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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 | 1L4G | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
2 | 1D0S | - | DMD | C9 H10 N2 | Cc1cc2c(cc.... |
3 | 1L4K | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
4 | 4KQF | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
5 | 4KQJ | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
6 | 1L4F | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
7 | 1JHV | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
8 | 4KQG | - | DMD | C9 H10 N2 | Cc1cc2c(cc.... |
9 | 1L4N | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
10 | 1JHM | - | 5MB | C8 H8 N2 | Cc1ccc2c(c.... |
11 | 1JHU | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
12 | 1JH8 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
13 | 1L4M | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
14 | 1L5L | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
15 | 1L4L | - | XYD | C8 H11 N | Cc1ccc(c(c.... |
16 | 1JHQ | - | PMO | C13 H17 N2 O8 P | COc1ccc2c(.... |
17 | 1L5K | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
18 | 1JHP | - | 5OB | C8 H8 N2 O | COc1ccc2c(.... |
19 | 1JHY | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
20 | 1L5M | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
21 | 1JHA | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
22 | 1JHX | - | IPH | C6 H6 O | c1ccc(cc1).... |
23 | 1JHO | - | RMB | C13 H17 N2 O7 P | Cc1ccc2c(c.... |
24 | 1JHR | - | P2P | C10 H13 N4 O8 P | c1c2c(ncn2.... |
25 | 1L4E | - | RBZ | C14 H19 N2 O7 P | Cc1cc2c(cc.... |
26 | 4KQK | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
27 | 1D0V | - | RBZ | C14 H19 N2 O7 P | Cc1cc2c(cc.... |
28 | 1L5O | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
29 | 1L5F | - | BZI | C7 H6 N2 | c1ccc2c(c1.... |
30 | 1L4H | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
31 | 4KQI | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1L4G | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
2 | 1D0S | - | DMD | C9 H10 N2 | Cc1cc2c(cc.... |
3 | 1L4K | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
4 | 4KQF | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
5 | 4KQJ | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
6 | 1L4F | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
7 | 1JHV | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
8 | 4KQG | - | DMD | C9 H10 N2 | Cc1cc2c(cc.... |
9 | 1L4N | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
10 | 1JHM | - | 5MB | C8 H8 N2 | Cc1ccc2c(c.... |
11 | 1JHU | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
12 | 1JH8 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
13 | 1L4M | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
14 | 1L5L | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
15 | 1L4L | - | XYD | C8 H11 N | Cc1ccc(c(c.... |
16 | 1JHQ | - | PMO | C13 H17 N2 O8 P | COc1ccc2c(.... |
17 | 1L5K | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
18 | 1JHP | - | 5OB | C8 H8 N2 O | COc1ccc2c(.... |
19 | 1JHY | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
20 | 1L5M | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
21 | 1JHA | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
22 | 1JHX | - | IPH | C6 H6 O | c1ccc(cc1).... |
23 | 1JHO | - | RMB | C13 H17 N2 O7 P | Cc1ccc2c(c.... |
24 | 1JHR | - | P2P | C10 H13 N4 O8 P | c1c2c(ncn2.... |
25 | 1L4E | - | RBZ | C14 H19 N2 O7 P | Cc1cc2c(cc.... |
26 | 4KQK | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
27 | 1D0V | - | RBZ | C14 H19 N2 O7 P | Cc1cc2c(cc.... |
28 | 1L5O | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
29 | 1L5F | - | BZI | C7 H6 N2 | c1ccc2c(c1.... |
30 | 1L4H | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
31 | 4KQI | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NCN | 1 | 1 |
2 | NMN | 0.647887 | 0.892308 |
3 | DND | 0.53 | 0.808219 |
4 | NNR | 0.492958 | 0.742424 |
5 | 8ID | 0.462264 | 0.74359 |
6 | A7R | 0.45098 | 0.794521 |
7 | NAD IBO | 0.435185 | 0.791667 |
8 | NAD TDB | 0.435185 | 0.791667 |
9 | NAJ | 0.432432 | 0.780822 |
10 | NAD | 0.424779 | 0.805556 |
11 | NHD | 0.424779 | 0.805556 |
12 | NFD | 0.417391 | 0.763158 |
13 | A3D | 0.417391 | 0.794521 |
14 | NGD | 0.414414 | 0.74359 |
15 | NBP | 0.413223 | 0.74359 |
16 | AMP NAD | 0.412281 | 0.805556 |
17 | N01 | 0.401709 | 0.780822 |
18 | NDO | 0.4 | 0.794521 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 1WG | 0.9996 |
2 | TC7 | 0.9952 |
3 | F4Z | 0.9945 |
4 | 45C | 0.9939 |
5 | 25W | 0.9849 |
6 | G6D | 0.9830 |
7 | MWM | 0.9698 |
8 | 43M | 0.9686 |
9 | MCT | 0.9680 |
10 | F05 | 0.9675 |
11 | 4ZE | 0.9657 |
12 | F5B | 0.9655 |
13 | 2MP | 0.9650 |
14 | PYD | 0.9645 |
15 | ICP | 0.9645 |
16 | WBU | 0.9644 |
17 | 275 | 0.9643 |
18 | 34A | 0.9642 |
19 | XBZ | 0.9637 |
20 | 2AC | 0.9633 |
21 | 1MC | 0.9631 |
22 | TH0 | 0.9628 |
23 | 5MH | 0.9627 |
24 | XYD | 0.9626 |
25 | TM7 | 0.9624 |
26 | TDR | 0.9623 |
27 | HT4 | 0.9621 |
28 | 4HO | 0.9621 |
29 | 2YU | 0.9618 |
30 | URF | 0.9618 |
31 | A1U | 0.9618 |
32 | JZ2 | 0.9615 |
33 | 0RW | 0.9612 |
34 | MZG | 0.9612 |
35 | XXR | 0.9610 |
36 | 0TR | 0.9608 |
37 | 9EW | 0.9607 |
38 | HLR | 0.9604 |
39 | 5JC | 0.9600 |
40 | 7CZ | 0.9593 |
41 | 4JO | 0.9589 |
42 | 3ZQ | 0.9589 |
43 | 4CL | 0.9587 |
44 | 1PT | 0.9585 |
45 | 4JJ | 0.9582 |
46 | QOS | 0.9582 |
47 | 5UC | 0.9580 |
48 | SVN | 0.9574 |
49 | MWJ | 0.9567 |
50 | BR9 | 0.9558 |
51 | BGC | 0.9558 |
52 | GLC | 0.9554 |
53 | RAM | 0.9553 |
54 | 6M9 | 0.9553 |
55 | 27Y | 0.9551 |
56 | TLD | 0.9551 |
57 | ADZ | 0.9546 |
58 | EXO | 0.9542 |
59 | G3F | 0.9540 |
60 | QUZ | 0.9532 |
61 | AHR | 0.9530 |
62 | ISN | 0.9528 |
63 | NPY | 0.9520 |
64 | YCP | 0.9515 |
65 | RSF | 0.9512 |
66 | DMD | 0.9508 |
67 | DEN | 0.9506 |
68 | QWN | 0.9503 |
69 | Y8I | 0.9500 |
70 | IUR | 0.9498 |
71 | HMH | 0.9498 |
72 | BEZ | 0.9496 |
73 | XYP | 0.9496 |
74 | 7W4 | 0.9495 |
75 | NBZ | 0.9493 |
76 | BEN | 0.9491 |
77 | 6PC | 0.9488 |
78 | KKN | 0.9483 |
79 | 0CT | 0.9481 |
80 | ES7 | 0.9481 |
81 | 1DW | 0.9481 |
82 | 6M4 | 0.9481 |
83 | 3Z7 | 0.9478 |
84 | 7B4 | 0.9470 |
85 | GVH | 0.9464 |
86 | BZF | 0.9464 |
87 | IND | 0.9463 |
88 | 3ID | 0.9460 |
89 | BAM | 0.9460 |
90 | 5CL | 0.9457 |
91 | 4JP | 0.9457 |
92 | 1P7 | 0.9453 |
93 | MPI | 0.9450 |
94 | 4ZC | 0.9449 |
95 | ISE | 0.9448 |
96 | BZI | 0.9447 |
97 | 5WV | 0.9445 |
98 | BZX | 0.9443 |
99 | 0R1 | 0.9441 |
100 | TH7 | 0.9440 |
101 | SAL | 0.9436 |
102 | OXE | 0.9436 |
103 | LXC | 0.9435 |
104 | 3DO | 0.9433 |
105 | 8S0 | 0.9429 |
106 | NCA | 0.9429 |
107 | 5B1 | 0.9426 |
108 | NK | 0.9424 |
