 | 0.8629 |
342 | 51Y | 0.8629 |
343 | 363 | 0.8627 |
344 | GLC BGC | 0.8626 |
345 | 3TC | 0.8624 |
346 | 64I | 0.8624 |
347 | 35G | 0.8622 |
348 | RE4 | 0.8621 |
349 | H70 | 0.8619 |
350 | 2L2 | 0.8612 |
351 | 6ZW | 0.8611 |
352 | 5P7 | 0.8609 |
353 | EAJ | 0.8608 |
354 | 26C | 0.8608 |
355 | 6U5 | 0.8606 |
356 | KUP | 0.8604 |
357 | 3AK | 0.8602 |
358 | FCD | 0.8602 |
359 | LTN | 0.8600 |
360 | 14Z | 0.8598 |
361 | 848 | 0.8598 |
362 | IWD | 0.8595 |
363 | 7CH | 0.8594 |
364 | 88R | 0.8594 |
365 | STZ | 0.8593 |
366 | TCL | 0.8587 |
367 | CU8 | 0.8584 |
368 | I0D | 0.8582 |
369 | KYN | 0.8582 |
370 | 78P | 0.8581 |
371 | CUH | 0.8577 |
372 | 5SJ | 0.8576 |
373 | 17C | 0.8575 |
374 | RNK | 0.8568 |
375 | UX0 | 0.8567 |
376 | GEN | 0.8562 |
377 | MUK | 0.8562 |
378 | FMQ | 0.8560 |
379 | H35 | 0.8556 |
380 | 9PP | 0.8556 |
381 | 3WJ | 0.8555 |
382 | 38E | 0.8552 |
383 | BC3 | 0.8552 |
384 | NAR | 0.8541 |
385 | PBQ | 0.8537 |
386 | 22T | 0.8524 |
387 | 4NR | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |