Receptor
PDB id Resolution Class Description Source Keywords
1Q8Y 2.05 Å EC: 2.7.1.- THE STRUCTURE OF THE YEAST SR PROTEIN KINASE, SKY1P, WITH BO SACCHAROMYCES CEREVISIAE PROTEIN KINASE TRANSFERASE
Ref.: NUCLEOTIDE-INDUCED CONFORMATIONAL CHANGES IN THE SACCHAROMYCES CEREVISIAE SR PROTEIN KINASE, SKY1P, BY X-RAY CRYSTALLOGRAPHY BIOCHEMISTRY V. 42 9575 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE B:900;
 Valid;
 none;
 submit data
135.127 C5 H5 N5 c1[nH...
ADP A:810;
 Valid;
 none;
 submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:809;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
SO4 A:801;
A:805;
A:806;
B:802;
B:803;
B:804;
B:807;
B:808;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q8Y 2.05 Å EC: 2.7.1.- THE STRUCTURE OF THE YEAST SR PROTEIN KINASE, SKY1P, WITH BO SACCHAROMYCES CEREVISIAE PROTEIN KINASE TRANSFERASE
Ref.: NUCLEOTIDE-INDUCED CONFORMATIONAL CHANGES IN THE SACCHAROMYCES CEREVISIAE SR PROTEIN KINASE, SKY1P, BY X-RAY CRYSTALLOGRAPHY BIOCHEMISTRY V. 42 9575 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1Q99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 2JD5 - ARG GLU ARG SER PRO THR ARG n/a n/a
3 1Q8Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1Q97 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1Q99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 2JD5 - ARG GLU ARG SER PRO THR ARG n/a n/a
3 1Q8Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1Q97 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 5MXX ic50 = 31 nM W4A C18 H20 F3 N3 O2 Cc1ccc(o1)....
2 1WBP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 5XV7 ic50 = 11 nM EMH C30 H34 N4 O2 CCc1cc2c(c....
4 5MY8 Kd = 72 nM RXZ C27 H24 F3 N5 O2 c1ccnc(c1)....
5 4WUA - 3UL C18 H18 F3 N3 O c1cc(c(cc1....
6 1Q99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 2JD5 - ARG GLU ARG SER PRO THR ARG n/a n/a
8 1Q8Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1Q97 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Ligand no: 2; Ligand: ADP; Similar ligands found: 520
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 HEJ 0.9 1
4 A2D 0.895522 0.971831
5 AQP 0.887324 1
6 5FA 0.887324 1
7 B4P 0.884058 0.971831
8 AP5 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 AD9 0.8 0.972222
22 AGS 0.8 0.945946
23 AMP MG 0.785714 0.929577
24 CA0 0.783784 0.945205
25 ADX 0.783784 0.873418
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 KG4 0.773333 0.945205
30 45A 0.763889 0.917808
31 ABM 0.763889 0.917808
32 APC 0.763158 0.958904
33 PRX 0.763158 0.893333
34 HQG 0.7625 0.985915
35 ATF 0.759494 0.958904
36 A22 0.753086 0.985915
37 ADP BEF 0.746667 0.943662
38 ADP MG 0.746667 0.943662
39 A12 0.743243 0.958904
40 AP2 0.743243 0.958904
41 SRA 0.736111 0.918919
42 ADQ 0.73494 0.945205
43 25L 0.732558 0.985915
44 5AL 0.725 0.931507
45 8LE 0.725 0.894737
46 2A5 0.717949 0.918919
47 A1R 0.714286 0.907895
48 AU1 0.714286 0.972222
49 A3R 0.714286 0.907895
50 APC MG 0.708861 0.917808
51 ATR 0.708861 0.971429
52 PAP 0.708861 0.985714
53 ATP MG 0.708861 0.943662
54 ADP PO3 0.708861 0.943662
55 8LH 0.707317 0.906667
56 SRP 0.707317 0.906667
57 7D3 0.706667 0.905405
58 JNT 0.705882 0.945205
59 OZV 0.702381 0.971831
60 25A 0.702381 0.971831
61 BEF ADP 0.7 0.917808
62 OAD 0.697674 0.945205
63 9X8 0.697674 0.92
64 8LQ 0.690476 0.906667
65 QA7 0.690476 0.894737
66 RBY 0.6875 0.932432
67 ADV 0.6875 0.932432
68 00A 0.686047 0.883117
69 5SV 0.682353 0.848101
70 OOB 0.682353 0.931507
71 8QN 0.682353 0.931507
72 3OD 0.681818 0.945205
73 BIS 0.681818 0.933333
74 ANP MG 0.674699 0.931507
75 VO4 ADP 0.674699 0.945205
76 ALF ADP 0.674699 0.87013
77 AMO 0.674419 0.932432
78 4AD 0.674419 0.92
79 PAJ 0.674419 0.884615
80 GAP 0.670732 0.893333
81 MAP 0.670588 0.945946
82 DLL 0.666667 0.931507
83 AHX 0.666667 0.896104
84 PTJ 0.662921 0.896104
85 V2G 0.662651 0.896104
86 KMQ 0.659341 0.932432
87 3UK 0.659091 0.918919
88 SON 0.658228 0.932432
89 LMS 0.653333 0.82716
90 B5V 0.651685 0.906667
91 WAQ 0.651685 0.883117
92 LAD 0.651685 0.860759
93 PR8 0.651685 0.85
94 7D4 0.65 0.905405
95 ITT 0.65 0.943662
96 G5P 0.648936 0.921053
97 RAB 0.647059 0.84507
98 XYA 0.647059 0.84507
99 ADN 0.647059 0.84507
100 ME8 0.644444 0.839506
101 TXA 0.644444 0.932432
102 NB8 0.644444 0.896104
103 FYA 0.644444 0.905405
104 1ZZ 0.644444 0.839506