109 | CAQ | 0.9424 |
110 | JPZ | 0.9423 |
111 | 40O | 0.9420 |
112 | BTE | 0.9418 |
113 | LZ1 | 0.9416 |
114 | JAE | 0.9416 |
115 | IDH | 0.9416 |
116 | 5Q0 | 0.9414 |
117 | 1NP | 0.9412 |
118 | 6AI | 0.9412 |
119 | 1SQ | 0.9409 |
120 | 4XR | 0.9407 |
121 | 1LQ | 0.9406 |
122 | ES1 | 0.9405 |
123 | O72 | 0.9405 |
124 | JBE | 0.9404 |
125 | 4YS | 0.9401 |
126 | 5SG | 0.9400 |
127 | JBH | 0.9400 |
128 | GAL | 0.9399 |
129 | 24W | 0.9397 |
130 | N5J | 0.9396 |
131 | 5IQ | 0.9395 |
132 | HQY | 0.9395 |
133 | BHO | 0.9395 |
134 | ADE | 0.9393 |
135 | 3U4 | 0.9393 |
136 | QXW | 0.9392 |
137 | 32X | 0.9391 |
138 | ZZT | 0.9391 |
139 | IT2 | 0.9391 |
140 | GXY | 0.9389 |
141 | XQ0 | 0.9389 |
142 | IDM | 0.9389 |
143 | 5MB | 0.9388 |
144 | 5H1 | 0.9387 |
145 | 1LM | 0.9386 |
146 | HPA | 0.9382 |
147 | 14O | 0.9382 |
148 | FUL | 0.9382 |
149 | GYE | 0.9381 |
150 | GBD | 0.9380 |
151 | 2CK | 0.9380 |
152 | F60 | 0.9378 |
153 | 8GC | 0.9374 |
154 | 3PF | 0.9373 |
155 | FYU | 0.9372 |
156 | ES9 | 0.9372 |
157 | 6MP | 0.9371 |
158 | BE2 | 0.9371 |
159 | FE DB1 | 0.9370 |
160 | DBH | 0.9368 |
161 | 24B | 0.9368 |
162 | 8H8 | 0.9367 |
163 | INS | 0.9363 |
164 | 5MI | 0.9363 |
165 | 3HA | 0.9362 |
166 | 3F0 | 0.9360 |
167 | KJY | 0.9359 |
168 | 9DA | 0.9358 |
169 | 3M0 | 0.9356 |
170 | NIO | 0.9355 |
171 | 9HX | 0.9353 |
172 | 1AN | 0.9349 |
173 | G3E | 0.9349 |
174 | BEW | 0.9348 |
175 | UNU | 0.9348 |
176 | JBK | 0.9344 |
177 | NSP | 0.9344 |
178 | 4SV | 0.9343 |
179 | SS1 | 0.9342 |
180 | ALL | 0.9341 |
181 | H4N | 0.9340 |
182 | 11S | 0.9340 |
183 | FPY | 0.9340 |
184 | PZA | 0.9338 |
185 | 2CH | 0.9335 |
186 | 8LG | 0.9331 |
187 | 2K4 | 0.9330 |
188 | ES6 | 0.9329 |
189 | 1XN | 0.9329 |
190 | VGL | 0.9327 |
191 | PBC | 0.9327 |
192 | L89 | 0.9326 |
193 | B53 | 0.9325 |
194 | 7HP | 0.9325 |
195 | JZ0 | 0.9324 |
196 | 2AF | 0.9322 |
197 | ABE | 0.9320 |
198 | BP1 | 0.9319 |
199 | FK1 | 0.9317 |
200 | 7WA | 0.9315 |
201 | 2AQ | 0.9315 |
202 | FP2 | 0.9314 |
203 | ES4 | 0.9307 |
204 | 93Q | 0.9304 |
205 | JB5 | 0.9304 |
206 | COU | 0.9303 |
207 | 10L | 0.9301 |
208 | 4XH | 0.9301 |
209 | HTS | 0.9299 |
210 | OXQ | 0.9298 |
211 | CRS | 0.9298 |
212 | HH8 | 0.9297 |
213 | NTN | 0.9296 |
214 | 03V | 0.9295 |
215 | 76X | 0.9294 |
216 | 92Z | 0.9294 |
217 | RCO | 0.9292 |
218 | BE7 | 0.9290 |
219 | I1N | 0.9290 |
220 | QSC | 0.9286 |
221 | PM6 | 0.9286 |
222 | DQN | 0.9286 |
223 | SWD | 0.9282 |
224 | 3NT | 0.9279 |
225 | OCH | 0.9279 |
226 | FUC | 0.9279 |
227 | 86J | 0.9276 |
228 | YAN | 0.9276 |
229 | 5QY | 0.9275 |
230 | DFU | 0.9275 |
231 | 938 | 0.9275 |
232 | J1Z | 0.9275 |
233 | ES5 | 0.9275 |
234 | 4FS | 0.9274 |
235 | DHQ | 0.9274 |
236 | 3CH | 0.9272 |
237 | 0MK | 0.9272 |
238 | RIP | 0.9272 |
239 | I3A | 0.9271 |
240 | T6C | 0.9271 |
241 | GAB | 0.9269 |
242 | LT2 | 0.9269 |
243 | 1WD | 0.9265 |
244 | EQT | 0.9265 |
245 | HMU | 0.9265 |
246 | GAG | 0.9265 |
247 | CYT | 0.9262 |
248 | M1A | 0.9261 |
249 | TP5 | 0.9261 |
250 | 9MG | 0.9260 |
251 | JZ9 | 0.9260 |
252 | JZ3 | 0.9260 |
253 | 5RG | 0.9259 |
254 | SE2 | 0.9258 |
255 | 4CS | 0.9257 |
256 | M58 | 0.9255 |
257 | OVV | 0.9255 |
258 | 5HN | 0.9254 |
259 | 3AB | 0.9253 |
260 | URA | 0.9252 |
261 | LG3 | 0.9252 |
262 | JIF | 0.9251 |
263 | 3HB | 0.9250 |
264 | 7HQ | 0.9250 |
265 | L3Q | 0.9250 |
266 | 26D | 0.9249 |
267 | E7Z | 0.9246 |
268 | ABV | 0.9246 |
269 | JKE | 0.9246 |
270 | H42 | 0.9245 |
271 | AC0 | 0.9245 |
272 | 9DG | 0.9244 |
273 | D48 | 0.9243 |
274 | 0P6 | 0.9242 |
275 | FOA | 0.9242 |
276 | PYC | 0.9241 |
277 | 35C | 0.9240 |
278 | HX3 | 0.9239 |
279 | LG5 | 0.9238 |
280 | 0R0 | 0.9236 |
281 | KUF | 0.9236 |
282 | 53C | 0.9235 |
283 | AZA | 0.9235 |
284 | Q88 | 0.9234 |
285 | 3XX | 0.9234 |
286 | 8NY | 0.9228 |
287 | WOO | 0.9227 |
288 | KOJ | 0.9227 |
289 | NMJ | 0.9226 |
290 | GTQ | 0.9225 |
291 | GCS | 0.9223 |
292 | XYS | 0.9219 |
293 | 6X8 | 0.9219 |
294 | 7WV | 0.9214 |
295 | RM1 | 0.9212 |
296 | 2HQ | 0.9210 |
297 | HFB | 0.9209 |
298 | 7MH | 0.9209 |
299 | 3BZ | 0.9207 |
300 | BVF | 0.9207 |
301 | GUN | 0.9207 |
302 | BBF | 0.9206 |
303 | 1U6 | 0.9205 |
304 | 1XX | 0.9204 |
305 | J5I | 0.9203 |
306 | 8CM | 0.9203 |
307 | FCA | 0.9200 |
308 | HY3 | 0.9198 |
309 | 4Z4 | 0.9197 |
310 | FDB | 0.9197 |
311 | 2PC | 0.9196 |
312 | BCF | 0.9192 |
313 | ES0 | 0.9191 |
314 | LGC | 0.9191 |
315 | PCI | 0.9188 |
316 | 2D0 | 0.9187 |
317 | BMA | 0.9187 |
318 | 0W8 | 0.9186 |
319 | WCE | 0.9186 |
320 | CIG | 0.9186 |
321 | XAN | 0.9185 |
322 | 4M4 | 0.9185 |
323 | KBG | 0.9184 |
324 | JFD | 0.9182 |
325 | 8GF | 0.9181 |
326 | F3B | 0.9180 |
327 | PRO | 0.9179 |
328 | 265 | 0.9178 |
329 | 284 | 0.9178 |
330 | CWM | 0.9175 |
331 | 54G | 0.9173 |
332 | CWS | 0.9172 |
333 | 42A | 0.9172 |
334 | AJV | 0.9169 |
335 | A2F | 0.9169 |
336 | 6AP | 0.9168 |
337 | 5M0 | 0.9167 |
338 | IGA | 0.9166 |
339 | NEQ | 0.9165 |
340 | TZC | 0.9163 |
341 | OAA | 0.9163 |
342 | 2ZV | 0.9162 |
343 | 6F0 | 0.9161 |
344 | LZM | 0.9160 |
345 | GRE | 0.9159 |
346 | 4NC | 0.9156 |
347 | 286 | 0.9155 |
348 | R8A | 0.9155 |
349 | CFP | 0.9150 |
350 | 6CS | 0.9149 |
351 | PXL | 0.9148 |
352 | BRT | 0.9147 |
353 | V55 | 0.9144 |
354 | JXN | 0.9144 |
355 | 141 | 0.9142 |
356 | 290 | 0.9142 |
357 | 2EC | 0.9141 |
358 | AX7 | 0.9140 |
359 | 270 | 0.9140 |
360 | MEW | 0.9140 |
361 | 60P | 0.9140 |
362 | IBF | 0.9138 |
363 | BOA | 0.9136 |
364 | Q24 | 0.9136 |
365 | YH7 | 0.9135 |
366 | 67N | 0.9134 |
367 | 273 | 0.9133 |
368 | 23A | 0.9132 |
369 | SX1 | 0.9132 |
370 | DUC | 0.9131 |
371 | YTB | 0.9130 |
372 | PYG | 0.9129 |
373 | SHG | 0.9128 |
374 | PE0 | 0.9124 |
375 | BCP | 0.9124 |
376 | 7VJ | 0.9123 |
377 | MUA | 0.9122 |
378 | DX4 | 0.9122 |
379 | P92 | 0.9120 |
380 | HH5 | 0.9118 |
381 | HEW | 0.9117 |
382 | HHA | 0.9117 |
383 | 5MK | 0.9115 |
384 | F0J | 0.9114 |
385 | JBN | 0.9114 |
386 | 6GU | 0.9113 |
387 | JAB | 0.9111 |
388 | ARB | 0.9111 |
389 | R8V | 0.9111 |
390 | AZ8 | 0.9110 |
391 | M3T | 0.9110 |
392 | 5OB | 0.9106 |
393 | 64K | 0.9106 |
394 | TBP | 0.9105 |
395 | M6N | 0.9103 |
396 | SOE | 0.9103 |
397 | KT7 | 0.9099 |
398 | HGQ | 0.9096 |
399 | XM0 | 0.9096 |
400 | B3R | 0.9095 |
401 | UNC | 0.9094 |
402 | 1XM | 0.9094 |
403 | 4H2 | 0.9094 |
404 | M5K | 0.9093 |
405 | 4HC | 0.9093 |
406 | JZ1 | 0.9090 |
407 | 2MI | 0.9089 |
408 | XBT | 0.9087 |
409 | 3FA | 0.9087 |
410 | JBQ | 0.9085 |
411 | AZG | 0.9085 |
412 | M1Q | 0.9085 |
413 | 3WA | 0.9083 |
414 | 6HQ | 0.9080 |
415 | 3MC | 0.9079 |
416 | OXC | 0.9079 |
417 | 2MY | 0.9078 |
418 | PFB | 0.9078 |
419 | J9W | 0.9076 |
420 | 14J | 0.9074 |
421 | AQO | 0.9073 |
422 | TMZ | 0.9072 |
423 | 9TZ | 0.9071 |
424 | 3Z8 | 0.9068 |
425 | MWP | 0.9068 |
426 | MRW | 0.9063 |
427 | SMV | 0.9063 |
428 | 2C9 | 0.9062 |
429 | FLM | 0.9060 |
430 | FOT | 0.9059 |
431 | C21 | 0.9059 |
432 | B60 | 0.9058 |
433 | DGJ | 0.9058 |
434 | NOJ | 0.9058 |
435 | QX2 | 0.9057 |
436 | MBD | 0.9054 |
437 | DFB | 0.9054 |
438 | M1H | 0.9053 |
439 | 6M1 | 0.9052 |
440 | DA1 | 0.9049 |
441 | XX2 | 0.9045 |
442 | ADK | 0.9045 |
443 | ISZ | 0.9043 |
444 | FUF | 0.9042 |
445 | 5XC | 0.9042 |
446 | MYJ | 0.9040 |
447 | HQE | 0.9040 |
448 | AJ2 | 0.9038 |
449 | ARA | 0.9038 |
450 | KJH | 0.9037 |
451 | RM4 | 0.9034 |
452 | BZ3 | 0.9034 |
453 | QWW | 0.9034 |
454 | 2HO | 0.9033 |
455 | 1P3 | 0.9033 |
456 | K2T | 0.9032 |
457 | FFP | 0.9032 |
458 | 93K | 0.9031 |
459 | FPN | 0.9030 |
460 | 0CU | 0.9030 |
461 | M1E | 0.9030 |
462 | DIN | 0.9029 |
463 | 282 | 0.9029 |
464 | 4AA | 0.9028 |
465 | GMN | 0.9028 |
466 | 2A9 | 0.9028 |
467 | HHQ | 0.9027 |
468 | INO | 0.9026 |
469 | SYV | 0.9026 |
470 | 25R | 0.9026 |
471 | 3HM | 0.9025 |
472 | MAQ | 0.9025 |
473 | FA0 | 0.9024 |
474 | MFB | 0.9024 |
475 | 3MA | 0.9024 |
476 | GOO | 0.9023 |
477 | NIZ | 0.9023 |
478 | 3SK | 0.9023 |
479 | 6MH | 0.9022 |
480 | M0Q | 0.9022 |
481 | M0W | 0.9021 |
482 | 12Q | 0.9021 |
483 | PCR | 0.9020 |
484 | 3RK | 0.9020 |
485 | ORO | 0.9019 |
486 | 7VS | 0.9018 |
487 | SYN | 0.9017 |
488 | RNS | 0.9016 |
489 | A7W | 0.9015 |
490 | DRL | 0.9014 |
491 | 3CE | 0.9012 |
492 | P9P | 0.9012 |
493 | FHB | 0.9011 |
494 | 7W1 | 0.9011 |
495 | DHB | 0.9009 |
496 | HIS | 0.9009 |
497 | LKA | 0.9008 |
498 | HQD | 0.9008 |
499 | 54D | 0.9006 |
500 | 4JT | 0.9006 |
501 | TM4 | 0.9005 |
502 | 4A3 | 0.9004 |
503 | NPO | 0.9004 |
504 | DUB | 0.9003 |
505 | FBB | 0.9002 |
506 | FCB | 0.9002 |
507 | PLQ | 0.9000 |
508 | 2CM | 0.9000 |
509 | 3MH | 0.9000 |
510 | VNJ | 0.9000 |
511 | XQG | 0.8999 |
512 | 2AK | 0.8999 |
513 | J9T | 0.8998 |
514 | G5V | 0.8998 |
515 | AZ9 | 0.8998 |
516 | 5WX | 0.8994 |
517 | 4XX | 0.8994 |
518 | 39A | 0.8993 |
519 | EUG | 0.8992 |
520 | IJZ | 0.8991 |
521 | MO8 | 0.8991 |
522 | LG4 | 0.8990 |
523 | PXY | 0.8990 |
524 | RIB | 0.8990 |
525 | QBK | 0.8988 |
526 | GLA | 0.8986 |
527 | HPY | 0.8985 |
528 | NNO | 0.8982 |
529 | 9TW | 0.8981 |
530 | EA1 | 0.8980 |
531 | YHO | 0.8980 |
532 | 285 | 0.8980 |
533 | F81 | 0.8975 |
534 | HLZ | 0.8973 |
535 | MR1 | 0.8971 |
536 | 3OC | 0.8970 |
537 | MLT | 0.8970 |
538 | JLZ | 0.8969 |
539 | DOB | 0.8968 |
540 | 5QX | 0.8968 |
541 | CFI | 0.8968 |
542 | FQI | 0.8967 |
543 | KYD | 0.8967 |
544 | PXM | 0.8966 |
545 | 23W | 0.8964 |
546 | 4M0 | 0.8964 |
547 | BML | 0.8964 |
548 | MAK | 0.8962 |
549 | 3IT | 0.8961 |
550 | 4HM | 0.8961 |
551 | AW5 | 0.8960 |
552 | CHB | 0.8960 |
553 | 4CH | 0.8960 |
554 | KIV | 0.8960 |
555 | 36R | 0.8956 |
556 | C2U | 0.8956 |
557 | 5VM | 0.8951 |
558 | ABN | 0.8948 |
559 | JUG | 0.8947 |
560 | PBR | 0.8945 |
561 | MAN | 0.8945 |
562 | VGD | 0.8940 |
563 | 4JN | 0.8940 |
564 | TTL | 0.8939 |
565 | PHB | 0.8938 |
566 | BTY | 0.8935 |
567 | SJ5 | 0.8934 |
568 | R8S | 0.8934 |
569 | NDM | 0.8932 |
570 | 1P8 | 0.8931 |
571 | KJU | 0.8930 |
572 | QSB | 0.8930 |
573 | TMT | 0.8930 |
574 | 2MH | 0.8930 |
575 | 82I | 0.8929 |
576 | CLW | 0.8928 |
577 | 95Z | 0.8928 |
578 | 3DM | 0.8928 |
579 | 4JQ | 0.8927 |
580 | URC | 0.8926 |
581 | ET2 | 0.8924 |
582 | 5NU | 0.8924 |
583 | FBV | 0.8923 |
584 | 5RN | 0.8922 |
585 | B62 | 0.8922 |
586 | HQT | 0.8922 |
587 | MT0 | 0.8919 |
588 | BHA | 0.8916 |
589 | DIU | 0.8915 |
590 | 0FO | 0.8914 |
591 | G1O | 0.8913 |
592 | G4D | 0.8912 |
593 | MQN | 0.8912 |
594 | XYL | 0.8910 |
595 | FAN | 0.8910 |
596 | H3M | 0.8907 |
597 | FBM | 0.8905 |
598 | YIO | 0.8905 |
599 | K5W | 0.8903 |
600 | 7MU | 0.8902 |
601 | ASC | 0.8899 |
602 | MNM | 0.8899 |
603 | 42C | 0.8898 |
604 | ZBT | 0.8898 |
605 | 4YO | 0.8896 |
606 | FPK | 0.8896 |
607 | Z82 | 0.8895 |
608 | 0TU | 0.8894 |
609 | CTS | 0.8894 |
610 | FRU | 0.8894 |
611 | XHP | 0.8892 |
612 | 2H5 | 0.8892 |
613 | TEP | 0.8890 |
614 | URP | 0.8890 |
615 | 5CU | 0.8889 |
616 | 173 | 0.8888 |
617 | DBJ | 0.8885 |
618 | B55 | 0.8885 |
619 | 2DR | 0.8884 |
620 | CTL | 0.8883 |
621 | 13X | 0.8882 |
622 | 44W | 0.8882 |
623 | 0N7 | 0.8881 |
624 | HJP | 0.8881 |
625 | PY7 | 0.8881 |
626 | DTL | 0.8881 |
627 | VNL | 0.8880 |
628 | F31 | 0.8880 |
629 | AX2 | 0.8878 |
630 | JA8 | 0.8878 |
631 | GIO | 0.8876 |
632 | ES2 | 0.8875 |
633 | 94N | 0.8875 |
634 | IV2 | 0.8874 |
635 | NOY | 0.8872 |
636 | DBX | 0.8870 |
637 | 6RQ | 0.8870 |
638 | IOL | 0.8870 |
639 | LMR | 0.8869 |
640 | HBD | 0.8866 |
641 | PYQ | 0.8865 |
642 | IFM | 0.8865 |
643 | WDL | 0.8864 |
644 | 8IG | 0.8863 |
645 | PCA | 0.8861 |
646 | HBX | 0.8861 |
647 | B57 | 0.8861 |
648 | 8OZ | 0.8861 |
649 | 2XX | 0.8860 |
650 | Q6T | 0.8860 |
651 | ASO | 0.8859 |
652 | 75K | 0.8858 |
653 | 6UA | 0.8858 |
654 | IHB | 0.8856 |
655 | 5ZE | 0.8856 |
656 | TFB | 0.8856 |
657 | 149 | 0.8855 |
658 | 6LW | 0.8854 |
659 | 3AY | 0.8853 |
660 | SRT | 0.8853 |
661 | 15E | 0.8852 |
662 | D07 | 0.8851 |
663 | HXX | 0.8851 |
664 | 260 | 0.8850 |
665 | SKA | 0.8848 |
666 | LCN | 0.8848 |
667 | 12M | 0.8847 |
668 | 8TX | 0.8847 |
669 | CFF | 0.8847 |
670 | BDP | 0.8840 |
671 | PBZ | 0.8839 |
672 | 0JD | 0.8839 |
673 | IF7 | 0.8838 |
674 | PAB | 0.8838 |
675 | ECE | 0.8837 |
676 | AZF | 0.8833 |
677 | C2A | 0.8833 |
678 | OTW | 0.8832 |
679 | FP1 | 0.8831 |
680 | 1Y6 | 0.8831 |
681 | 495 | 0.8831 |
682 | HZQ | 0.8831 |
683 | PYF | 0.8830 |
684 | IPB | 0.8830 |
685 | IFL | 0.8830 |
686 | ZWZ | 0.8830 |
687 | F9Y | 0.8829 |
688 | G2F | 0.8828 |
689 | PZI | 0.8827 |
690 | DIE | 0.8825 |
691 | GOX | 0.8825 |
692 | 2ZX | 0.8823 |
693 | 2FG | 0.8823 |
694 | 280 | 0.8823 |
695 | SWA | 0.8822 |
696 | HBA | 0.8820 |
697 | 4VP | 0.8820 |
698 | 4MA | 0.8819 |
699 | 826 | 0.8818 |
700 | F9P | 0.8818 |
701 | LSA | 0.8817 |
702 | 174 | 0.8815 |
703 | 5RO | 0.8813 |
704 | 5GU | 0.8813 |
705 | 5JL | 0.8813 |
706 | QX4 | 0.8812 |
707 | XAZ | 0.8809 |
708 | EYK | 0.8809 |
709 | MRZ | 0.8809 |
710 | DQU | 0.8805 |
711 | 5JQ | 0.8804 |
712 | 1DU | 0.8803 |
713 | JXW | 0.8800 |
714 | XCZ | 0.8799 |
715 | BR8 | 0.8799 |
716 | NDH | 0.8799 |
717 | TOF | 0.8798 |
718 | 8ZE | 0.8797 |
719 | PKU | 0.8797 |
720 | ERH | 0.8797 |
721 | 8WT | 0.8796 |
722 | JZ5 | 0.8796 |
723 | EVA | 0.8795 |
724 | ICO | 0.8794 |
725 | CGB | 0.8789 |
726 | MVN | 0.8788 |
727 | PAF | 0.8787 |
728 | X05 | 0.8786 |
729 | P3K | 0.8785 |
730 | 261 | 0.8785 |
731 | 2KT | 0.8785 |
732 | CIZ | 0.8782 |
733 | GLT | 0.8778 |
734 | 51R | 0.8778 |
735 | KG7 | 0.8777 |
736 | GCB | 0.8777 |
737 | URQ | 0.8776 |
738 | GZL | 0.8775 |
739 | 44V | 0.8775 |
740 | EKZ | 0.8775 |
741 | MXN | 0.8774 |
742 | GAF | 0.8773 |
743 | 2LP | 0.8772 |
744 | MFU | 0.8772 |
745 | ASP | 0.8772 |
746 | TBS | 0.8771 |
747 | TAR | 0.8770 |
748 | R2B | 0.8767 |
749 | 3SL | 0.8766 |
750 | DYA | 0.8765 |
751 | MZB | 0.8765 |
752 | SXS | 0.8763 |
753 | 8WO | 0.8763 |
754 | DOR | 0.8763 |
755 | SW7 | 0.8763 |
756 | SVD | 0.8761 |
757 | MZW | 0.8761 |
758 | LDP | 0.8760 |
759 | MB3 | 0.8760 |
760 | IP0 | 0.8760 |
761 | PRF | 0.8760 |
762 | OXZ | 0.8760 |
763 | UEG | 0.8760 |
764 | XUL | 0.8759 |
765 | 4P5 | 0.8757 |
766 | TFU | 0.8755 |
767 | 1DV | 0.8755 |
768 | UAN | 0.8754 |
769 | AC6 | 0.8753 |
770 | PQ0 | 0.8753 |
771 | NBE | 0.8753 |
772 | P72 | 0.8752 |
773 | MSN | 0.8752 |
774 | KSW | 0.8752 |
775 | 4JM | 0.8750 |
776 | SHA | 0.8749 |
777 | RMN | 0.8748 |
778 | AKH | 0.8748 |
779 | 2BG | 0.8747 |
780 | N8Y | 0.8746 |
781 | 7NI | 0.8746 |
782 | C5J | 0.8746 |
783 | H76 | 0.8746 |
784 | VOH | 0.8745 |
785 | 3FH | 0.8744 |
786 | 12B | 0.8742 |
787 | 6ME | 0.8742 |
788 | UY7 | 0.8742 |
789 | 37T | 0.8741 |
790 | 4MU | 0.8741 |
791 | X09 | 0.8740 |
792 | LRH | 0.8740 |
793 | 47J | 0.8736 |
794 | M2H | 0.8735 |
795 | NTM | 0.8733 |
796 | GXL | 0.8732 |
797 | FBT | 0.8731 |
798 | 948 | 0.8730 |
799 | 9FL | 0.8730 |
800 | X6X | 0.8730 |
801 | 717 | 0.8729 |
802 | RHU | 0.8727 |
803 | N2I | 0.8727 |
804 | FB2 | 0.8727 |
805 | PHH | 0.8725 |
806 | FPI | 0.8724 |
807 | HIU | 0.8723 |
808 | 6KX | 0.8723 |
809 | 7B3 | 0.8722 |
810 | Z6J | 0.8721 |
811 | ASN | 0.8721 |
812 | 5AN | 0.8720 |
813 | 1MR | 0.8720 |
814 | K17 | 0.8719 |
815 | 92K | 0.8717 |
816 | KLW | 0.8717 |
817 | XIY | 0.8717 |
818 | 4PW | 0.8717 |
819 | FSW | 0.8717 |
820 | ZVO | 0.8715 |
821 | KPL | 0.8714 |
822 | HIO | 0.8713 |
823 | OVM | 0.8712 |
824 | PHT | 0.8711 |
825 | 1DQ | 0.8710 |
826 | D1X | 0.8710 |
827 | 3MB | 0.8707 |
828 | IPH | 0.8706 |
829 | YSO | 0.8706 |
830 | BSX | 0.8701 |
831 | OK7 | 0.8701 |
832 | PA1 | 0.8700 |
833 | DTI | 0.8697 |
834 | 680 | 0.8697 |
835 | MLI | 0.8694 |
836 | NQ | 0.8693 |
837 | JND | 0.8689 |
838 | 9KT | 0.8689 |
839 | GOG | 0.8689 |
840 | OW4 | 0.8689 |
841 | MLA | 0.8688 |
842 | 1M2 | 0.8686 |
843 | 069 | 0.8685 |
844 | FBW | 0.8684 |
845 | MS9 | 0.8684 |
846 | 1KP | 0.8682 |
847 | TSS | 0.8680 |
848 | VK3 | 0.8678 |
849 | TGX | 0.8674 |
850 | ICC | 0.8671 |
851 | M2K | 0.8671 |
852 | APZ | 0.8671 |
853 | AFR | 0.8670 |
854 | RXA | 0.8670 |
855 | TCZ | 0.8668 |
856 | 4HS | 0.8667 |
857 | MBG | 0.8667 |
858 | 9PO | 0.8665 |
859 | MMZ | 0.8665 |
860 | S76 | 0.8664 |
861 | 2AL | 0.8661 |
862 | CYH | 0.8660 |
863 | INE | 0.8659 |
864 | 329 | 0.8659 |
865 | SRO | 0.8658 |
866 | JYB | 0.8653 |
867 | IFP | 0.8653 |
868 | KDV | 0.8651 |
869 | DHK | 0.8651 |
870 | DMJ | 0.8650 |
871 | 4JL | 0.8650 |
872 | BEA | 0.8647 |
873 | 9CA | 0.8647 |
874 | AJY | 0.8643 |
875 | RB5 | 0.8643 |
876 | 24T | 0.8642 |
877 | PMB | 0.8642 |
878 | FB1 | 0.8640 |
879 | MBN | 0.8640 |
880 | SOR | 0.8640 |
881 | GIF | 0.8640 |
882 | K34 | 0.8639 |
883 | 1IT | 0.8638 |
884 | 1AB | 0.8638 |
885 | O7U | 0.8638 |
886 | OVP | 0.8637 |
887 | AGK | 0.8637 |
888 | TLA | 0.8634 |
889 | 7ZE | 0.8633 |
890 | 2ZQ | 0.8631 |
891 | PRY | 0.8630 |
892 | GCU | 0.8630 |
893 | JZ4 | 0.8629 |
894 | OHG | 0.8627 |
895 | NID | 0.8625 |
896 | DXX | 0.8625 |
897 | KP6 | 0.8623 |
898 | AMG | 0.8623 |
899 | RPQ | 0.8621 |
900 | HVK | 0.8620 |
901 | C2B | 0.8620 |
902 | GIV | 0.8618 |
903 | PHU | 0.8617 |
904 | FDK | 0.8613 |
905 | GJS | 0.8612 |
906 | 2AP | 0.8610 |
907 | HRZ | 0.8608 |
908 | 1GN | 0.8605 |
909 | GDE | 0.8605 |
910 | 3AP | 0.8601 |
911 | SFU | 0.8601 |
912 | GXE | 0.8600 |
913 | WOT | 0.8600 |
914 | CEJ | 0.8600 |
915 | 4WL | 0.8598 |
916 | HAI | 0.8592 |
917 | A13 | 0.8591 |
918 | 4AP | 0.8587 |
919 | 3PY | 0.8586 |
920 | GM7 | 0.8585 |
921 | DPZ | 0.8585 |
922 | FUB | 0.8585 |
923 | LGA | 0.8584 |
924 | DMI | 0.8584 |
925 | E60 | 0.8583 |
926 | CN0 | 0.8581 |
927 | LI6 | 0.8580 |
928 | K8X | 0.8580 |
929 | FH2 | 0.8574 |
930 | KIB | 0.8570 |
931 | ALO | 0.8568 |
932 | HYN | 0.8566 |
933 | IPZ | 0.8558 |
934 | DNF | 0.8557 |
935 | GZ8 | 0.8554 |
936 | ZXD | 0.8554 |
937 | UQ | 0.8552 |
938 | 0LH | 0.8547 |
939 | 3R6 | 0.8547 |
940 | P2D | 0.8546 |
941 | K6X | 0.8539 |
942 | RUU | 0.8530 |
943 | 0HO | 0.8521 |
944 | PYJ | 0.8520 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AMP | 0.9424 |
2 | CNU | 0.9356 |
3 | G | 0.9315 |
4 | IMP | 0.9309 |
5 | 5GP | 0.9288 |
6 | C2R | 0.9231 |
7 | 8BR | 0.9229 |
8 | DU | 0.9224 |
9 | TMP | 0.9209 |
10 | C5P | 0.9197 |
11 | U | 0.9195 |
12 | U5P | 0.9190 |
13 | 5HU | 0.9166 |
14 | DA | 0.9157 |
15 | UFP | 0.9146 |
16 | 5FU | 0.9141 |
17 | 5BU | 0.9136 |
18 | TKW | 0.9135 |
19 | UMP | 0.9130 |
20 | BRU | 0.9125 |
21 | AMZ | 0.9120 |
22 | C | 0.9115 |
23 | NIA | 0.9103 |
24 | FMP | 0.9101 |
25 | 5CM | 0.9094 |
26 | PFU | 0.9060 |
27 | 5IU | 0.9049 |
28 | QBT | 0.9033 |
29 | FNU | 0.9029 |
30 | IMU | 0.9014 |
31 | XMP | 0.9007 |
32 | NYM | 0.9004 |
33 | DUS | 0.8991 |
34 | 8OP | 0.8988 |
35 | IRP | 0.8981 |
36 | 6MA | 0.8975 |
37 | H2U | 0.8973 |
38 | 2DT | 0.8973 |
39 | D4M | 0.8973 |
40 | DCM | 0.8960 |
41 | D5M | 0.8951 |
42 | CAR | 0.8942 |
43 | DGP | 0.8934 |
44 | CH | 0.8928 |
45 | FN5 | 0.8928 |
46 | 5HM | 0.8912 |
47 | 6MZ | 0.8906 |
48 | BVP | 0.8900 |
49 | 9L3 | 0.8890 |
50 | FDM | 0.8884 |
51 | AS | 0.8877 |
52 | 6CG | 0.8875 |
53 | QIU | 0.8871 |
54 | N5O | 0.8867 |
55 | DG | 0.8859 |
56 | ZAS | 0.8857 |
57 | 71V | 0.8857 |
58 | T3S | 0.8854 |
59 | UMC | 0.8850 |
60 | J7C | 0.8830 |
61 | 93A | 0.8825 |
62 | M8Q | 0.8823 |
63 | U4S | 0.8807 |
64 | 6OG | 0.8801 |
65 | 8GM | 0.8799 |
66 | 6RE | 0.8799 |
67 | NEC | 0.8796 |
68 | DC | 0.8795 |
69 | 16B | 0.8789 |
70 | Z8B | 0.8772 |
71 | AOC | 0.8771 |
72 | PSU | 0.8769 |
73 | EU2 | 0.8765 |
74 | NWQ | 0.8747 |
75 | 7D5 | 0.8746 |
76 | MTA | 0.8737 |
77 | 8EQ | 0.8736 |
78 | SU1 | 0.8734 |
79 | ATM | 0.8727 |
80 | BMP | 0.8724 |
81 | BMQ | 0.8722 |
82 | G7M | 0.8718 |
83 | 8OG | 0.8712 |
84 | FYK | 0.8708 |
85 | DOC | 0.8701 |
86 | NUP | 0.8672 |
87 | A3N | 0.8660 |
88 | DDN | 0.8658 |
89 | 1QJ | 0.8620 |
90 | ICR | 0.8615 |
91 | 43J | 0.8610 |
92 | PP3 | 0.8606 |
93 | U3S | 0.8604 |
94 | 4ZK | 0.8592 |
95 | U1S | 0.8575 |
96 | U2S | 0.8570 |
97 | CA0 | 0.8562 |
98 | 0JO | 0.8543 |
This union binding pocket(no: 1) in the query (biounit: 4kqi.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4kqi.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4kqi.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4kqi.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |