Receptor
PDB id Resolution Class Description Source Keywords
1RL9 1.45 Å EC: 2.7.3.3 CRYSTAL STRUCTURE OF CREATINE-ADP ARGININE KINASE TERNARY COMPLEX LIMULUS POLYPHEMUS ARGININE KINASE TRANSFERASE
Ref.: THE ROLE OF PHOSPHAGEN SPECIFICITY LOOPS IN ARGININE KINASE. PROTEIN SCI. V. 13 575 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:900;
 Valid;
 none;
 submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
IOM A:902;
 Valid;
 none;
 submit data
133.149 C4 H11 N3 O2 CN(CC...
MG A:901;
 Invalid;
 none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M15 1.2 Å EC: 2.7.3.3 TRANSITION STATE STRUCTURE OF ARGININE KINASE LIMULUS POLYPHEMUS ARGININE KINASE CREATINE KINASE PHOSPHAGEN KINASE TRANSITANALOG ADENOSINE TRIPHOSPHATE TRANSFERASE
Ref.: REFINEMENT OF THE ARGININE KINASE TRANSITION-STATE COMPLEX AT 1.2 A RESOLUTION: MECHANISTIC INSIGHTS. ACTA CRYSTALLOGR.,SECT.D V. 58 2009 2002
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1BG0 - DAR C6 H15 N4 O2 C(C[C@H](C....
2 1M15 - ARG C6 H15 N4 O2 C(C[C@@H](....
3 5J99 - ARG C6 H15 N4 O2 C(C[C@@H](....
4 1P52 - DAR C6 H15 N4 O2 C(C[C@H](C....
5 1RL9 - IOM C4 H11 N3 O2 CN(CC(=O)O....
6 4GW2 - ORN C5 H12 N2 O2 C(C[C@@H](....
7 1SD0 - ARG C6 H15 N4 O2 C(C[C@@H](....
8 4GW0 - ILO C7 H15 N3 O2 CC(=N)NCCC....
9 5J9A - ARG C6 H15 N4 O2 C(C[C@@H](....
10 4GVY - CIR C6 H13 N3 O3 C(C[C@@H](....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4BHL - ARG C6 H15 N4 O2 C(C[C@@H](....
2 1BG0 - DAR C6 H15 N4 O2 C(C[C@H](C....
3 1M15 - ARG C6 H15 N4 O2 C(C[C@@H](....
4 5J99 - ARG C6 H15 N4 O2 C(C[C@@H](....
5 1P52 - DAR C6 H15 N4 O2 C(C[C@H](C....
6 1RL9 - IOM C4 H11 N3 O2 CN(CC(=O)O....
7 4GW2 - ORN C5 H12 N2 O2 C(C[C@@H](....
8 1SD0 - ARG C6 H15 N4 O2 C(C[C@@H](....
9 4GW0 - ILO C7 H15 N3 O2 CC(=N)NCCC....
10 5J9A - ARG C6 H15 N4 O2 C(C[C@@H](....
11 4GVY - CIR C6 H13 N3 O3 C(C[C@@H](....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3JQ3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1VRP - IOM C4 H11 N3 O2 CN(CC(=O)O....
3 3B6R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 3DRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 4BHL - ARG C6 H15 N4 O2 C(C[C@@H](....
6 1U6R - IOM C4 H11 N3 O2 CN(CC(=O)O....
7 1BG0 - DAR C6 H15 N4 O2 C(C[C@H](C....
8 1M15 - ARG C6 H15 N4 O2 C(C[C@@H](....
9 5J99 - ARG C6 H15 N4 O2 C(C[C@@H](....
10 1P52 - DAR C6 H15 N4 O2 C(C[C@H](C....
11 1RL9 - IOM C4 H11 N3 O2 CN(CC(=O)O....
12 4GW2 - ORN C5 H12 N2 O2 C(C[C@@H](....
13 1SD0 - ARG C6 H15 N4 O2 C(C[C@@H](....
14 4GW0 - ILO C7 H15 N3 O2 CC(=N)NCCC....
15 5J9A - ARG C6 H15 N4 O2 C(C[C@@H](....
16 4GVY - CIR C6 H13 N3 O3 C(C[C@@H](....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; 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
Ligand no: 2; Ligand: IOM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 IOM 1 1
2 DMG 0.5 0.657143
3 CMS 0.481481 0.815789
4 CRN 0.448276 0.942857
Similar Ligands (3D)
Ligand no: 1; 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
Ligand no: 2; Ligand: IOM; Similar ligands found: 615
No: Ligand Similarity coefficient
1 OAA 1.0000
2 MLT 0.9971
3 DAS 0.9945
4 LMR 0.9943
5 ASP 0.9923
6 ASN 0.9909
7 UGC 0.9894
8 NXA 0.9880
9 TEO 0.9869
10 COI 0.9862
11 ITN 0.9827
12 FUM 0.9724
13 SIN 0.9677
14 PZI 0.9623
15 TLA 0.9612
16 2RH 0.9594
17 TFB 0.9590
18 IZC 0.9570
19 OEM 0.9569
20 PRO 0.9564
21 SHF 0.9550
22 ONL 0.9548
23 SC2 0.9545
24 AC5 0.9543
25 NMG 0.9542
26 SPA 0.9538
27 PEP 0.9538
28 69O 0.9537
29 IQ0 0.9534
30 LEU 0.9523
31 QY9 0.9503
32 HSE 0.9503
33 HYP 0.9502
34 98J 0.9496
35 PCA 0.9494
36 2AS 0.9486
37 HDA 0.9480
38 6PC 0.9473
39 GZ3 0.9472
40 ILE 0.9467
41 MRZ 0.9459
42 QFH 0.9457
43 SPV 0.9456
44 JYD 0.9451
45 HCS 0.9448
46 SRT 0.9442
47 VAL 0.9431
48 9X7 0.9430
49 0V5 0.9427
50 AKG 0.9424
51 GLN 0.9416
52 MAE 0.9416
53 AL0 0.9413
54 HY3 0.9398
55 40E 0.9394
56 I4B 0.9393
57 TAR 0.9389
58 HZP 0.9388
59 DAB 0.9381
60 URP 0.9381
61 R9S 0.9380
62 THR 0.9380
63 OKG 0.9373
64 8EZ 0.9369
65 T2C 0.9363
66 SS2 0.9362
67 H95 0.9359
68 PPR 0.9358
69 2CO 0.9355
70 51F 0.9351
71 4MV 0.9340
72 RBL 0.9335
73 KIV 0.9332
74 23B 0.9326
75 NVA 0.9324
76 DCL 0.9321
77 IHG 0.9317
78 JZ5 0.9303
79 MUC 0.9301
80 FW5 0.9298
81 AKB 0.9291
82 HX2 0.9290
83 DYA 0.9290
84 192 0.9289
85 TZE 0.9288
86 HL5 0.9286
87 GLY ALA 0.9281
88 CXF 0.9281
89 VAH 0.9280
90 2PC 0.9275
91 VKC 0.9274
92 YCP 0.9270
93 3SL 0.9269
94 9ON 0.9267
95 TZL 0.9266
96 ZBT 0.9266
97 THE 0.9266
98 MAK 0.9265
99 HY1 0.9263
100 OHP 0.9262
101 7N0 0.9262
102 273 0.9261
103 GLU 0.9261
104 ICF 0.9251
105 2IT 0.9249
106 DGL 0.9248
107 1DU 0.9246
108 GGL 0.9241
109 HYA 0.9237
110 MLE 0.9234
111 PRS 0.9232
112 ABU 0.9228
113 PAC 0.9227
114 RMN 0.9226
115 M4T 0.9225
116 PGA 0.9224
117 GUA 0.9224
118 GRO 0.9224
119 EHM 0.9223
120 PEA 0.9222
121 5FX 0.9211
122 PEQ 0.9206
123 ALA ALA 0.9206
124 HSM 0.9204
125 R2B 0.9204
126 PEL 0.9203
127 DXX 0.9199
128 6JN 0.9198
129 BNS 0.9198
130 8EW 0.9197
131 271 0.9197
132 ROR 0.9195
133 RSO 0.9195
134 QDK 0.9189
135 FLA 0.9187
136 WTZ 0.9185
137 LNO 0.9184
138 RNS 0.9182
139 4CS 0.9181
140 DGN 0.9180
141 RNT 0.9180
142 1AB 0.9179
143 SER 0.9176
144 BAM 0.9175
145 LER 0.9172
146 DPR 0.9171
147 ALO 0.9170
148 AMC 0.9168
149 XLS 0.9165
150 PG3 0.9164
151 2AL 0.9163
152 HIO 0.9160
153 H3M 0.9157
154 EDG 0.9156
155 ORN 0.9156
156 3V4 0.9155
157 3OC 0.9155
158 2FT 0.9154
159 HIS 0.9152
160 7A8 0.9151
161 AHB 0.9149
162 XYL 0.9149
163 RB5 0.9149
164 RB0 0.9149
165 RSF 0.9145
166 CSS 0.9145
167 IXW 0.9145
168 PAH 0.9143
169 X1S 0.9143
170 OGA 0.9142
171 JZ7 0.9138
172 CIZ 0.9136
173 RUU 0.9134
174 BEN 0.9133
175 IMR 0.9133
176 9YL 0.9132
177 MLI 0.9130
178 IT2 0.9129
179 M6W 0.9127
180 5AC 0.9126
181 2TQ 0.9123
182 URA 0.9123
183 GYE 0.9122
184 GLL 0.9120
185 261 0.9118
186 URS 0.9118
187 XUL 0.9118
188 NCA 0.9118
189 NLE 0.9116
190 SNE 0.9114
191 R1X 0.9113
192 O7U 0.9113
193 URQ 0.9110
194 2LP 0.9105
195 1P3 0.9105
196 SKG 0.9105
197 PAE 0.9102
198 KMH 0.9101
199 23W 0.9101
200 GAG 0.9100
201 FOC 0.9098
202 PMB 0.9097
203 MRY 0.9095
204 32O 0.9093
205 NIO 0.9089
206 KMT 0.9088
207 DGY 0.9088
208 03W 0.9088
209 1SA 0.9087
210 KOJ 0.9083
211 BUB 0.9082
212 13P 0.9081
213 MLA 0.9080
214 60P 0.9078
215 1LN 0.9078
216 TB6 0.9078
217 3PP 0.9077
218 7WG 0.9072
219 PAF 0.9071
220 BHO 0.9071
221 PEZ 0.9066
222 HIU 0.9063
223 UYA 0.9062
224 CEE 0.9060
225 3MV 0.9060
226 DSN 0.9056
227 TMH 0.9056
228 BDR 0.9054
229 HTX 0.9052
230 PRI 0.9052
231 FP1 0.9051
232 XSP 0.9051
233 2PG 0.9051
234 MED 0.9049
235 PLU 0.9043
236 5HY 0.9043
237 0OC 0.9042
238 2HG 0.9042
239 1DQ 0.9042
240 3PY 0.9041
241 285 0.9041
242 ACH 0.9040
243 APY 0.9034
244 2KT 0.9033
245 HBA 0.9033
246 26D 0.9032
247 DS0 0.9028
248 PZA 0.9027
249 FPI 0.9027
250 NPO 0.9026
251 KPL 0.9024
252 DTL 0.9024
253 3PG 0.9023
254 RHU 0.9023
255 9TY 0.9021
256 CDV 0.9021
257 PBC 0.9021
258 DPF 0.9020
259 54D 0.9019
260 PRY 0.9019
261 9X6 0.9018
262 SOR 0.9018
263 SS1 0.9018
264 ISZ 0.9016
265 FB2 0.9016
266 FB1 0.9016
267 URF 0.9016
268 K7M 0.9012
269 PMF 0.9011
270 3HL 0.9010
271 3S5 0.9010
272 GLY GLY 0.9005
273 OK7 0.9004
274 SAL 0.9002
275 QSC 0.8998
276 282 0.8998
277 3SK 0.8997
278 JBN 0.8997
279 2RA 0.8996
280 P2D 0.8995
281 DMV 0.8994
282 NBZ 0.8994
283 1SP 0.8992
284 MEV 0.8992
285 CYS 0.8992
286 JZ4 0.8991
287 49F 0.8991
288 1DV 0.8989
289 ABN 0.8989
290 34V 0.8989
291 XBT 0.8989
292 SSN 0.8987
293 MD0 0.8987
294 F9P 0.8983
295 HPS 0.8983
296 SYN 0.8981
297 PYJ 0.8981
298 TZC 0.8981
299 IFM 0.8979
300 278 0.8979
301 OXQ 0.8979
302 BSX 0.8979
303 BE2 0.8978
304 GJZ 0.8977
305 3U4 0.8976
306 N8P 0.8976
307 PHB 0.8975
308 BEZ 0.8974
309 AHR 0.8973
310 ISD 0.8972
311 VGL 0.8971
312 GBD 0.8969
313 BAE 0.8968
314 6CS 0.8968
315 CRS 0.8967
316 PAB 0.8964
317 3HR 0.8963
318 I1E 0.8961
319 4XR 0.8961
320 BHH 0.8959
321 FBV 0.8957
322 MET 0.8955
323 FUB 0.8953
324 RIP 0.8953
325 DHS 0.8950
326 G3H 0.8946
327 HBX 0.8945
328 FPK 0.8945
329 UNU 0.8944
330 UY7 0.8942
331 KG7 0.8942
332 IP0 0.8942
333 ASC 0.8941
334 C2N 0.8940
335 M58 0.8938
336 DE2 0.8938
337 DUC 0.8937
338 NTN 0.8936
339 IVA 0.8935
340 KTA 0.8933
341 PY7 0.8932
342 AAE 0.8932
343 HPY 0.8932
344 GG6 0.8929
345 SAT 0.8928
346 WBU 0.8927
347 DHB 0.8926
348 4HP 0.8924
349 280 0.8923
350 8OZ 0.8922
351 LEA 0.8922
352 51R 0.8921
353 ICN 0.8921
354 2DR 0.8919
355 SMV 0.8918
356 SEP 0.8917
357 PYC 0.8914
358 SJ5 0.8913
359 1WD 0.8911
360 MTL 0.8910
361 LRH 0.8910
362 2XX 0.8909
363 QMP 0.8908
364 FEH 0.8907
365 4SV 0.8906
366 NBE 0.8906
367 LDU 0.8905
368 G2H 0.8905
369 DAL DAL 0.8905
370 ES6 0.8904
371 MEQ 0.8902
372 4FA 0.8900
373 GLO 0.8900
374 JKE 0.8900
375 CP 0.8899
376 FOA 0.8898
377 PRZ 0.8898
378 HUI 0.8898
379 HSO 0.8898
380 4VP 0.8897
381 MLM 0.8895
382 PBE 0.8895
383 OXZ 0.8895
384 IPU 0.8895
385 2MH 0.8894
386 SYC 0.8894
387 173 0.8890
388 SGL 0.8890
389 XYS 0.8890
390 DCY 0.8888
391 ABA 0.8888
392 AZF 0.8887
393 G3P 0.8887
394 0MK 0.8886
395 1GP 0.8886
396 1SH 0.8883
397 FSG 0.8880
398 284 0.8878
399 TP5 0.8875
400 1DJ 0.8874
401 BP9 0.8871
402 B24 0.8871
403 DBB 0.8871
404 4JU 0.8871
405 1Y6 0.8869
406 FCN 0.8868
407 TIU 0.8865
408 92K 0.8864
409 A3B 0.8864
410 SMB 0.8863
411 CEJ 0.8863
412 R9M 0.8860
413 PCT 0.8860
414 S0H 0.8860
415 SD4 0.8858
416 JZ1 0.8855
417 AC6 0.8854
418 FCR 0.8854
419 NVI 0.8853
420 PHU 0.8853
421 JZ3 0.8853
422 DCD 0.8852
423 MZ0 0.8851
424 NIZ 0.8847
425 TIH 0.8846
426 C21 0.8844
427 MNN 0.8844
428 TAG 0.8843
429 4NG 0.8843
430 PUT 0.8843
431 9J3 0.8842
432 SYM 0.8841
433 FUC 0.8841
434 FAN 0.8840
435 4PW 0.8839
436 B85 0.8838
437 FQI 0.8838
438 MXN 0.8838
439 XCZ 0.8838
440 OHG 0.8837
441 DFU 0.8837
442 SMN 0.8836
443 7VD 0.8835
444 PYF 0.8834
445 7WV 0.8831
446 NK 0.8831
447 YRL 0.8823
448 3NT 0.8822
449 KYD 0.8820
450 9CL 0.8818
451 FK8 0.8818
452 4NC 0.8818
453 2CL 0.8817
454 FBM 0.8817
455 DIG 0.8816
456 1MR 0.8815
457 MPD 0.8814
458 449 0.8813
459 3YP 0.8812
460 FBJ 0.8812
461 ECE 0.8812
462 K6H 0.8811
463 7C3 0.8810
464 ZGL 0.8809
465 IPM 0.8809
466 4SD 0.8808
467 4JL 0.8807
468 GAB 0.8807
469 PGH 0.8806
470 VNJ 0.8803
471 ODV 0.8803
472 CFI 0.8801
473 9RW 0.8797
474 SDD 0.8796
475 RIB 0.8795
476 39J 0.8795
477 Z6J 0.8795
478 TSU 0.8795
479 3HP 0.8792
480 AC0 0.8792
481 SAN 0.8791
482 HVQ 0.8791
483 H76 0.8790
484 N4B 0.8788
485 NCM 0.8788
486 3XX 0.8788
487 BVG 0.8787
488 0R0 0.8787
489 FBA 0.8786
490 C2B 0.8783
491 BVC 0.8783
492 PSE 0.8781
493 286 0.8779
494 X0V 0.8778
495 2HE 0.8778
496 2EZ 0.8778
497 R8A 0.8778
498 TPA 0.8778
499 PPV 0.8776
500 P22 0.8775
501 4RW 0.8774
502 GP9 0.8772
503 N7P 0.8772
504 HV2 0.8768
505 BNF 0.8764
506 XM0 0.8760
507 LLQ 0.8760
508 G4D 0.8759
509 FUL 0.8756
510 GTQ 0.8754
511 3HB 0.8754
512 LFC 0.8753
513 I38 0.8748
514 NEQ 0.8748
515 152 0.8747
516 H8N 0.8742
517 YHO 0.8737
518 HBD 0.8735
519 FBW 0.8735
520 DOB 0.8734
521 DOR 0.8734
522 5CU 0.8733
523 FUD 0.8730
524 AEG 0.8727
525 HDH 0.8726
526 LYS 0.8726
527 AT3 0.8724
528 2PN 0.8722
529 ICC 0.8722
530 RP7 0.8721
531 KP6 0.8721
532 AGK 0.8715
533 2EH 0.8706
534 CHT 0.8706
535 C5J 0.8702
536 PSJ 0.8700
537 PTO 0.8700
538 SOL 0.8699
539 FBS 0.8695
540 DTU 0.8692
541 LDP 0.8691
542 53C 0.8691
543 FA0 0.8690
544 OPE 0.8690
545 XAP 0.8685
546 3SY 0.8685
547 ICB 0.8681
548 A09 0.8681
549 OTR 0.8679
550 GIF 0.8677
551 CYT 0.8674
552 4J8 0.8674
553 BXO 0.8672
554 FA1 0.8672
555 C2A 0.8671
556 HX3 0.8668
557 DMJ 0.8668
558 IPB 0.8668
559 MSE 0.8668
560 PPY 0.8667
561 AAS 0.8665
562 HCI 0.8664
563 N2Z 0.8660
564 3GR 0.8658
565 265 0.8656
566 DTT 0.8656
567 24B 0.8655
568 TYL 0.8651
569 FPY 0.8649
570 SWA 0.8648
571 RCO 0.8646
572 RAM 0.8645
573 GOL 0.8644
574 LG3 0.8643
575 T9G 0.8643
576 PIS 0.8639
577 WCE 0.8637
578 HHA 0.8635
579 911 0.8635
580 NSP 0.8634
581 A20 0.8633
582 DFB 0.8626
583 FAC 0.8623
584 5DI 0.8622
585 DGJ 0.8622
586 BE7 0.8619
587 5RG 0.8618
588 NCT 0.8610
589 E4P 0.8607
590 BHA 0.8606
591 4M0 0.8604
592 3CH 0.8604
593 AOS 0.8596
594 IFL 0.8594
595 ORO 0.8588
596 TH0 0.8585
597 CNL 0.8574
598 AMH 0.8569
599 MCT 0.8566
600 9TZ 0.8564
601 MNM 0.8558
602 DEN 0.8556
603 5M0 0.8553
604 ASO 0.8551
605 F81 0.8548
606 WOT 0.8540
607 DHK 0.8540
608 1MC 0.8536
609 PHE 0.8532
610 TDR 0.8529
611 MWM 0.8524
612 PKU 0.8522
613 PC 0.8517
614 4ZE 0.8512
615 GXV 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M15; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1m15.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1M15; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1m15.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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