105 6AD 0.642857 0.909091
106 ADP BMA 0.640449 0.918919
107 G3A 0.638298 0.921053
108 DAL AMP 0.632184 0.905405
109 AFH 0.631579 0.884615
110 9SN 0.630435 0.871795
111 9ZA 0.625 0.907895
112 DQV 0.625 0.958333
113 GTA 0.625 0.886076
114 9ZD 0.625 0.907895
115 FA5 0.623656 0.906667
116 B5M 0.623656 0.894737
117 B5Y 0.623656 0.894737
118 UP5 0.622449 0.92
119 CUU 0.621951 0.971831
120 NO7 0.62069 0.932432
121 JSQ 0.619048 0.945946
122 HFD 0.619048 0.945946
123 XAH 0.617021 0.839506
124 AV2 0.616279 0.917808
125 AOC 0.615385 0.821918
126 48N 0.612245 0.896104
127 4UV 0.610526 0.894737
128 NAX 0.606061 0.873418
129 DND 0.606061 0.932432
130 TXD 0.606061 0.907895
131 NAI 0.606061 0.907895
132 6V0 0.606061 0.896104
133 5N5 0.605634 0.819444
134 5AS 0.604938 0.77907
135 A4P 0.60396 0.843373
136 DAT 0.60241 0.905405
137 A2R 0.602273 0.985915
138 OMR 0.6 0.851852
139 TXE 0.6 0.907895
140 GA7 0.597938 0.906667
141 4UU 0.597938 0.894737
142 5CD 0.597222 0.805556
143 A4D 0.597222 0.819444
144 L3W 0.594059 0.932432
145 AP0 0.594059 0.896104
146 4TC 0.594059 0.896104
147 A3P 0.592593 0.971429
148 T5A 0.592233 0.841463
149 139 0.592233 0.873418
150 7D5 0.592105 0.878378
151 ATP A A A 0.589474 0.930556
152 ATP A 0.589474 0.930556
153 LAQ 0.585859 0.839506
154 MYR AMP 0.585106 0.817073
155 H1Q 0.583333 0.90411
156 F2R 0.580952 0.864198
157 YLP 0.58 0.819277
158 UPA 0.578431 0.907895
159 7DD 0.578313 0.985714
160 3AM 0.576923 0.929577
161 ADJ 0.576923 0.851852
162 NAD 0.575472 0.931507
163 COD 0.575472 0.811765
164 3AT 0.574713 0.971831
165 JB6 0.574468 0.883117
166 4UW 0.574257 0.860759
167 EP4 0.573333 0.753247
168 A2P 0.573171 0.957143
169 CNA 0.571429 0.932432
170 TYM 0.568627 0.906667
171 PPS 0.568182 0.873418
172 DTA 0.565789 0.786667
173 M2T 0.565789 0.734177
174 AR6 AR6 0.565657 0.917808
175 80F 0.564815 0.841463
176 A3D 0.564815 0.918919
177 3DH 0.564103 0.773333
178 G5A 0.563218 0.77907
179 YLB 0.563107 0.819277
180 YLC 0.563107 0.839506
181 AMP DBH 0.561224 0.893333
182 MTA 0.558442 0.773333
183 DTP 0.556818 0.905405
184 AHZ 0.554455 0.817073
185 NA7 0.553191 0.958904
186 IOT 0.552381 0.831325
187 ARG AMP 0.55 0.829268
188 ZAS 0.55 0.766234
189 7MD 0.55 0.8625
190 IMO 0.548781 0.929577
191 YLA 0.54717 0.819277
192 NAE 0.544643 0.894737
193 TAD 0.544554 0.884615
194 A5A 0.544444 0.807229
195 2AM 0.544304 0.943662
196 TSB 0.543478 0.819277
197 6RE 0.54321 0.759494
198 6MZ 0.542169 0.930556
199 AYB 0.542056 0.809524
200 NAQ 0.539823 0.871795
201 V3L 0.539326 0.971831
202 AF3 ADP 3PG 0.538462 0.8375
203 ALF ADP 3PG 0.538462 0.8375
204 SSA 0.538462 0.8
205 ZID 0.535088 0.918919
206 LPA AMP 0.533981 0.817073
207 NAD IBO 0.533333 0.917808
208 NAD TDB 0.533333 0.917808
209 VMS 0.532609 0.788235
210 54H 0.532609 0.788235
211 52H 0.532609 0.77907
212 BTX 0.53211 0.841463
213 A3N 0.53012 0.786667
214 J7C 0.53012 0.769231
215 5X8 0.528736 0.763158
216 BT5 0.527273 0.831325
217 53H 0.526882 0.77907
218 8X1 0.526882 0.752809
219 5CA 0.526882 0.8
220 ARU 0.526316 0.860759
221 EAD 0.525862 0.873418
222 RGT 0.525253 0.958904
223 OVE 0.52439 0.905405
224 S4M 0.52381 0.666667
225 7DT 0.522727 0.985714
226 DDS 0.522222 0.878378
227 GDP 0.522222 0.92
228 38V 0.521739 0.886076
229 AVV 0.521277 0.896104
230 NDE 0.521008 0.932432
231 LEU LMS 0.520833 0.730337
232 7MC 0.518868 0.841463
233 DSH 0.518072 0.725
234 MAO 0.517647 0.759036
235 LSS 0.515789 0.761364
236 DSZ 0.515789 0.8
237 NSS 0.515789 0.8
238 P5A 0.515464 0.744444
239 DZD 0.513514 0.884615
240 NWW 0.513158 0.760563
241 O02 0.511111 0.921053
242 NVA LMS 0.510417 0.752809
243 9K8 0.510204 0.714286
244 12D 0.509615 0.785714
245 YLY 0.508772 0.809524
246 M24 0.508772 0.85
247 P1H 0.508333 0.851852
248 5AD 0.506849 0.746479
249 GJV 0.505882 0.75
250 AMP NAD 0.504505 0.905405
251 4TA 0.504505 0.807229
252 NAJ PZO 0.504425 0.848101
253 D4F 0.504348 0.839506
254 KAA 0.5 0.752809
255 GSU 0.5 0.77907
256 71V 0.5 0.907895
257 7D7 0.5 0.743243
258 A3G 0.5 0.8
259 128 0.5 0.776471
260 NDC 0.5 0.871795
261 N0B 0.495726 0.819277
262 NJP 0.495495 0.945946
263 ODP 0.495495 0.909091
264 K3K 0.49505 0.802632
265 2SA 0.494624 0.932432
266 6C6 0.494505 0.881579
267 SFG 0.494382 0.75
268 0WD 0.491071 0.921053
269 LQJ 0.490196 0.917808
270 B1U 0.490196 0.736264
271 YSA 0.490196 0.77907
272 PO4 PO4 A A A A PO4 0.489796 0.902778
273 SAM 0.48913 0.690476
274 6IA 0.48913 0.8375
275 A7D 0.488636 0.776316
276 6FA 0.488 0.841463
277 FB0 0.487805 0.804598
278 NAJ PYZ 0.487179 0.807229
279 J4G 0.484848 0.92
280 A5D 0.483516 0.786667
281 IDP 0.483516 0.918919
282 SA8 0.483516 0.707317
283 PGS 0.483146 0.883117
284 MHZ 0.483146 0.697674
285 DA 0.482353 0.878378
286 NEC 0.482353 0.746667
287 D5M 0.482353 0.878378
288 NIA 0.481928 0.822785
289 Y3J 0.480519 0.726027
290 8PZ 0.480392 0.8
291 FAD 0.480315 0.851852
292 FAS 0.480315 0.851852
293 FDA 0.48 0.833333
294 N6P 0.479592 0.915493
295 GGZ 0.479167 0.825
296 SAI 0.478261 0.734177
297 SAH 0.478261 0.74359
298 NPW 0.477477 0.886076
299 NDP 0.477477 0.921053
300 AAM 0.476744 0.971429
301 AMZ 0.47561 0.916667
302 C2R 0.47561 0.90411
303 SMM 0.473684 0.686047
304 GTP 0.473684 0.92
305 NZQ 0.473214 0.909091
306 TXP 0.473214 0.921053
307 A3S 0.47191 0.810811
308 K3E 0.471154 0.792208
309 NWQ 0.46988 0.739726
310 SFD 0.46875 0.734043
311 AIR 0.468354 0.901408
312 AAT 0.468085 0.707317
313 EEM 0.468085 0.690476
314 7C5 0.466667 0.818182
315 Z5A 0.466667 0.77907
316 J7V 0.466667 0.833333
317 62F 0.465649 0.8625
318 N5O 0.465116 0.763158
319 HDV 0.463158 0.893333
320 KOY 0.462963 0.802632
321 FAY 0.462121 0.8625
322 DCA 0.461538 0.823529
323 A3T 0.461538 0.821918
324 ETB 0.461538 0.833333
325 A6D 0.46 0.722892
326 6K6 0.459184 0.930556
327 QXP 0.459184 0.785714
328 GEK 0.459184 0.7375
329 RFL 0.458647 0.821429
330 S7M 0.458333 0.690476
331 V47 0.458333 0.783784
332 NAP 0.458333 0.945205
333 4YB 0.457944 0.761364
334 CZF 0.457447 0.931507
335 TAP 0.454545 0.907895
336 N5A 0.454545 0.736842
337 FNK 0.454545 0.804598
338 WSA 0.454545 0.788235
339 COA 0.453782 0.823529
340 0T1 0.453782 0.823529
341 101 0.453488 0.878378
342 QBQ 0.452632 0.906667
343 DZ4 0.452632 0.881579
344 XNP 0.452174 0.873418
345 K2R 0.45098 0.88
346 NA0 0.45082 0.932432
347 7RP 0.448276 0.928571
348 K2W 0.447619 0.740741
349 GP3 0.446809 0.921053
350 TM1 0.446602 0.77381
351 APU 0.446429 0.894737
352 KL2 0.445783 0.837838
353 QXG 0.445545 0.776471
354 PUA 0.445378 0.884615
355 V1N 0.443396 0.917808
356 7RA 0.443182 0.957747
357 CAO 0.442623 0.795455
358 30N 0.442623 0.752688
359 COS 0.442623 0.804598
360 AMX 0.442623 0.833333
361 K38 0.442308 0.779221
362 QQY 0.44186 0.815789
363 ACK 0.44186 0.861111
364 649 0.441441 0.744444
365 R2V 0.441176 0.785714
366 0UM 0.44 0.698795
367 NHD 0.439655 0.905405
368 SCO 0.439024 0.823529
369 CMX 0.439024 0.823529
370 GCP 0.438776 0.896104
371 8BR 0.438202 0.906667
372 GNH 0.4375 0.907895
373 3AD 0.4375 0.805556
374 8Q2 0.4375 0.772727
375 O05 0.436893 0.843373
376 NVA 2AD 0.43617 0.759494
377 62X 0.435644 0.666667
378 K2H 0.435644 0.75641
379 ACO 0.435484 0.795455
380 FAM 0.435484 0.804598
381 FCX 0.435484 0.795455
382 9JJ 0.434783 0.8625
383 KY2 0.434343 0.731707
384 9GM 0.434343 0.896104
385 GNP 0.434343 0.896104
386 K3H 0.433962 0.75
387 NMX 0.433071 0.76087
388 MGP 0.43299 0.884615
389 26A 0.432099 0.763158
390 HAX 0.432 0.804598
391 K15 0.431373 0.682353
392 9BG 0.431034 0.896104
393 DG1 0.430894 0.921053
394 1DG 0.430894 0.921053
395 QQX 0.430233 0.805195
396 2VA 0.430108 0.8
397 S8M 0.43 0.759494
398 2MC 0.429688 0.769231
399 PLP AAD 0.428571 0.733333
400 6G0 0.428571 0.884615
401 3KK 0.428571 0.804598
402 P5F 0.428571 0.823529
403 NAD BBN 0.428571 0.841463
404 FYN 0.428571 0.823529
405 KGA 0.427481 0.744681
406 7L1 0.427419 0.795455
407 K2K 0.427184 0.7375
408 NX8 0.427083 0.716049
409 RMB 0.426966 0.873239
410 AS 0.426966 0.833333
411 FAI 0.426966 0.916667
412 KGJ 0.426357 0.752688
413 KYB 0.425743 0.731707
414 1RB 0.425287 0.885714
415 KGP 0.425197 0.729167
416 OXK 0.425197 0.804598
417 COK 0.425197 0.804598
418 SOP 0.425197 0.804598
419 MCD 0.425197 0.804598
420 CA6 0.425197 0.729167
421 YZS 0.425197 0.729167
422 G1R 0.424242 0.907895
423 CC5 0.423077 0.816901
424 SXZ 0.423077 0.710843
425 F2N 0.422535 0.813953
426 NAD CJ3 0.422222 0.811765
427 EO7 0.422222 0.788235
428 ANZ 0.422018 0.8
429 CMC 0.421875 0.804598
430 CO6 0.421875 0.804598
431 1VU 0.421875 0.795455
432 ZDA 0.421053 0.864865
433 GKE 0.420561 0.884615
434 GDC 0.420561 0.884615
435 GDD 0.420561 0.884615
436 NFD 0.420168 0.883117
437 GSP 0.42 0.873418
438 D3Y 0.42 0.789474
439 MC4 0.419847 0.76087
440 3D1 0.419753 0.773333
441 3L1 0.419753 0.773333
442 FA9 0.41958 0.864198
443 G 0.419355 0.906667
444 5GP 0.419355 0.906667
445 KB1 0.419048 0.698795
446 KY5 0.419048 0.725
447 SCD 0.418605 0.823529
448 CAJ 0.418605 0.804598
449 2BA 0.417582 0.915493
450 CMP 0.417582 0.901408
451 SO8 0.416667 0.789474
452 VRT 0.416667 0.769231
453 KFV 0.416667 0.736842
454 N01 0.416667 0.905405
455 1HE 0.415385 0.786517
456 3HC 0.415385 0.813953
457 BCO 0.415385 0.804598
458 MLC 0.415385 0.804598
459 IVC 0.415385 0.813953
460 A1S 0.415385 0.804598
461 NMN AMP PO4 0.415254 0.87013
462 2FA 0.414634 0.813333
463 MGO 0.414141 0.860759
464 FAJ 0.413793 0.831325
465 3NZ 0.413462 0.782051
466 KY8 0.413462 0.728395
467 Q34 0.412281 0.674419
468 LCV 0.412214 0.721649
469 COO 0.412214 0.804598
470 MCA 0.412214 0.795455
471 CAA 0.412214 0.813953
472 SO5 0.412214 0.721649
473 YE1 0.412214 0.813953
474 GAV 0.411765 0.884615
475 PRT 0.411215 0.931507
476 JLN 0.411111 0.890411
477 P2P 0.411111 0.902778
478 OZP 0.410714 0.728395
479 NWZ 0.410526 0.703704
480 ZZB 0.410256 0.77381
481 CNV FAD 0.410072 0.793103
482 YXR 0.409091 0.729167
483 2CP 0.409091 0.795455
484 YXS 0.409091 0.729167
485 SCA 0.409091 0.804598
486 SP1 0.409091 0.842105
487 RP1 0.409091 0.842105
488 103 0.409091 0.837838
489 PAX 0.408 0.829268
490 KYE 0.407407 0.714286
491 FAD NBT 0.407143 0.75
492 BYC 0.406015 0.804598
493 1GZ 0.406015 0.795455
494 IRC 0.406015 0.813953
495 CA8 0.406015 0.729167
496 3CP 0.406015 0.804598
497 COW 0.406015 0.795455
498 HGG 0.406015 0.804598
499 COF 0.406015 0.786517
500 2KQ 0.406015 0.786517
501 G2P 0.405941 0.884615
502 KXW 0.405405 0.707317
503 SLU 0.404959 0.770115
504 RBZ 0.404494 0.849315
505 1CZ 0.404412 0.795455
506 Q2P 0.403361 0.674419
507 COA FLC 0.403226 0.790698
508 FAQ 0.402985 0.804598
509 BCA 0.402985 0.795455
510 4CA 0.402985 0.795455
511 MTP 0.402439 0.730769
512 8OD 0.402062 0.945205
513 HZ2 0.401786 0.731707
514 CO7 0.401515 0.804598
515 ENQ 0.4 0.916667
516 GMV 0.4 0.896104
517 HXC 0.4 0.786517
518 G2R 0.4 0.884615
519 GRA 0.4 0.804598
520 HF7 0.4 0.893333
Similar Ligands (3D)
Ligand no: 1; Ligand: ADE; Similar ligands found: 1169
No: Ligand Similarity coefficient
1 BP1 1.0000
2 7WA 1.0000
3 HPA 1.0000
4 9DA 1.0000
5 6MP 1.0000
6 7HP 1.0000
7 9HX 1.0000
8 10L 1.0000
9 GAL 1.0000
10 BTE 0.9979
11 SWD 0.9969
12 XYP 0.9901
13 LXC 0.9869
14 SVN 0.9860
15 9EW 0.9846
16 O72 0.9835
17 5Q0 0.9831
18 N5J 0.9830
19 1LQ 0.9823
20 RSF 0.9823
21 24W 0.9822
22 5IQ 0.9821
23 HQY 0.9818
24 4YS 0.9817
25 5SG 0.9816
26 1LM 0.9814
27 HLR 0.9812
28 1NP 0.9811
29 ES1 0.9810
30 1SQ 0.9808
31 JPZ 0.9807
32 L3Q 0.9805
33 JBH 0.9803
34 XAN 0.9799
35 GUN 0.9797
36 F05 0.9793
37 M1A 0.9790
38 BZF 0.9788
39 Q88 0.9786
40 AZA 0.9783
41 GVH 0.9780
42 0R1 0.9778
43 BZI 0.9776
44 9DG 0.9775
45 HH8 0.9774
46 4JP 0.9770
47 JZ9 0.9768
48 IND 0.9766
49 ADK 0.9766
50 LZ1 0.9764
51 MPI 0.9762
52 0CT 0.9761
53 25W 0.9760
54 4XH 0.9758
55 ADZ 0.9758
56 GIO 0.9748
57 EQT 0.9743
58 ES0 0.9741
59 G6D 0.9739
60 A2F 0.9736
61 SAL 0.9736
62 1XN 0.9735
63 IGA 0.9734
64 MBD 0.9733
65 DEN 0.9723
66 6M4 0.9723
67 IDM 0.9719
68 0RW 0.9716
69 67N 0.9713
70 JBE 0.9711
71 7B4 0.9710
72 CWM 0.9704
73 CFP 0.9703
74 OXQ 0.9697
75 141 0.9691
76 AHR 0.9686
77 290 0.9681
78 URF 0.9681
79 23A 0.9680
80 6GU 0.9679
81 DX4 0.9679
82 AZG 0.9678
83 XYS 0.9677
84 GBD 0.9669
85 3U4 0.9667
86 3MC 0.9662
87 1XM 0.9658
88 7HQ 0.9656
89 4SV 0.9655
90 XXR 0.9652
91 PYG 0.9649
92 JIF 0.9649
93 3MA 0.9640
94 3FA 0.9640
95 MCT 0.9639
96 BE2 0.9635
97 QUZ 0.9630
98 WBU 0.9629
99 FLM 0.9627
100 5WX 0.9624
101 6M9 0.9624
102 I3A 0.9623
103 BOA 0.9622
104 YH7 0.9622
105 KYD 0.9620
106 FFP 0.9616
107 GAG 0.9615
108 KKN 0.9615
109 NPY 0.9608
110 HH5 0.9603
111 1PT 0.9603
112 F5B 0.9601
113 DBJ 0.9601
114 ARB 0.9599
115 TDR 0.9598
116 5AC 0.9597
117 BCP 0.9594
118 A1U 0.9591
119 4ZE 0.9589
120 QOS 0.9588
121 BEN 0.9587
122 3ZQ 0.9587
123 IFM 0.9585
124 MWM 0.9585
125 ES6 0.9582
126 G3F 0.9582
127 ISN 0.9582
128 0TR 0.9578
129 1WD 0.9578
130 GLC 0.9578
131 M1E 0.9577
132 DUB 0.9576
133 0CU 0.9575
134 2C9 0.9573
135 BAM 0.9573
136 HY3 0.9572
137 1MC 0.9569
138 7VS 0.9566
139 NMJ 0.9566
140 GMN 0.9564
141 7W4 0.9563
142 8GC 0.9563
143 JKE 0.9561
144 ES7 0.9560
145 4HO 0.9559
146 2CM 0.9556
147 TM7 0.9554
148 275 0.9554
149 XBZ 0.9551
150 ICP 0.9550
151 PYD 0.9550
152 2MY 0.9550
153 FUL 0.9549
154 270 0.9548
155 BR8 0.9548
156 FPY 0.9547
157 2MP 0.9546
158 HLZ 0.9546
159 2AC 0.9543
160 BGC 0.9541
161 39A 0.9538
162 5WV 0.9538
163 R8V 0.9536
164 34A 0.9531
165 M0Q 0.9531
166 URA 0.9531
167 HZQ 0.9525
168 NCA 0.9524
169 3DO 0.9522
170 MT0 0.9522
171 5UC 0.9521
172 XYD 0.9518
173 2YU 0.9518
174 6MH 0.9516
175 60P 0.9503
176 5HN 0.9503
177 6UA 0.9503
178 JZ3 0.9501
179 3CE 0.9500
180 2D0 0.9498
181 3WA 0.9497
182 3NT 0.9497
183 495 0.9496
184 AX7 0.9494
185 HT4 0.9493
186 YSO 0.9492
187 GRE 0.9488
188 PZA 0.9488
189 5AN 0.9488
190 2ZV 0.9486
191 4CS 0.9486
192 BZX 0.9485
193 LG3 0.9484
194 5M0 0.9483
195 43M 0.9483
196 AX2 0.9481
197 TM4 0.9480
198 13X 0.9478
199 284 0.9478
200 CYT 0.9477
201 0MK 0.9477
202 VGL 0.9476
203 GAB 0.9476
204 6AI 0.9475
205 7MH 0.9475
206 5RG 0.9475
207 RCO 0.9473
208 7WV 0.9472
209 6PC 0.9471
210 YCP 0.9471
211 WDL 0.9470
212 NBZ 0.9470
213 6F0 0.9469
214 26D 0.9468
215 KJH 0.9467
216 RAM 0.9467
217 JBK 0.9466
218 6CS 0.9465
219 9MG 0.9464
220 DBH 0.9461
221 2CK 0.9460
222 EXO 0.9460
223 MZG 0.9460
224 ISE 0.9459
225 3AY 0.9458
226 TH0 0.9457
227 4CL 0.9456
228 FCA 0.9456
229 RP7 0.9454
230 DFB 0.9453
231 BEZ 0.9452
232 12Q 0.9451
233 FUC 0.9451
234 40O 0.9451
235 RIP 0.9450
236 PE0 0.9447
237 3ID 0.9447
238 4XR 0.9447
239 5MB 0.9446
240 5H1 0.9446
241 IDH 0.9446
242 1WG 0.9445
243 2K4 0.9445
244 3AB 0.9445
245 TTL 0.9445
246 M1H 0.9442
247 R8A 0.9441
248 3M0 0.9440
249 FE DB1 0.9440
250 3HA 0.9440
251 ARA 0.9439
252 3MH 0.9438
253 NK 0.9437
254 F60 0.9437
255 OVV 0.9437
256 3F0 0.9436
257 OXZ 0.9436
258 M0W 0.9435
259 DUC 0.9435
260 RM1 0.9435
261 64K 0.9432
262 3HB 0.9431
263 CAQ 0.9431
264 2MI 0.9430
265 3SK 0.9430
266 LCN 0.9430
267 JBQ 0.9429
268 GTQ 0.9429
269 4JJ 0.9428
270 S76 0.9428
271 14O 0.9427
272 URC 0.9427
273 54G 0.9426
274 FDB 0.9424
275 5MH 0.9422
276 5MI 0.9422
277 FCB 0.9421
278 NTN 0.9421
279 NIO 0.9420
280 JFD 0.9419
281 J1Z 0.9419
282 CRS 0.9419
283 5ZE 0.9417
284 8GF 0.9416
285 4JO 0.9416
286 ES9 0.9415
287 2A7 0.9414
288 7W1 0.9414
289 UNU 0.9414
290 BE7 0.9412
291 7NI 0.9412
292 OXE 0.9412
293 3Z7 0.9411
294 27Y 0.9411
295 MFB 0.9411
296 53C 0.9410
297 286 0.9409
298 VNJ 0.9409
299 L89 0.9406
300 A7W 0.9406
301 1P7 0.9405
302 JZ2 0.9404
303 P92 0.9404
304 SWA 0.9403
305 B55 0.9403
306 5JC 0.9402
307 5QX 0.9402
308 5B1 0.9402
309 LG5 0.9402
310 GCS 0.9402
311 0P6 0.9401
312 42A 0.9401
313 Q24 0.9401
314 HQT 0.9400
315 UNC 0.9399
316 3BZ 0.9399
317 HPY 0.9399
318 OXC 0.9398
319 M6N 0.9397
320 LGC 0.9396
321 7CZ 0.9396
322 BVF 0.9395
323 AZ8 0.9394
324 150 0.9393
325 RM4 0.9393
326 AZF 0.9393
327 92Z 0.9391
328 2ZX 0.9391
329 FYU 0.9391
330 3CH 0.9390
331 FPK 0.9386
332 CWS 0.9386
333 5MK 0.9385
334 8S0 0.9385
335 8IG 0.9384
336 BTY 0.9384
337 HJP 0.9384
338 BR9 0.9383
339 8LG 0.9382
340 FUF 0.9382
341 LZM 0.9382
342 FOT 0.9381
343 H4N 0.9379
344 B53 0.9379
345 RNS 0.9378
346 76X 0.9378
347 12M 0.9377
348 0W8 0.9375
349 DMD 0.9374
350 XM0 0.9373
351 T6C 0.9373
352 282 0.9373
353 MEW 0.9371
354 MWJ 0.9370
355 RIB 0.9369
356 ERH 0.9368
357 42C 0.9368
358 ABV 0.9368
359 1AN 0.9367
360 M5K 0.9367
361 MRW 0.9366
362 JZ1 0.9366
363 SX1 0.9363
364 FP2 0.9363
365 WCE 0.9362
366 3RK 0.9360
367 PXL 0.9360
368 AQO 0.9359
369 KT7 0.9359
370 11S 0.9359
371 2AF 0.9358
372 ORO 0.9358
373 BEW 0.9355
374 INS 0.9355
375 KOJ 0.9354
376 2DR 0.9351
377 6M1 0.9350
378 DFU 0.9350
379 4HC 0.9350
380 M1Q 0.9349
381 JZ0 0.9348
382 GYE 0.9348
383 4PW 0.9347
384 32X 0.9347
385 HHA 0.9346
386 G2F 0.9346
387 8CM 0.9344
388 35C 0.9344
389 2CQ 0.9344
390 XLS 0.9343
391 93Q 0.9340
392 9TZ 0.9340
393 P3K 0.9339
394 8TX 0.9339
395 PBE 0.9334
396 IJZ 0.9333
397 DHB 0.9333
398 ASO 0.9332
399 FK1 0.9330
400 CIG 0.9330
401 XQ0 0.9330
402 75K 0.9328
403 J9W 0.9327
404 BRT 0.9327
405 KBG 0.9327
406 8NY 0.9326
407 R8S 0.9326
408 5JQ 0.9326
409 4NC 0.9326
410 CTL 0.9322
411 SOE 0.9322
412 Q6T 0.9321
413 YTB 0.9320
414 2CH 0.9319
415 EA1 0.9319
416 KUF 0.9318
417 SEJ 0.9318
418 JAE 0.9317
419 BHO 0.9317
420 KPL 0.9316
421 URQ 0.9316
422 AKH 0.9315
423 5NU 0.9315
424 QSC 0.9313
425 DOR 0.9312
426 NDH 0.9312
427 0R0 0.9309
428 TLD 0.9309
429 IUR 0.9305
430 F0J 0.9305
431 AJ2 0.9303
432 SYN 0.9303
433 1P3 0.9303
434 AGK 0.9301
435 DIE 0.9300
436 DIN 0.9300
437 ABE 0.9300
438 TH7 0.9296
439 QWN 0.9295
440 1DW 0.9295
441 VNL 0.9295
442 HTS 0.9293
443 NOJ 0.9293
444 4HM 0.9290
445 NOY 0.9289
446 MLT 0.9286
447 938 0.9285
448 280 0.9284
449 5JL 0.9284
450 SKA 0.9283
451 94N 0.9282
452 R2B 0.9282
453 WOO 0.9281
454 HMH 0.9281
455 DHQ 0.9280
456 XAZ 0.9279
457 Y8I 0.9278
458 1XX 0.9277
459 2MN 0.9276
460 AMC 0.9275
461 ALL 0.9274
462 NEQ 0.9273
463 LSA 0.9272
464 34D 0.9271
465 9TY 0.9271
466 H3M 0.9270
467 HGQ 0.9269
468 4H2 0.9269
469 AFR 0.9268
470 GIF 0.9268
471 HBX 0.9268
472 1AB 0.9267
473 FPI 0.9265
474 HFB 0.9264
475 2H5 0.9264
476 45C 0.9263
477 DMJ 0.9263
478 IFL 0.9262
479 M3T 0.9261
480 EDG 0.9259
481 JUG 0.9258
482 MAK 0.9258
483 FP1 0.9258
484 Z6J 0.9258
485 PHT 0.9258
486 24B 0.9255
487 MNM 0.9253
488 5OB 0.9253
489 5CU 0.9253
490 IV2 0.9252
491 B3R 0.9251
492 AW5 0.9251
493 3OC 0.9251
494 TEP 0.9249
495 SHG 0.9248
496 4XX 0.9248
497 2FG 0.9247
498 XX2 0.9245
499 D1X 0.9245
500 2AQ 0.9244
501 PBC 0.9244
502 329 0.9243
503 HEW 0.9241
504 G4D 0.9241
505 SJ5 0.9240
506 G5V 0.9239
507 HMU 0.9239
508 NTM 0.9237
509 COU 0.9237
510 8EZ 0.9237
511 BDF 0.9237
512 ICF 0.9236
513 4ZC 0.9233
514 IPZ 0.9233
515 4FS 0.9232
516 ES5 0.9231
517 PYF 0.9229
518 03V 0.9229
519 GLA 0.9229
520 BMA 0.9228
521 QXW 0.9228
522 6KX 0.9228
523 DHK 0.9228
524 5RN 0.9225
525 MYJ 0.9224
526 MAN 0.9223
527 DAB 0.9223
528 KIV 0.9223
529 CTS 0.9220
530 3XX 0.9219
531 ABN 0.9218
532 2EC 0.9217
533 F81 0.9214
534 3IT 0.9213
535 V55 0.9212
536 OAA 0.9212
537 4M4 0.9212
538 INO 0.9211
539 94B 0.9211
540 3Z8 0.9210
541 NBE 0.9210
542 2LP 0.9210
543 PY7 0.9210
544 FOA 0.9208
545 QWW 0.9205
546 PRO 0.9205
547 C2U 0.9201
548 ZZT 0.9200
549 BHA 0.9200
550 DOB 0.9200
551 OCH 0.9200
552 QX2 0.9200
553 OVM 0.9198
554 2XX 0.9198
555 6X8 0.9198
556 ALO 0.9197
557 3DM 0.9196
558 YAN 0.9195
559 JB5 0.9195
560 FA0 0.9195
561 285 0.9195
562 H42 0.9195
563 260 0.9193
564 KLW 0.9193
565 1GN 0.9193
566 NNO 0.9192
567 47J 0.9191
568 4M0 0.9188
569 3MB 0.9188
570 MSN 0.9186
571 TBP 0.9186
572 ECE 0.9186
573 8H8 0.9183
574 AC0 0.9183
575 F4Z 0.9182
576 D07 0.9182
577 86J 0.9182
578 3HM 0.9182
579 B57 0.9181
580 LMR 0.9180
581 P9P 0.9179
582 TAR 0.9179
583 FHB 0.9178
584 4A3 0.9177
585 ENL 0.9177
586 GOO 0.9177
587 12B 0.9176
588 PYC 0.9176
589 AUD 0.9176
590 ICC 0.9174
591 1MR 0.9174
592 2HO 0.9172
593 7VJ 0.9171
594 8WT 0.9171
595 JBN 0.9171
596 HHQ 0.9170
597 GAF 0.9169
598 G1O 0.9168
599 1P8 0.9167
600 MRZ 0.9166
601 GLF 0.9166
602 37T 0.9165
603 PZI 0.9164
604 VGD 0.9163
605 N8P 0.9162
606 XBT 0.9162
607 6LW 0.9161
608 93K 0.9160
609 QBK 0.9160
610 ZZ3 0.9159
611 149 0.9158
612 2TQ 0.9158
613 EUG 0.9156
614 X6X 0.9156
615 KJY 0.9155
616 36R 0.9155
617 3MG 0.9155
618 JLZ 0.9154
619 948 0.9153
620 FH2 0.9153
621 NSP 0.9152
622 DTL 0.9152
623 1LN 0.9151
624 PXM 0.9150
625 VAL 0.9149
626 DGJ 0.9149
627 GIV 0.9148
628 ET2 0.9147
629 PA1 0.9147
630 5WY 0.9147
631 X09 0.9146
632 TC7 0.9145
633 LRH 0.9145
634 CLW 0.9143
635 YIO 0.9143
636 CXL 0.9143
637 TMT 0.9140
638 BDP 0.9140
639 TMZ 0.9139
640 TZE 0.9138
641 RXA 0.9137
642 VK3 0.9137
643 FLA 0.9136
644 TLA 0.9135
645 BCF 0.9131
646 2PC 0.9130
647 51R 0.9129
648 ZWZ 0.9128
649 NQ 0.9127
650 SYV 0.9123
651 CHB 0.9123
652 AZ9 0.9122
653 PYQ 0.9121
654 82I 0.9121
655 HX3 0.9121
656 FAN 0.9120
657 TP5 0.9119
658 CYH 0.9119
659 PAF 0.9118
660 GXL 0.9117
661 SS1 0.9117
662 9TW 0.9116
663 MO8 0.9115
664 FBV 0.9115
665 261 0.9114
666 23W 0.9114
667 2HQ 0.9113
668 DRL 0.9113
669 DQN 0.9112
670 FDK 0.9112
671 FBT 0.9112
672 2ZQ 0.9110
673 TZC 0.9109
674 PFB 0.9109
675 RHU 0.9107
676 C2A 0.9106
677 I1N 0.9106
678 ASC 0.9105
679 PLQ 0.9103
680 4AA 0.9102
681 265 0.9101
682 WOT 0.9100
683 IT2 0.9100
684 KIB 0.9099
685 3PF 0.9099
686 GCU 0.9098
687 N7P 0.9096
688 C21 0.9094
689 BK9 0.9092
690 BBF 0.9091
691 INE 0.9091
692 APY 0.9091
693 B60 0.9090
694 BZ3 0.9090
695 IF7 0.9090
696 7ZE 0.9088
697 X05 0.9088
698 FUB 0.9086
699 PCA 0.9086
700 M58 0.9083
701 NDM 0.9082
702 TCZ 0.9080
703 6HQ 0.9080
704 NPO 0.9080
705 ES2 0.9079
706 OW4 0.9079
707 V1L 0.9079
708 EKZ 0.9078
709 APZ 0.9077
710 4JU 0.9077
711 G3E 0.9076
712 UEG 0.9073
713 5VM 0.9073
714 GDE 0.9073
715 FPN 0.9072
716 E7Z 0.9072
717 ZBT 0.9071
718 2MH 0.9069
719 98J 0.9067
720 HBA 0.9066
721 MUA 0.9065
722 HBD 0.9065
723 XYL 0.9064
724 MWP 0.9064
725 NTZ 0.9061
726 51F 0.9060
727 2IM 0.9060
728 O7U 0.9057
