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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 4 families. | |||||
1 | 3HJQ | Ki = 6.5 uM | MBD | C7 H8 O2 | Cc1cccc(c1.... |
2 | 3HKP | Ki = 310 uM | DHB | C7 H6 O4 | c1cc(c(cc1.... |
3 | 3I4V | Ki = 0.7 uM | 3CE | C6 H5 Cl O2 | c1cc(c(c(c.... |
4 | 3HHY | Ki = 3 uM | CAQ | C6 H6 O2 | c1ccc(c(c1.... |
5 | 3HJ8 | Ki = 1.5 uM | 4CL | C6 H5 Cl O2 | c1cc(c(cc1.... |
6 | 3HGI | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
7 | 3HJS | Ki = 4 uM | MCT | C7 H8 O2 | Cc1ccc(c(c.... |
8 | 3I4Y | Ki = 0.09 uM | 35C | C6 H4 Cl2 O2 | c1c(cc(c(c.... |
9 | 3HHX | Ki = 4.5 uM | PYG | C6 H6 O3 | c1cc(c(c(c.... |
10 | 3I51 | Ki = 0.02 uM | 45C | C6 H4 Cl2 O2 | c1c(c(cc(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3HJQ | Ki = 6.5 uM | MBD | C7 H8 O2 | Cc1cccc(c1.... |
2 | 3HKP | Ki = 310 uM | DHB | C7 H6 O4 | c1cc(c(cc1.... |
3 | 3I4V | Ki = 0.7 uM | 3CE | C6 H5 Cl O2 | c1cc(c(c(c.... |
4 | 3HHY | Ki = 3 uM | CAQ | C6 H6 O2 | c1ccc(c(c1.... |
5 | 3HJ8 | Ki = 1.5 uM | 4CL | C6 H5 Cl O2 | c1cc(c(cc1.... |
6 | 3HGI | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
7 | 3HJS | Ki = 4 uM | MCT | C7 H8 O2 | Cc1ccc(c(c.... |
8 | 3I4Y | Ki = 0.09 uM | 35C | C6 H4 Cl2 O2 | c1c(cc(c(c.... |
9 | 3HHX | Ki = 4.5 uM | PYG | C6 H6 O3 | c1cc(c(c(c.... |
10 | 3I51 | Ki = 0.02 uM | 45C | C6 H4 Cl2 O2 | c1c(c(cc(c.... |
11 | 2BOY | - | BHO | C7 H7 N O2 | c1ccc(cc1).... |
12 | 1S9A | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PC7 | 1 | 1 |
2 | HGP | 1 | 1 |
3 | 6PL | 1 | 1 |
4 | LIO | 1 | 1 |
5 | HGX | 1 | 1 |
6 | PX4 | 1 | 1 |
7 | PLD | 1 | 1 |
8 | XP5 | 0.935484 | 1 |
9 | HXG | 0.873016 | 1 |
10 | PCW | 0.871429 | 0.981481 |
11 | PCK | 0.847222 | 0.946429 |
12 | 3PE | 0.80303 | 0.793103 |
13 | PEV | 0.80303 | 0.793103 |
14 | 8PE | 0.80303 | 0.793103 |
15 | PEF | 0.80303 | 0.793103 |
16 | PEH | 0.80303 | 0.793103 |
17 | PTY | 0.80303 | 0.793103 |
18 | PSC | 0.792208 | 0.981481 |
19 | 9PE | 0.791045 | 0.793103 |
20 | PEE | 0.764706 | 0.810345 |
21 | CD4 | 0.735294 | 0.727273 |
22 | PC1 | 0.732394 | 0.924528 |
23 | MC3 | 0.732394 | 0.924528 |
24 | PCF | 0.732394 | 0.924528 |
25 | PGT | 0.714286 | 0.701754 |
26 | LHG | 0.714286 | 0.701754 |
27 | 6OU | 0.706667 | 0.779661 |
28 | L9Q | 0.706667 | 0.779661 |
29 | LOP | 0.706667 | 0.779661 |
30 | RXY | 0.697368 | 0.779661 |
31 | P5S | 0.694444 | 0.745763 |
32 | K6G | 0.685714 | 0.963636 |
33 | LP3 | 0.685714 | 0.963636 |
34 | LPC | 0.685714 | 0.963636 |
35 | LAP | 0.685714 | 0.963636 |
36 | F57 | 0.681818 | 0.727273 |
37 | 7PH | 0.681818 | 0.727273 |
38 | 6PH | 0.681818 | 0.727273 |
39 | LPP | 0.681818 | 0.727273 |
40 | 3PH | 0.681818 | 0.727273 |
41 | 8SP | 0.680556 | 0.745763 |
42 | 7P9 | 0.671642 | 0.727273 |
43 | PX2 | 0.671642 | 0.773585 |
44 | PX8 | 0.671642 | 0.773585 |
45 | ZPE | 0.666667 | 0.779661 |
46 | CN3 | 0.657895 | 0.727273 |
47 | PA8 | 0.656716 | 0.773585 |
48 | LBN | 0.65 | 0.907407 |
49 | L9R | 0.65 | 0.907407 |
50 | POV | 0.65 | 0.907407 |
51 | GP7 | 0.638554 | 0.779661 |
52 | PEK | 0.634146 | 0.779661 |
53 | PGW | 0.632911 | 0.689655 |
54 | D3D | 0.632911 | 0.689655 |
55 | PII | 0.631579 | 0.655738 |
56 | CN6 | 0.631579 | 0.727273 |
57 | PD7 | 0.626866 | 0.727273 |
58 | DR9 | 0.625 | 0.689655 |
59 | PGV | 0.625 | 0.689655 |
60 | P6L | 0.617284 | 0.689655 |
61 | PGK | 0.617284 | 0.666667 |
62 | PIF | 0.615385 | 0.645161 |
63 | 44G | 0.611111 | 0.701754 |
64 | P50 | 0.609756 | 0.745763 |
65 | OZ2 | 0.609756 | 0.689655 |
66 | CDL | 0.608108 | 0.722222 |
67 | 42H | 0.607595 | 0.946429 |
68 | PIZ | 0.604938 | 0.655738 |
69 | M7U | 0.6 | 0.727273 |
70 | D21 | 0.6 | 0.714286 |
71 | DGG | 0.595238 | 0.666667 |
72 | PSF | 0.594595 | 0.745763 |
73 | 43Y | 0.594203 | 0.962264 |
74 | 52N | 0.592593 | 0.645161 |
75 | PIO | 0.592593 | 0.645161 |
76 | IP9 | 0.592593 | 0.655738 |
77 | PG8 | 0.578947 | 0.701754 |
78 | DLP | 0.574713 | 0.907407 |
79 | 44E | 0.573529 | 0.727273 |
80 | B7N | 0.564706 | 0.645161 |
81 | 8ND | 0.56338 | 0.614035 |
82 | PC5 | 0.56 | 0.824561 |
83 | PDK | 0.55914 | 0.777778 |
84 | AGA | 0.544304 | 0.701754 |
85 | EPH | 0.537634 | 0.779661 |
86 | LPX | 0.533333 | 0.775862 |
87 | 3PC | 0.531646 | 0.90566 |
88 | PIE | 0.522727 | 0.629032 |
89 | P3A | 0.505618 | 0.689655 |
90 | T7X | 0.505376 | 0.645161 |
91 | PQJ | 0.477612 | 0.886792 |
92 | OPC | 0.472527 | 0.963636 |
93 | LPE | 0.467532 | 0.909091 |
94 | NKO | 0.452055 | 0.696429 |
95 | NKN | 0.452055 | 0.696429 |
96 | CN5 | 0.451219 | 0.745455 |
97 | SPU | 0.445783 | 0.803279 |
98 | 3XU | 0.44086 | 0.809524 |
99 | OCB | 0.438356 | 0.796296 |
100 | S12 | 0.41573 | 0.716667 |
101 | I35 | 0.409639 | 0.606557 |
102 | NKP | 0.402439 | 0.684211 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 4JJ | 1.0000 |
2 | 27Y | 1.0000 |
3 | BR9 | 1.0000 |
4 | MCT | 1.0000 |
5 | MWJ | 1.0000 |
6 | 4HO | 0.9995 |
7 | XYD | 0.9975 |
8 | 2AC | 0.9975 |
9 | QOS | 0.9968 |
10 | A1U | 0.9968 |
11 | URF | 0.9962 |
12 | MWM | 0.9958 |
13 | TH0 | 0.9956 |
14 | XBZ | 0.9955 |
15 | PYD | 0.9954 |
16 | ICP | 0.9954 |
17 | 1MC | 0.9954 |
18 | 2YU | 0.9951 |
19 | 5MH | 0.9945 |
20 | 4ZE | 0.9939 |
21 | 34A | 0.9931 |
22 | TDR | 0.9922 |
23 | 2MP | 0.9921 |
24 | TM7 | 0.9915 |
25 | WBU | 0.9909 |
26 | 43M | 0.9909 |
27 | HT4 | 0.9901 |
28 | Y8I | 0.9886 |
29 | 5UC | 0.9886 |
30 | XYP | 0.9867 |
31 | LXC | 0.9842 |
32 | 4JO | 0.9840 |
33 | AHR | 0.9804 |
34 | TLD | 0.9800 |
35 | 3Z7 | 0.9772 |
36 | 4XR | 0.9751 |
37 | IUR | 0.9740 |
38 | 3ZQ | 0.9738 |
39 | 1PT | 0.9737 |
40 | FPY | 0.9715 |
41 | 2MH | 0.9701 |
42 | CRS | 0.9694 |
43 | RCO | 0.9694 |
44 | 4JU | 0.9694 |
45 | 40O | 0.9687 |
46 | 284 | 0.9673 |
47 | LG5 | 0.9656 |
48 | 3CH | 0.9654 |
49 | CAQ | 0.9647 |
50 | URA | 0.9645 |
51 | OXE | 0.9642 |
52 | ZZT | 0.9641 |
53 | LG3 | 0.9640 |
54 | 4HS | 0.9639 |
55 | XYS | 0.9638 |
56 | B3R | 0.9633 |
57 | 26D | 0.9633 |
58 | CYT | 0.9633 |
59 | RIP | 0.9630 |
60 | 2CQ | 0.9629 |
61 | T6C | 0.9624 |
62 | M3T | 0.9618 |
63 | BVF | 0.9617 |
64 | HQE | 0.9616 |
65 | HMH | 0.9615 |
66 | BML | 0.9613 |
67 | PCR | 0.9612 |
68 | HEW | 0.9611 |
69 | L89 | 0.9607 |
70 | PXY | 0.9607 |
71 | CIG | 0.9600 |
72 | FUC | 0.9598 |
73 | 35C | 0.9596 |
74 | 0MK | 0.9593 |
75 | FUL | 0.9593 |
76 | IOL | 0.9590 |
77 | 4JN | 0.9589 |
78 | 4CH | 0.9589 |
79 | 8GF | 0.9589 |
80 | LG4 | 0.9588 |
81 | 150 | 0.9587 |
82 | 25R | 0.9586 |
83 | 4H2 | 0.9578 |
84 | AMC | 0.9577 |
85 | HGQ | 0.9573 |
86 | HX3 | 0.9570 |
87 | IDH | 0.9568 |
88 | F4Z | 0.9564 |
89 | 1WG | 0.9563 |
90 | KOJ | 0.9563 |
91 | BZX | 0.9562 |
92 | RSF | 0.9560 |
93 | JIF | 0.9557 |
94 | FPI | 0.9556 |
95 | HHQ | 0.9554 |
96 | 92Z | 0.9553 |
97 | FP2 | 0.9553 |
98 | 45C | 0.9551 |
99 | 7MH | 0.9551 |
100 | 24B | 0.9551 |
101 | FYU | 0.9549 |
102 | 1AN | 0.9548 |
103 | 2AF | 0.9546 |
104 | 8LG | 0.9546 |
105 | PLQ | 0.9546 |
106 | NK | 0.9545 |
107 | 282 | 0.9545 |
108 | 23A | 0.9542 |
109 | 8H8 | 0.9541 |
110 | FPN | 0.9538 |
111 | DA1 | 0.9532 |
112 | 285 | 0.9531 |
113 | JZ0 | 0.9530 |
114 | TC7 | 0.9530 |
115 | 1DW | 0.9530 |
116 | 6AI | 0.9528 |
117 | NSP | 0.9524 |
118 | GLC | 0.9524 |
119 | JZ3 | 0.9521 |
120 | BEW | 0.9516 |
121 | DUC | 0.9516 |
122 | DFU | 0.9515 |
123 | 93Q | 0.9514 |
124 | 0TR | 0.9514 |
125 | 76X | 0.9511 |
126 | 0R0 | 0.9511 |
127 | 2CH | 0.9508 |
128 | G6D | 0.9508 |
129 | HBA | 0.9506 |
130 | TH7 | 0.9505 |
131 | ARB | 0.9497 |
132 | 5MI | 0.9495 |
133 | ES9 | 0.9493 |
134 | PHB | 0.9490 |
135 | 5MB | 0.9488 |
136 | 7CZ | 0.9488 |
137 | SYN | 0.9487 |
138 | H4N | 0.9481 |
139 | DEN | 0.9477 |
140 | PYG | 0.9477 |
141 | 11S | 0.9475 |
142 | 3XX | 0.9475 |
143 | CYH | 0.9475 |
144 | H8N | 0.9474 |
145 | TBP | 0.9461 |
146 | 938 | 0.9460 |
147 | 25W | 0.9460 |
148 | 14O | 0.9459 |
149 | DFB | 0.9459 |
150 | CXL | 0.9459 |
151 | TMT | 0.9456 |
152 | ADE | 0.9456 |
153 | 5H1 | 0.9455 |
154 | FK1 | 0.9453 |
155 | HTS | 0.9453 |
156 | HBX | 0.9453 |
157 | ABN | 0.9450 |
158 | HAI | 0.9450 |
159 | HPA | 0.9448 |
160 | BZF | 0.9445 |
161 | F60 | 0.9443 |
162 | 2K4 | 0.9442 |
163 | 4XX | 0.9442 |
164 | H3M | 0.9442 |
165 | IND | 0.9433 |
166 | TMZ | 0.9431 |
167 | GVH | 0.9425 |
168 | PY7 | 0.9425 |
169 | HPY | 0.9425 |
170 | NOJ | 0.9425 |
171 | JFD | 0.9424 |
172 | BTE | 0.9422 |
173 | RIB | 0.9420 |
174 | BZI | 0.9417 |
175 | F81 | 0.9415 |
176 | 0R1 | 0.9414 |
177 | 6X8 | 0.9412 |
178 | 275 | 0.9411 |
179 | Q88 | 0.9411 |
180 | XXR | 0.9407 |
181 | ECE | 0.9406 |
182 | AX7 | 0.9405 |
183 | F05 | 0.9403 |
184 | C2B | 0.9402 |
185 | 270 | 0.9401 |
186 | LZ1 | 0.9399 |
187 | CWM | 0.9399 |
188 | J1Z | 0.9399 |
189 | 3MC | 0.9398 |
190 | PYF | 0.9395 |
191 | YAN | 0.9395 |
192 | 10L | 0.9393 |
193 | 9DA | 0.9392 |
194 | 9HX | 0.9391 |
195 | 6MH | 0.9391 |
196 | 4VP | 0.9390 |
197 | V55 | 0.9388 |
198 | MPI | 0.9383 |
199 | DGJ | 0.9383 |
200 | ES0 | 0.9381 |
201 | 3FA | 0.9381 |
202 | FCA | 0.9380 |
203 | 1XX | 0.9380 |
204 | MBD | 0.9380 |
205 | ABV | 0.9380 |
206 | 3CE | 0.9377 |
207 | 0CT | 0.9376 |
208 | 8NY | 0.9375 |
209 | DUB | 0.9372 |
210 | ABE | 0.9371 |
211 | IDM | 0.9370 |
212 | 2MI | 0.9369 |
213 | PM6 | 0.9369 |
214 | GXE | 0.9369 |
215 | 4M4 | 0.9369 |
216 | 2C9 | 0.9368 |
217 | HMU | 0.9368 |
218 | ADZ | 0.9366 |
219 | 7HP | 0.9364 |
220 | HIU | 0.9363 |
221 | 6MP | 0.9358 |
222 | 4JP | 0.9357 |
223 | TM4 | 0.9356 |
224 | 7WA | 0.9356 |
225 | ES4 | 0.9356 |
226 | P3K | 0.9355 |
227 | GMN | 0.9353 |
228 | 9EW | 0.9353 |
229 | XQ0 | 0.9351 |
230 | BGC | 0.9350 |
231 | 2MY | 0.9347 |
232 | 1P7 | 0.9344 |
233 | 286 | 0.9341 |
234 | FFP | 0.9337 |
235 | SAL | 0.9336 |
236 | 9X7 | 0.9335 |
237 | HLR | 0.9334 |
238 | 2CM | 0.9333 |
239 | IPH | 0.9333 |
240 | S76 | 0.9333 |
241 | 2A9 | 0.9330 |
242 | F0J | 0.9329 |
243 | BP1 | 0.9329 |
244 | YCP | 0.9329 |
245 | BEZ | 0.9324 |
246 | 0RW | 0.9323 |
247 | GCS | 0.9321 |
248 | 1MR | 0.9320 |
249 | 4HM | 0.9318 |
250 | FLM | 0.9317 |
251 | MBN | 0.9316 |
252 | ISN | 0.9315 |