729 ASN 0.9057
730 JFJ 0.9057
731 EYK 0.9056
732 RUU 0.9055
733 DIU 0.9054
734 HIO 0.9051
735 HYP 0.9051
736 273 0.9051
737 RPQ 0.9050
738 173 0.9049
739 MBG 0.9048
740 HAI 0.9048
741 PCR 0.9048
742 680 0.9046
743 F3B 0.9045
744 M2H 0.9044
745 BSX 0.9044
746 SF9 0.9043
747 HQE 0.9043
748 IPH 0.9043
749 CFF 0.9040
750 5CL 0.9039
751 HQD 0.9038
752 HA7 0.9037
753 LT2 0.9036
754 IP0 0.9034
755 LG4 0.9033
756 CN0 0.9031
757 IBF 0.9030
758 JAB 0.9030
759 ICO 0.9029
760 5XC 0.9027
761 QPR 0.9026
762 CGB 0.9026
763 SS2 0.9026
764 ASP 0.9026
765 UY7 0.9025
766 278 0.9024
767 SHA 0.9024
768 SRT 0.9024
769 DA1 0.9020
770 2AL 0.9020
771 9CL 0.9018
772 IHB 0.9017
773 BNS 0.9017
774 H76 0.9014
775 A13 0.9014
776 SRO 0.9014
777 MFU 0.9013
778 RSO 0.9013
779 SMV 0.9013
780 YHO 0.9012
781 PRY 0.9010
782 95Z 0.9010
783 GCB 0.9008
784 CIZ 0.9008
785 UAN 0.9007
786 1Y6 0.9007
787 NIZ 0.9006
788 826 0.9005
789 LER 0.9005
790 Z82 0.9005
791 JA8 0.9002
792 RB5 0.9002
793 PCI 0.9002
794 TIU 0.9002
795 PHB 0.9001
796 25R 0.9000
797 ISZ 0.8998
798 HZP 0.8996
799 9PO 0.8996
800 92K 0.8995
801 PAB 0.8995
802 SPV 0.8995
803 GTR 0.8994
804 LDU 0.8993
805 QSB 0.8993
806 3AP 0.8992
807 XHP 0.8991
808 NID 0.8991
809 P72 0.8989
810 MAQ 0.8988
811 4AP 0.8988
812 2AP 0.8987
813 44V 0.8986
814 1DU 0.8986
815 PXY 0.8984
816 4JT 0.8983
817 PBZ 0.8983
818 CFI 0.8983
819 SW7 0.8980
820 MBN 0.8979
821 UGC 0.8978
822 JZ4 0.8978
823 3SL 0.8978
824 AJV 0.8975
825 GOG 0.8974
826 FBB 0.8974
827 4MA 0.8974
828 MT5 0.8974
829 II6 0.8974
830 SVD 0.8974
831 B62 0.8974
832 5QY 0.8973
833 A2Q 0.8972
834 L60 0.8972
835 B24 0.8972
836 0N7 0.8970
837 174 0.8969
838 K2T 0.8968
839 FRU 0.8966
840 K17 0.8962
841 HRZ 0.8962
842 IFP 0.8962
843 EVA 0.8962
844 GOX 0.8961
845 J9T 0.8960
846 LFR 0.8959
847 1M2 0.8956
848 FB1 0.8953
849 XUL 0.8953
850 3R6 0.8950
851 4CH 0.8948
852 SKM 0.8948
853 G2H 0.8946
854 HNQ 0.8946
855 BEA 0.8945
856 GTZ 0.8945
857 0FO 0.8945
858 LYL 0.8942
859 PYJ 0.8942
860 SE2 0.8941
861 0LH 0.8941
862 M2K 0.8938
863 ADA 0.8936
864 TBS 0.8935
865 OTW 0.8935
866 HVK 0.8934
867 4Z4 0.8934
868 MR1 0.8934
869 URP 0.8934
870 FBW 0.8932
871 XCZ 0.8931
872 7EX 0.8931
873 SXS 0.8930
874 3FH 0.8929
875 2AK 0.8928
876 KIA 0.8928
877 0JD 0.8928
878 D48 0.8928
879 4VP 0.8928
880 PDC 0.8927
881 44W 0.8926
882 TFB 0.8925
883 1DJ 0.8922
884 JXN 0.8921
885 MB3 0.8921
886 ARW 0.8921
887 LGA 0.8921
888 DBX 0.8920
889 F31 0.8920
890 J5I 0.8919
891 GLT 0.8917
892 JND 0.8916
893 FGZ 0.8915
894 MAE 0.8915
895 OVP 0.8913
896 ZB1 0.8909
897 FA1 0.8909
898 ITN 0.8907
899 2KT 0.8905
900 2PG 0.8904
901 ZXD 0.8903
902 DQU 0.8902
903 7N0 0.8902
904 QX4 0.8900
905 14J 0.8898
906 QAT 0.8897
907 LKA 0.8897
908 B0D 0.8896
909 TSS 0.8896
910 AC6 0.8895
911 FBM 0.8895
912 9KT 0.8895
913 KP6 0.8894
914 HXX 0.8894
915 XIY 0.8894
916 TFU 0.8890
917 1DQ 0.8888
918 6ME 0.8887
919 SER 0.8887
920 TOF 0.8882
921 NK2 0.8882
922 QSH 0.8882
923 PRZ 0.8878
924 4HS 0.8877
925 THR 0.8876
926 717 0.8873
927 DSN 0.8873
928 4ME 0.8872
929 7D2 0.8871
930 BML 0.8871
931 NXA 0.8870
932 4MU 0.8869
933 32O 0.8867
934 MVL 0.8867
935 CRN 0.8865
936 7MU 0.8865
937 93B 0.8863
938 7ME 0.8862
939 0FN 0.8862
940 ZVO 0.8861
941 DGY 0.8861
942 6RQ 0.8859
943 EV0 0.8858
944 DEE 0.8857
945 GM7 0.8856
946 HSL 0.8856
947 QAS 0.8855
948 2A9 0.8855
949 GJS 0.8852
950 TTY 0.8852
951 HIS 0.8852
952 F12 0.8850
953 DTI 0.8849
954 GZ8 0.8848
955 YQA 0.8848
956 MXN 0.8845
957 6VD 0.8845
958 SOR 0.8845
959 GLY PRO 0.8844
960 K8X 0.8844
961 FA3 0.8843
962 GXE 0.8840
963 OEM 0.8839
964 KSW 0.8838
965 3AL 0.8836
966 TMH 0.8835
967 X0V 0.8835
968 IPB 0.8830
969 5DI 0.8830
970 VOH 0.8829
971 AH8 0.8828
972 MVN 0.8827
973 F9P 0.8826
974 LDP 0.8826
975 CEJ 0.8825
976 GTL 0.8825
977 GT0 0.8823
978 MMZ 0.8823
979 PEP 0.8820
980 DZX 0.8820
981 MS9 0.8813
982 FB2 0.8813
983 AIN 0.8812
984 PRF 0.8810
985 FBA 0.8810
986 JZ5 0.8810
987 MQN 0.8809
988 8CL 0.8808
989 MLI 0.8808
990 AS3 0.8807
991 PQ0 0.8806
992 DMI 0.8805
993 4JN 0.8805
994 N8Y 0.8805
995 KBB 0.8804
996 AEZ 0.8802
997 KJU 0.8802
998 AMG 0.8801
999 SF6 0.8798
1000 MLA 0.8798
1001 GIM 0.8797
1002 OK7 0.8797
1003 DXX 0.8795
1004 RMN 0.8795
1005 PHH 0.8794
1006 4AX 0.8794
1007 4XV 0.8792
1008 5RO 0.8791
1009 DNF 0.8790
1010 FQI 0.8790
1011 GLU 0.8789
1012 7B3 0.8787
1013 DAS 0.8786
1014 PSV 0.8784
1015 6JN 0.8783
1016 K5W 0.8783
1017 F9Y 0.8782
1018 MZ0 0.8782
1019 9RW 0.8780
1020 B2J 0.8780
1021 PHU 0.8779
1022 H8N 0.8778
1023 HSE 0.8777
1024 209 0.8776
1025 HYN 0.8776
1026 24T 0.8775
1027 IOL 0.8774
1028 H33 0.8773
1029 7WR 0.8773
1030 PMB 0.8773
1031 FCR 0.8773
1032 HTP 0.8772
1033 8XQ 0.8771
1034 5GU 0.8769
1035 4YO 0.8767
1036 J9Q 0.8767
1037 MZB 0.8766
1038 HIU 0.8765
1039 CXF 0.8765
1040 OMD 0.8764
1041 9X7 0.8763
1042 1DV 0.8761
1043 DMG 0.8761
1044 4JQ 0.8760
1045 TEO 0.8756
1046 GZL 0.8756
1047 QIC 0.8753
1048 40E 0.8752
1049 1U6 0.8752
1050 8OZ 0.8750
1051 DYA 0.8749
1052 4FH 0.8749
1053 3PY 0.8746
1054 JTH 0.8746
1055 DHS 0.8744
1056 PEL 0.8744
1057 GXY 0.8742
1058 GV9 0.8742
1059 4JL 0.8740
1060 PAV 0.8739
1061 SFU 0.8738
1062 M4T 0.8738
1063 9PY 0.8735
1064 XSP 0.8735
1065 EJZ 0.8735
1066 MZW 0.8735
1067 TPA 0.8733
1068 H7Y 0.8731
1069 069 0.8730
1070 TTO 0.8730
1071 QY9 0.8726
1072 MMA 0.8725
1073 ODO 0.8725
1074 ZZ8 0.8723
1075 4XS 0.8721
1076 DPZ 0.8719
1077 0TU 0.8716
1078 9X6 0.8716
1079 97T 0.8716
1080 GLL 0.8715
1081 NGO 0.8714
1082 FBG 0.8713
1083 HHN 0.8711
1084 23J 0.8705
1085 D3M 0.8704
1086 8ZE 0.8702
1087 O2A 0.8699
1088 R9Y 0.8699
1089 C2B 0.8697
1090 9YL 0.8696
1091 LI6 0.8695
1092 FLC 0.8694
1093 8WO 0.8692
1094 KG7 0.8691
1095 NVI 0.8691
1096 FAC 0.8689
1097 H6B 0.8688
1098 06B 0.8687
1099 BCU 0.8685
1100 45L 0.8685
1101 4TU 0.8683
1102 0HO 0.8683
1103 PKU 0.8682
1104 4P5 0.8680
1105 FBU 0.8678
1106 PEA 0.8677
1107 LNR 0.8676
1108 A65 0.8675
1109 E60 0.8673
1110 271 0.8672
1111 XIX 0.8663
1112 UFV 0.8663
1113 NVU 0.8662
1114 K34 0.8662
1115 2BG 0.8660
1116 3C1 0.8660
1117 RD4 0.8659
1118 Z5P 0.8658
1119 PX7 0.8657
1120 4SX 0.8656
1121 CEE 0.8652
1122 4JM 0.8651
1123 C5J 0.8651
1124 9FL 0.8648
1125 L99 0.8647
1126 EOL 0.8643
1127 SAN 0.8642
1128 K22 0.8641
1129 PAC 0.8640
1130 BVC 0.8640
1131 SIF 0.8631
1132 AAS 0.8629
1133 K6X 0.8623
1134 SC2 0.8622
1135 PIH 0.8622
1136 5NE 0.8618
1137 OA3 0.8615
1138 E3D 0.8613
1139 3C2 0.8610
1140 PBR 0.8606
1141 2FQ 0.8606
1142 KFH 0.8605
1143 K32 0.8603
1144 T9G 0.8601
1145 PBA 0.8598
1146 MJ2 0.8597
1147 CYS 0.8596
1148 0V5 0.8590
1149 HGW 0.8588
1150 XXP 0.8587
1151 0HN 0.8586
1152 Q7A 0.8586
1153 EDR 0.8584
1154 C2Y 0.8580
1155 TWO 0.8575
1156 2LY 0.8573
1157 MHK 0.8570
1158 42J 0.8565
1159 TSU 0.8560
1160 6NT 0.8560
1161 SYG 0.8559
1162 NCD 0.8550
1163 3NY 0.8550
1164 N2I 0.8547
1165 JXW 0.8546
1166 2ZM 0.8544
1167 B5D 0.8543
1168 PD2 0.8542
1169 091 0.8538
Ligand no: 2; Ligand: ADP; Similar ligands found: 65
No: Ligand Similarity coefficient
1 BMQ 1.0000
2 ADP ALF 0.9881
3 ADP AF3 0.9881
4 ADP VO4 0.9881
5 DGI 0.9763
6 GDP MG 0.9684
7 GDP BEF 0.9644
8 ALF GDP 0.9644
9 GDP ALF 0.9644
10 BEF GDP 0.9610
11 GDP AF3 0.9610
12 NYZ 0.9560
13 M7G 0.9527
14 GP2 0.9485
15 UDP 0.9410
16 G8D 0.9364
17 TYD 0.9340
18 CDP 0.9333
19 GCQ 0.9290
20 8GD 0.9252
21 CDP MG 0.9246
22 DUD 0.9233
23 YYY 0.9230
24 D4D 0.9127
25 KB7 0.9099
26 DUN 0.9081
27 TBD 0.9046
28 IMP 0.9020
29 IRP 0.8992
30 MGT 0.8986
31 FMP 0.8980
32 UDP UDP 0.8979
33 G3D 0.8938
34 UC5 0.8921
35 ALF 5GP 0.8902
36 7XL 0.8868
37 GTP MG 0.8843
38 XMP 0.8838
39 IMU 0.8829
40 MOD 0.8822
41 C8M 0.8795
42 A8M 0.8784
43 8OP 0.8777
44 DG 0.8750
45 DGP 0.8750
46 MSP 0.8735
47 G7M 0.8734
48 6MA 0.8734
49 6CG 0.8732
50 PFU 0.8701
51 FZT 0.8697
52 DBG 0.8693
53 DGT 0.8685
54 FZQ 0.8683
55 MZP 0.8680
56 93A 0.8679
57 S3N 0.8673
58 0RC 0.8661
59 TKW 0.8651
60 5FU 0.8637
61 FNU 0.8616
62 FZK 0.8607
63 UTP 0.8603
64 UP6 0.8572
65 NMN 0.8537
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q8Y; Ligand: ADP; Similar sites found with APoc: 30
This union binding pocket(no: 1) in the query (biounit: 1q8y.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4WNK 453 14.2091
2 5UIU 8CG 14.8607
3 5LPB ADP 14.8649
4 5DMZ ADP 16.7123
5 5DBX ANP 21.0366
6 4WNP 3RJ 21.6028
7 4WNP 3RJ 21.6028
8 4WB6 ATP 26.5714
9 4WB6 ATP 26.5714
10 2QCS ANP 26.8571
11 5LVP ATP 31.8328
12 4NW6 2NS 33.1269
13 3M2W L8I 33.4448
14 2YAB AMP 33.518
15 2RIO ADP 35.1206
16 2RIO ADP 35.1206
17 5LI1 ANP 35.3107
18 5LXM ADP 36.7491
19 4BFM ANP 39.521
20 1PHK ATP 40.2685
21 4FG8 ATP 43.1746
22 4FG8 ATP 43.1746
23 2WU6 DKI 44.504
24 5JZJ AN2 44.7811
25 5JZJ AN2 44.7811
26 4UX9 ANP 47.2527
27 4UX9 ANP 47.2527
28 5X8I SQZ 47.9769
29 6GUE FB8 48.0132
30 4CFU 2WC 48.1848