253 | ICC | 0.9312 |
254 | 5B1 | 0.9311 |
255 | FUF | 0.9308 |
256 | SVN | 0.9308 |
257 | GYE | 0.9308 |
258 | C2A | 0.9304 |
259 | SOE | 0.9303 |
260 | 2DR | 0.9299 |
261 | 64K | 0.9299 |
262 | 7B4 | 0.9298 |
263 | F5B | 0.9298 |
264 | CYS | 0.9297 |
265 | TTO | 0.9294 |
266 | G3F | 0.9294 |
267 | GAL | 0.9292 |
268 | MLT | 0.9290 |
269 | FCB | 0.9290 |
270 | IFM | 0.9290 |
271 | WOT | 0.9289 |
272 | 3AP | 0.9287 |
273 | AZF | 0.9286 |
274 | 8CL | 0.9285 |
275 | 4JL | 0.9283 |
276 | NCA | 0.9283 |
277 | OXQ | 0.9281 |
278 | FBA | 0.9280 |
279 | YHO | 0.9278 |
280 | QUZ | 0.9276 |
281 | HGW | 0.9276 |
282 | NPY | 0.9276 |
283 | HHN | 0.9274 |
284 | M1A | 0.9273 |
285 | 2D0 | 0.9273 |
286 | 23W | 0.9273 |
287 | BEN | 0.9273 |
288 | JB5 | 0.9271 |
289 | 5AN | 0.9271 |
290 | NEQ | 0.9270 |
291 | PIH | 0.9269 |
292 | 4AP | 0.9267 |
293 | G4D | 0.9266 |
294 | 2AP | 0.9265 |
295 | R2B | 0.9263 |
296 | 6M9 | 0.9263 |
297 | 2IM | 0.9263 |
298 | 7W4 | 0.9260 |
299 | G2F | 0.9255 |
300 | AX2 | 0.9254 |
301 | 8S0 | 0.9253 |
302 | GBD | 0.9252 |
303 | EUG | 0.9252 |
304 | DTL | 0.9250 |
305 | KKN | 0.9247 |
306 | HVK | 0.9247 |
307 | 6M4 | 0.9246 |
308 | 6UA | 0.9245 |
309 | 2ZX | 0.9244 |
310 | 5ZE | 0.9242 |
311 | OXZ | 0.9242 |
312 | HRZ | 0.9241 |
313 | BR8 | 0.9241 |
314 | XM0 | 0.9241 |
315 | 94N | 0.9239 |
316 | LMR | 0.9238 |
317 | RAM | 0.9238 |
318 | 5WV | 0.9234 |
319 | 3DM | 0.9234 |
320 | 13X | 0.9234 |
321 | NIO | 0.9233 |
322 | BE2 | 0.9232 |
323 | 6CS | 0.9232 |
324 | LDU | 0.9229 |
325 | 9PO | 0.9228 |
326 | NBZ | 0.9228 |
327 | 9CL | 0.9227 |
328 | ES5 | 0.9227 |
329 | COU | 0.9227 |
330 | 6PC | 0.9227 |
331 | 03V | 0.9226 |
332 | 5XC | 0.9225 |
333 | BAM | 0.9225 |
334 | ES7 | 0.9224 |
335 | 1SQ | 0.9223 |
336 | 1DH | 0.9223 |
337 | 6HQ | 0.9223 |
338 | 3F0 | 0.9222 |
339 | 1LM | 0.9222 |
340 | FP1 | 0.9222 |
341 | 2AQ | 0.9221 |
342 | 4FS | 0.9221 |
343 | DBH | 0.9221 |
344 | JZ1 | 0.9221 |
345 | 24W | 0.9221 |
346 | 7HQ | 0.9218 |
347 | 3U4 | 0.9218 |
348 | ES6 | 0.9217 |
349 | FE DB1 | 0.9215 |
350 | LGA | 0.9215 |
351 | RM1 | 0.9215 |
352 | 67N | 0.9214 |
353 | 3MH | 0.9213 |
354 | 4NC | 0.9213 |
355 | 3AY | 0.9212 |
356 | LZM | 0.9212 |
357 | JPZ | 0.9211 |
358 | N5J | 0.9211 |
359 | 4JM | 0.9210 |
360 | 1XM | 0.9210 |
361 | 5Q0 | 0.9208 |
362 | INO | 0.9208 |
363 | 3HA | 0.9207 |
364 | NOY | 0.9207 |
365 | I3A | 0.9206 |
366 | OHG | 0.9206 |
367 | 1NP | 0.9204 |
368 | 42A | 0.9204 |
369 | 2KT | 0.9203 |
370 | 5NU | 0.9203 |
371 | 3M0 | 0.9202 |
372 | 4YS | 0.9201 |
373 | AZA | 0.9201 |
374 | 1LQ | 0.9200 |
375 | JAE | 0.9200 |
376 | B53 | 0.9200 |
377 | EXO | 0.9200 |
378 | BOA | 0.9199 |
379 | KIV | 0.9199 |
380 | WDL | 0.9198 |
381 | 261 | 0.9197 |
382 | ARA | 0.9197 |
383 | NNO | 0.9196 |
384 | 5IQ | 0.9195 |
385 | 25T | 0.9195 |
386 | OAA | 0.9195 |
387 | JBH | 0.9194 |
388 | GUN | 0.9194 |
389 | MAK | 0.9192 |
390 | DSN | 0.9191 |
391 | JZ9 | 0.9190 |
392 | 5SG | 0.9189 |
393 | 24T | 0.9189 |
394 | ES1 | 0.9188 |
395 | MB3 | 0.9188 |
396 | GAG | 0.9187 |
397 | HY3 | 0.9187 |
398 | RM4 | 0.9187 |
399 | 8GC | 0.9186 |
400 | O72 | 0.9185 |
401 | FAN | 0.9185 |
402 | 5CU | 0.9185 |
403 | DHB | 0.9184 |
404 | 4A3 | 0.9183 |
405 | 6AP | 0.9182 |
406 | IF7 | 0.9182 |
407 | 5RG | 0.9180 |
408 | 3DO | 0.9179 |
409 | 1DU | 0.9178 |
410 | H42 | 0.9177 |
411 | 4M0 | 0.9176 |
412 | E60 | 0.9175 |
413 | 82I | 0.9175 |
414 | HQY | 0.9174 |
415 | 93K | 0.9174 |
416 | 5M0 | 0.9172 |
417 | 3HM | 0.9172 |
418 | YH7 | 0.9171 |
419 | PYJ | 0.9171 |
420 | VAL | 0.9171 |
421 | ERH | 0.9170 |
422 | 2H5 | 0.9170 |
423 | 9DG | 0.9167 |
424 | FA0 | 0.9167 |
425 | KG7 | 0.9166 |
426 | GTQ | 0.9166 |
427 | PZA | 0.9165 |
428 | YTB | 0.9165 |
429 | 1AB | 0.9164 |
430 | 2HO | 0.9163 |
431 | 280 | 0.9163 |
432 | DOB | 0.9162 |
433 | FHB | 0.9162 |
434 | AC0 | 0.9162 |
435 | SWD | 0.9161 |
436 | XAN | 0.9161 |
437 | OCH | 0.9160 |
438 | IFL | 0.9160 |
439 | 717 | 0.9158 |
440 | 4SV | 0.9157 |
441 | 2EC | 0.9157 |
442 | LDP | 0.9156 |
443 | MFB | 0.9155 |
444 | HH5 | 0.9154 |
445 | EDG | 0.9153 |
446 | BP9 | 0.9151 |
447 | MZW | 0.9151 |
448 | 2CK | 0.9151 |
449 | NTN | 0.9151 |
450 | APY | 0.9150 |
451 | GAB | 0.9150 |
452 | BSX | 0.9149 |
453 | 2A7 | 0.9149 |
454 | 0CU | 0.9148 |
455 | KSW | 0.9148 |
456 | BHA | 0.9147 |
457 | BCP | 0.9147 |
458 | 5AC | 0.9146 |
459 | CEJ | 0.9145 |
460 | 4CS | 0.9144 |
461 | FOA | 0.9143 |
462 | L3Q | 0.9143 |
463 | 2XX | 0.9142 |
464 | DGY | 0.9142 |
465 | 265 | 0.9141 |
466 | PRO | 0.9141 |
467 | RSO | 0.9141 |
468 | 2FG | 0.9140 |
469 | HSE | 0.9139 |
470 | SER | 0.9136 |
471 | DMG | 0.9136 |
472 | DTI | 0.9135 |
473 | VGL | 0.9135 |
474 | A2F | 0.9134 |
475 | 12M | 0.9134 |
476 | 7EX | 0.9134 |
477 | P9P | 0.9133 |
478 | 3RK | 0.9133 |
479 | 3PY | 0.9132 |
480 | 93B | 0.9130 |
481 | PYC | 0.9127 |
482 | 3HB | 0.9127 |
483 | A2Q | 0.9125 |
484 | SS1 | 0.9124 |
485 | MYJ | 0.9123 |
486 | 54G | 0.9122 |
487 | 290 | 0.9122 |
488 | 14J | 0.9122 |
489 | 60P | 0.9121 |
490 | IT2 | 0.9120 |
491 | 5OB | 0.9119 |
492 | TP5 | 0.9118 |
493 | 141 | 0.9117 |
494 | RNS | 0.9116 |
495 | UNU | 0.9115 |
496 | AGK | 0.9115 |
497 | 149 | 0.9115 |
498 | 3ID | 0.9114 |
499 | R8S | 0.9112 |
500 | PEA | 0.9111 |
501 | IGA | 0.9110 |
502 | XX2 | 0.9110 |
503 | XQG | 0.9109 |
504 | BZ3 | 0.9109 |
505 | VNJ | 0.9109 |
506 | FDB | 0.9106 |
507 | B24 | 0.9106 |
508 | HSL | 0.9106 |
509 | 5MK | 0.9105 |
510 | BE7 | 0.9105 |
511 | H76 | 0.9102 |
512 | QSC | 0.9101 |
513 | ASO | 0.9100 |
514 | 53C | 0.9100 |
515 | JBE | 0.9097 |
516 | DMD | 0.9096 |
517 | ADK | 0.9095 |
518 | PCA | 0.9095 |
519 | DX4 | 0.9094 |
520 | DXX | 0.9094 |
521 | 278 | 0.9094 |
522 | CIZ | 0.9094 |
523 | HH8 | 0.9093 |
524 | 4XH | 0.9092 |
525 | 2PC | 0.9092 |
526 | F9Y | 0.9090 |
527 | ZZ3 | 0.9089 |
528 | 5VM | 0.9087 |
529 | TCZ | 0.9087 |
530 | 9TW | 0.9087 |
531 | MR1 | 0.9087 |
532 | SX1 | 0.9085 |
533 | DTU | 0.9084 |
534 | MZ0 | 0.9084 |
535 | CFP | 0.9082 |
536 | QSB | 0.9082 |
537 | R8A | 0.9081 |
538 | GLA | 0.9079 |
539 | GIV | 0.9078 |
540 | 9TZ | 0.9077 |
541 | URQ | 0.9077 |
542 | MMZ | 0.9076 |
543 | MLI | 0.9073 |
544 | PBC | 0.9072 |
545 | CHB | 0.9071 |
546 | L60 | 0.9070 |
547 | BTY | 0.9070 |
548 | KYD | 0.9070 |
549 | AZG | 0.9067 |
550 | CWS | 0.9067 |
551 | PZI | 0.9067 |
552 | 3AB | 0.9065 |
553 | B55 | 0.9065 |
554 | 1WD | 0.9064 |
555 | KJY | 0.9064 |
556 | BHO | 0.9064 |
557 | NPO | 0.9064 |
558 | 3MA | 0.9060 |
559 | GIF | 0.9059 |
560 | 8TX | 0.9057 |
561 | 5HN | 0.9055 |
562 | GIO | 0.9055 |
563 | FQI | 0.9054 |
564 | KUF | 0.9054 |
565 | URC | 0.9054 |
566 | 69O | 0.9053 |
567 | OVV | 0.9052 |
568 | 7VJ | 0.9052 |
569 | 36R | 0.9051 |
570 | MAN | 0.9051 |
571 | 0P6 | 0.9049 |
572 | C5J | 0.9048 |
573 | SMV | 0.9045 |
574 | NMJ | 0.9045 |
575 | ISE | 0.9044 |
576 | 3NT | 0.9043 |
577 | NVI | 0.9043 |
578 | HYN | 0.9043 |
579 | WCE | 0.9043 |
580 | NIZ | 0.9043 |
581 | LCN | 0.9042 |
582 | 5CL | 0.9039 |
583 | X6X | 0.9038 |
584 | CXF | 0.9035 |
585 | MLA | 0.9034 |
586 | 3OC | 0.9032 |
587 | 47J | 0.9031 |
588 | LRH | 0.9030 |
589 | 3SK | 0.9029 |
590 | 75K | 0.9027 |
591 | XIY | 0.9027 |
592 | PAB | 0.9025 |
593 | EQT | 0.9024 |
594 | ET2 | 0.9024 |
595 | CLW | 0.9023 |
596 | JBN | 0.9021 |
597 | 86J | 0.9021 |
598 | ASN | 0.9020 |
599 | 9TY | 0.9020 |
600 | ALL | 0.9020 |
601 | ASP | 0.9020 |
602 | KT7 | 0.9018 |
603 | IHB | 0.9017 |
604 | AC6 | 0.9017 |
605 | P72 | 0.9014 |
606 | 9MG | 0.9013 |
607 | 8WT | 0.9012 |
608 | JKE | 0.9009 |
609 | MNM | 0.9009 |
610 | TAR | 0.9009 |
611 | 7WV | 0.9008 |
612 | 1XN | 0.9007 |
613 | GXL | 0.9004 |
614 | M58 | 0.9004 |
615 | XIX | 0.9003 |
616 | RUU | 0.9003 |
617 | PBZ | 0.9002 |
618 | GAF | 0.9001 |
619 | 273 | 0.9001 |
620 | DAB | 0.9000 |
621 | B57 | 0.9000 |
622 | IPB | 0.8999 |
623 | DIE | 0.8999 |
624 | PXL | 0.8998 |
625 | 1Y6 | 0.8997 |
626 | 1P8 | 0.8996 |
627 | R1X | 0.8995 |
628 | QBK | 0.8995 |
629 | 6LW | 0.8995 |
630 | XBT | 0.8995 |
631 | K2T | 0.8994 |
632 | FBB | 0.8993 |
633 | QWN | 0.8991 |
634 | DMI | 0.8990 |
635 | DMJ | 0.8990 |
636 | ABA | 0.8990 |
637 | M1E | 0.8990 |
638 | TZC | 0.8989 |
639 | JAB | 0.8988 |
640 | HBD | 0.8988 |
641 | 9YL | 0.8988 |
642 | 8CM | 0.8986 |
643 | BVC | 0.8984 |
644 | V1L | 0.8982 |
645 | INS | 0.8982 |
646 | 1M2 | 0.8980 |
647 | HHA | 0.8980 |
648 | MRY | 0.8980 |
649 | LGC | 0.8980 |
650 | DHK | 0.8980 |
651 | 1GN | 0.8980 |
652 | ISZ | 0.8979 |
653 | VGD | 0.8978 |
654 | 4FA | 0.8978 |
655 | ES2 | 0.8977 |
656 | TFB | 0.8977 |
657 | HCS | 0.8976 |
658 | 5JL | 0.8975 |
659 | A7W | 0.8975 |
660 | BRT | 0.8974 |
661 | URP | 0.8974 |
662 | C21 | 0.8971 |
663 | HSM | 0.8971 |
664 | 0W8 | 0.8971 |
665 | 3BZ | 0.8970 |
666 | XAZ | 0.8970 |
667 | GOO | 0.8970 |
668 | FRU | 0.8970 |
669 | 2HQ | 0.8968 |
670 | 6F0 | 0.8968 |
671 | 8IG | 0.8967 |
672 | PAF | 0.8967 |
673 | P92 | 0.8965 |
674 | Z6J | 0.8965 |
675 | M2H | 0.8964 |
676 | CRN | 0.8964 |
677 | IP0 | 0.8960 |
678 | MBG | 0.8958 |
679 | 8WO | 0.8958 |
680 | IMR | 0.8955 |
681 | LER | 0.8953 |
682 | VNL | 0.8953 |
683 | GRE | 0.8952 |
684 | 4MA | 0.8951 |
685 | QXW | 0.8950 |
686 | MRW | 0.8947 |
687 | 2ZV | 0.8946 |
688 | YIO | 0.8946 |
689 | PA1 | 0.8946 |
690 | 5JQ | 0.8945 |
691 | MEW | 0.8945 |
692 | VOH | 0.8944 |
693 | PFB | 0.8943 |
694 | WOO | 0.8942 |
695 | 2LP | 0.8941 |
696 | Z82 | 0.8939 |
697 | PE0 | 0.8938 |
698 | R8V | 0.8937 |
699 | 6M1 | 0.8936 |
700 | PXM | 0.8934 |
701 | ZBT | 0.8934 |
702 | THR | 0.8933 |
703 | 42J | 0.8931 |
704 | F31 | 0.8931 |
705 | 4AX | 0.8930 |
706 | O7U | 0.8930 |
707 | 4JT | 0.8930 |
708 | BMA | 0.8925 |
709 | MAE | 0.8924 |
710 | 260 | 0.8922 |
711 | FOT | 0.8922 |
712 | ITN | 0.8922 |
713 | 4AA | 0.8920 |
714 | JBK | 0.8919 |
715 | KBG | 0.8918 |
716 | GXY | 0.8916 |
717 | 1P3 | 0.8916 |
718 | 3Z8 | 0.8913 |
719 | 32O | 0.8913 |
720 | 2BG | 0.8908 |
721 | E7Z | 0.8907 |
722 | IV2 | 0.8906 |
723 | XRG | 0.8905 |
724 | JZ4 | 0.8904 |
725 | FUB | 0.8901 |
726 | SEJ | 0.8899 |
727 | SWA | 0.8899 |
728 | ORO | 0.8898 |
729 | SS2 | 0.8897 |
730 | 7W1 | 0.8895 |
731 | UNC | 0.8895 |
732 | FDK | 0.8895 |
733 | AZ8 | 0.8893 |
734 | CFI | 0.8893 |
735 | BBF | 0.8891 |
736 | HVQ | 0.8891 |
737 | ALO | 0.8889 |
738 | SHG | 0.8889 |
739 | 7WG | 0.8889 |
740 | AEF | 0.8889 |
741 | 12Q | 0.8887 |
742 | BVG | 0.8887 |
743 | ORN | 0.8886 |
744 | Q24 | 0.8885 |
745 | UGC | 0.8880 |
746 | PEL | 0.8880 |
747 | BCF | 0.8880 |
748 | 6GU | 0.8880 |
749 | 174 | 0.8876 |
750 | DIN | 0.8875 |
751 | 5QX | 0.8873 |
752 | BNS | 0.8869 |
753 | 39A | 0.8865 |
754 | EV0 | 0.8864 |
755 | HFB | 0.8863 |
756 | 8ZE | 0.8863 |
757 | SJ5 | 0.8863 |
758 | SHA | 0.8862 |
759 | PZM | 0.8862 |
760 | AUD | 0.8862 |
761 | HIO | 0.8861 |
762 | LYL | 0.8860 |
763 | XUL | 0.8860 |
764 | MSN | 0.8860 |
765 | M5K | 0.8859 |
766 | FBM | 0.8858 |
767 | HUI | 0.8857 |
768 | DOR | 0.8856 |
769 | AQO | 0.8855 |
770 | HJP | 0.8854 |
771 | CEE | 0.8854 |
772 | MWP | 0.8853 |
773 | FLA | 0.8852 |
774 | YRL | 0.8850 |
775 | 826 | 0.8850 |
776 | 95Z | 0.8850 |
777 | IBF | 0.8846 |
778 | SKM | 0.8844 |
779 | GLU | 0.8842 |
780 | 4XV | 0.8838 |
781 | KPL | 0.8837 |
782 | 5RN | 0.8835 |
783 | GDE | 0.8835 |
784 | ICO | 0.8834 |
785 | SKA | 0.8833 |
786 | OXC | 0.8831 |
787 | M6N | 0.8830 |
788 | TTL | 0.8830 |
789 | HQT | 0.8829 |
790 | CGB | 0.8828 |
791 | 3SL | 0.8828 |
792 | DCY | 0.8822 |
793 | 0JD | 0.8822 |
794 | 40E | 0.8822 |
795 | P2D | 0.8821 |
796 | MO8 | 0.8821 |
797 | AFR | 0.8817 |
798 | BDP | 0.8816 |
799 | 4HC | 0.8811 |
800 | AJ2 | 0.8806 |
801 | C2U | 0.8806 |
802 | DYA | 0.8805 |
803 | J9W | 0.8805 |
804 | PKU | 0.8805 |
805 | HXX | 0.8805 |
806 | PRY | 0.8804 |
807 | 5WX | 0.8804 |
808 | BDF | 0.8804 |
809 | MET | 0.8803 |
810 | NVA | 0.8803 |
811 | IJZ | 0.8802 |
812 | NBE | 0.8800 |
813 | FH2 | 0.8800 |
814 | M1Q | 0.8799 |
815 | ZXD | 0.8797 |
816 | F3B | 0.8796 |
817 | D1X | 0.8796 |
818 | 32X | 0.8795 |
819 | SW7 | 0.8794 |
820 | 4Z4 | 0.8794 |
821 | HZP | 0.8793 |
822 | DPR | 0.8793 |
823 | PCI | 0.8790 |
824 | JZ7 | 0.8789 |
825 | DRL | 0.8787 |
826 | TPA | 0.8786 |
827 | OK7 | 0.8785 |
828 | G3E | 0.8785 |
829 | A65 | 0.8784 |
830 | CTL | 0.8783 |
831 | NDM | 0.8781 |
832 | AAE | 0.8780 |
833 | SRT | 0.8780 |
834 | KIB | 0.8779 |
835 | DHS | 0.8777 |
836 | HY1 | 0.8776 |
837 | MQN | 0.8776 |
838 | 4XS | 0.8774 |
839 | KJH | 0.8773 |
840 | FPK | 0.8771 |
841 | 2AL | 0.8771 |
842 | DQN | 0.8770 |
843 | MT0 | 0.8769 |
844 | 7MU | 0.8768 |
845 | 1U6 | 0.8768 |
846 | F9P | 0.8767 |
847 | 42C | 0.8766 |
848 | UEG | 0.8766 |
849 | 4SX | 0.8766 |
850 | 5QY | 0.8766 |
851 | M0W | 0.8765 |
852 | 3PF | 0.8765 |
853 | 34D | 0.8761 |
854 | Q6T | 0.8759 |
855 | 1LN | 0.8757 |
856 | KMT | 0.8756 |
857 | 4P5 | 0.8756 |
858 | ZWZ | 0.8755 |
859 | 3V4 | 0.8754 |
860 | EA1 | 0.8753 |
861 | TZE | 0.8753 |
862 | AW5 | 0.8752 |
863 | NXA | 0.8752 |
864 | H7Y | 0.8750 |
865 | 7NI | 0.8748 |
866 | DAS | 0.8747 |
867 | IPZ | 0.8747 |
868 | JBQ | 0.8747 |
869 | 7VS | 0.8746 |
870 | ODV | 0.8746 |
871 | 94B | 0.8745 |
872 | DIU | 0.8745 |
873 | 3IT | 0.8745 |
874 | X0V | 0.8743 |
875 | HZQ | 0.8742 |
876 | 4YO | 0.8742 |
877 | JA8 | 0.8742 |
878 | DHQ | 0.8741 |
879 | DBB | 0.8740 |
880 | A3B | 0.8740 |
881 | 7N0 | 0.8740 |
882 | SR1 | 0.8739 |
883 | TEO | 0.8738 |
884 | UY7 | 0.8738 |
885 | 4PW | 0.8738 |
886 | OXL | 0.8737 |
887 | 2RA | 0.8736 |
888 | SIN | 0.8736 |
889 | I1N | 0.8736 |
890 | GLF | 0.8735 |
891 | QSH | 0.8735 |
892 | 3WA | 0.8734 |
893 | RHU | 0.8734 |
894 | M1H | 0.8734 |
895 | M0Q | 0.8732 |
896 | 0HO | 0.8731 |
897 | ARW | 0.8731 |
898 | MRZ | 0.8727 |
899 | 3MT | 0.8725 |
900 | LT2 | 0.8724 |
901 | CN0 | 0.8722 |
902 | EKZ | 0.8721 |
903 | JZ5 | 0.8721 |
904 | OVM | 0.8720 |
905 | 4JQ | 0.8720 |
906 | DHR | 0.8719 |
907 | G5V | 0.8719 |
908 | 3MB | 0.8719 |
909 | 0TU | 0.8719 |
910 | RB5 | 0.8718 |
911 | KDV | 0.8716 |
912 | 948 | 0.8715 |
913 | FGZ | 0.8713 |
914 | N2I | 0.8713 |
915 | OXM | 0.8712 |
916 | 5RO | 0.8711 |
917 | KJU | 0.8711 |
918 | TLA | 0.8709 |
919 | BAE | 0.8709 |
920 | TFU | 0.8709 |
921 | 192 | 0.8708 |
922 | AKH | 0.8706 |
923 | EOL | 0.8706 |
924 | 51F | 0.8705 |
925 | PEP | 0.8703 |
926 | 0HN | 0.8701 |
927 | PHU | 0.8701 |
928 | 1F1 | 0.8700 |
929 | 495 | 0.8698 |
930 | 1AC | 0.8697 |
931 | GCB | 0.8695 |
932 | LNR | 0.8693 |
933 | AEH | 0.8692 |
934 | HLZ | 0.8689 |
935 | 6RQ | 0.8688 |
936 | ILE | 0.8687 |
937 | 173 | 0.8686 |
938 | PBE | 0.8685 |
939 | 1DV | 0.8684 |
940 | SE2 | 0.8683 |
941 | MUA | 0.8680 |
942 | B62 | 0.8680 |
943 | PYR | 0.8680 |
944 | HYP | 0.8677 |
945 | IFP | 0.8676 |
946 | FA1 | 0.8676 |
947 | J5I | 0.8673 |
948 | OXD | 0.8673 |
949 | JND | 0.8672 |
950 | XYL | 0.8670 |
951 | XHP | 0.8669 |
952 | AMT | 0.8669 |
953 | D48 | 0.8668 |
954 | DIG | 0.8667 |
955 | OTW | 0.8665 |
956 | HDA | 0.8664 |
957 | EYK | 0.8661 |
958 | FBV | 0.8659 |
959 | 3NY | 0.8658 |
960 | 3R6 | 0.8652 |
961 | GLT | 0.8650 |
962 | DBX | 0.8649 |
963 | 0FO | 0.8648 |
964 | TIU | 0.8647 |
965 | DBJ | 0.8644 |
966 | 6NT | 0.8642 |
967 | B60 | 0.8640 |
968 | 1DQ | 0.8639 |
969 | N8Y | 0.8636 |
970 | PQ0 | 0.8636 |
971 | ABI | 0.8634 |
972 | MFU | 0.8631 |
973 | ATQ | 0.8630 |
974 | 44W | 0.8629 |
975 | 3A9 | 0.8628 |
976 | BAQ | 0.8628 |
977 | LFR | 0.8625 |
978 | QWW | 0.8623 |
979 | SF9 | 0.8623 |
980 | ASC | 0.8622 |
981 | AKB | 0.8621 |
982 | PRF | 0.8621 |
983 | TSS | 0.8620 |
984 | 4WL | 0.8620 |
985 | UAN | 0.8617 |
986 | PYM | 0.8615 |
987 | PAC | 0.8612 |
988 | 4ZA | 0.8609 |
989 | B20 | 0.8609 |
990 | DQU | 0.8608 |
991 | 3FH | 0.8606 |
992 | 5GU | 0.8605 |
993 | 2ZM | 0.8602 |
994 | AZ9 | 0.8601 |
995 | 680 | 0.8601 |
996 | 4MZ | 0.8598 |
997 | OW4 | 0.8593 |
998 | QX2 | 0.8590 |
999 | QY9 | 0.8590 |
1000 | 1MZ | 0.8588 |
1001 | TEP | 0.8584 |
1002 | HQD | 0.8583 |
1003 | XCZ | 0.8582 |
1004 | 6KX | 0.8582 |
1005 | MVN | 0.8581 |
1006 | QX4 | 0.8581 |
1007 | ADA | 0.8578 |
1008 | PYQ | 0.8576 |
1009 | 2HU | 0.8574 |
1010 | 5MP | 0.8571 |
1011 | BYZ | 0.8567 |
1012 | ANN | 0.8565 |
1013 | PBR | 0.8559 |
1014 | 44V | 0.8556 |
1015 | 5KX | 0.8554 |
1016 | 51R | 0.8554 |
1017 | JAW | 0.8552 |
1018 | 7WR | 0.8552 |
1019 | SFU | 0.8550 |
1020 | XLS | 0.8546 |
1021 | PAV | 0.8541 |
1022 | APZ | 0.8540 |
1023 | YSO | 0.8530 |
1024 | MR3 | 0.8528 |
1025 | JZ6 | 0.8524 |
1026 | GBL | 0.8520 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3i51.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3i51.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3i51.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3i51.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |