Receptor
PDB id Resolution Class Description Source Keywords
1WDY 1.8 Å EC: 3.1.26.- CRYSTAL STRUCTURE OF RIBONUCLEASE HOMO SAPIENS HYDROLASE NUCLEASE RNA-BINDING
Ref.: STRUCTURAL BASIS FOR RECOGNITION OF 2',5'-LINKED OLIGOADENYLATES BY HUMAN RIBONUCLEASE L EMBO J. V. 23 3929 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
25A A:1001;
Valid;
none;
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1005.63 C30 H38 N15 O19 P3 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WDY 1.8 Å EC: 3.1.26.- CRYSTAL STRUCTURE OF RIBONUCLEASE HOMO SAPIENS HYDROLASE NUCLEASE RNA-BINDING
Ref.: STRUCTURAL BASIS FOR RECOGNITION OF 2',5'-LINKED OLIGOADENYLATES BY HUMAN RIBONUCLEASE L EMBO J. V. 23 3929 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WDY - 25A C30 H38 N15 O19 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WDY - 25A C30 H38 N15 O19 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WDY - 25A C30 H38 N15 O19 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 25A; Similar ligands found: 366
No: Ligand ECFP6 Tc MDL keys Tc
1 25A 1 1
2 25L 0.862069 0.985915
3 A22 0.802326 0.985915
4 AMP 0.75641 0.971429
5 A 0.75641 0.971429
6 A2P 0.731707 0.957143
7 A2D 0.707317 0.971831
8 ADP 0.702381 0.971831
9 AN2 0.694118 0.958333
10 BA3 0.690476 0.971831
11 AP5 0.682353 0.971831
12 B4P 0.682353 0.971831
13 ATR 0.681818 0.943662
14 AGS 0.681818 0.92
15 ATP 0.678161 0.971831
16 HEJ 0.678161 0.971831
17 AT4 0.674419 0.932432
18 5FA 0.670455 0.971831
19 AQP 0.670455 0.971831
20 M33 0.666667 0.931507
21 CA0 0.666667 0.918919
22 ADX 0.666667 0.85
23 ACP 0.659091 0.945205
24 KG4 0.659091 0.918919
25 50T 0.659091 0.931507
26 A2R 0.655914 0.958333
27 PRX 0.651685 0.893333
28 AR6 0.651685 0.944444
29 APR 0.651685 0.944444
30 ACQ 0.648352 0.945205
31 ABM 0.647059 0.917808
32 45A 0.647059 0.917808
33 AD9 0.644444 0.945205
34 SRA 0.642857 0.918919
35 AMP MG 0.642857 0.929577
36 HQG 0.638298 0.958333
37 ADQ 0.635417 0.945205
38 A12 0.632184 0.932432
39 AP2 0.632184 0.932432
40 ANP 0.630435 0.945205
41 6YZ 0.62766 0.945205
42 UPA 0.626168 0.907895
43 8LE 0.623656 0.894737
44 5AL 0.623656 0.931507
45 NA7 0.622449 0.932432
46 ATF 0.617021 0.932432
47 APC 0.615385 0.932432
48 V3L 0.612903 0.971831
49 TAT 0.612903 0.932432
50 T99 0.612903 0.932432
51 AU1 0.611111 0.945205
52 SRP 0.610526 0.906667
53 8LH 0.610526 0.906667
54 PTJ 0.61 0.896104
55 5SV 0.608247 0.848101
56 OAD 0.606061 0.918919
57 9X8 0.606061 0.894737
58 PAJ 0.602041 0.860759
59 ADP BEF 0.6 0.943662
60 ADP MG 0.6 0.943662
61 8LQ 0.597938 0.906667
62 QA7 0.597938 0.894737
63 BIS 0.594059 0.907895
64 KMQ 0.592233 0.906667
65 8QN 0.591837 0.931507
66 OZV 0.591837 0.944444
67 OOB 0.591837 0.958333
68 RBY 0.591398 0.906667
69 ADV 0.591398 0.906667
70 2AM 0.588235 0.916667
71 A1R 0.585859 0.883117
72 AMO 0.585859 0.906667
73 4AD 0.585859 0.894737
74 A3R 0.585859 0.883117
75 DLL 0.58 0.958333
76 00A 0.58 0.907895
77 AHX 0.58 0.871795
78 JNT 0.58 0.918919
79 1ZZ 0.578431 0.839506
80 FYA 0.578431 0.931507
81 3OD 0.578431 0.918919
82 A3P 0.577778 0.971429
83 LMS 0.574713 0.82716
84 ADP PO3 0.574468 0.943662
85 ATP MG 0.574468 0.943662
86 APC MG 0.574468 0.917808
87 3UK 0.574257 0.945205
88 V2G 0.572917 0.896104
89 LAD 0.568627 0.860759
90 B5V 0.568627 0.932432
91 PR8 0.568627 0.85
92 WAQ 0.568627 0.883117
93 BEF ADP 0.568421 0.917808
94 OVE 0.568182 0.88
95 SON 0.565217 0.932432
96 ME8 0.563107 0.839506
97 TXA 0.563107 0.906667
98 NB8 0.563107 0.871795
99 XYA 0.5625 0.819444
100 ADN 0.5625 0.819444
101 RAB 0.5625 0.819444
102 GAP 0.5625 0.893333
103 ADP BMA 0.558824 0.918919
104 AR6 AR6 0.555556 0.944444
105 9SN 0.552381 0.896104
106 VO4 ADP 0.55102 0.945205
107 ALF ADP 0.55102 0.87013
108 ANP MG 0.55102 0.931507
109 MAP 0.55 0.92
110 B5M 0.54717 0.92
111 B5Y 0.54717 0.92
112 FA5 0.54717 0.932432
113 OMR 0.544643 0.829268
114 9ZD 0.544554 0.907895
115 9ZA 0.544554 0.907895
116 PO4 PO4 A A A A PO4 0.543689 0.929577
117 NJP 0.543103 0.945946
118 XAH 0.542056 0.839506
119 PAP 0.541667 0.957747
120 AFH 0.541284 0.884615
121 7D5 0.54023 0.878378
122 NDP 0.53913 0.921053
123 NPW 0.53913 0.886076
124 5AS 0.537634 0.77907
125 4UV 0.537037 0.92
126 NAI 0.535714 0.907895
127 NAX 0.535714 0.873418
128 DAL AMP 0.534653 0.905405
129 TXP 0.534483 0.921053
130 NZQ 0.534483 0.909091
131 G3A 0.53211 0.921053
132 LAQ 0.531532 0.839506
133 2A5 0.53125 0.893333
134 TYM 0.530973 0.932432
135 ODP 0.529915 0.909091
136 3AM 0.52809 0.929577
137 AOC 0.527473 0.821918
138 GA7 0.527273 0.906667
139 G5P 0.527273 0.921053
140 4UU 0.527273 0.92
141 AP0 0.526316 0.896104
142 XNP 0.525424 0.873418
143 PPS 0.525253 0.85
144 GTA 0.522523 0.886076
145 DQV 0.522523 0.958333
146 TXD 0.522124 0.907895
147 UP5 0.522124 0.92
148 6V0 0.522124 0.896104
149 4UW 0.522124 0.884615
150 IMO 0.521739 0.929577
151 JB6 0.518868 0.907895
152 ATP A A A 0.518519 0.957747
153 ATP A 0.518519 0.957747
154 TXE 0.517544 0.907895
155 9BG 0.516949 0.896104
156 6MZ 0.516129 0.930556
157 38V 0.516129 0.886076
158 MYR AMP 0.514019 0.817073
159 LQJ 0.513761 0.944444
160 48N 0.513274 0.871795
161 YLP 0.513274 0.819277
162 4TC 0.513043 0.896104
163 139 0.512821 0.873418
164 5N5 0.511905 0.794521
165 ITT 0.510417 0.916667
166 DND 0.508772 0.932432
167 A4D 0.505882 0.794521
168 5CD 0.505882 0.805556
169 G5A 0.50505 0.77907
170 COD 0.5 0.790698
171 7D3 0.5 0.88
172 L3W 0.5 0.906667
173 3DH 0.5 0.773333
174 ADJ 0.5 0.851852
175 YLB 0.5 0.819277
176 DTA 0.5 0.810811
177 YLC 0.5 0.839506
178 A4P 0.495726 0.843373
179 7D4 0.494845 0.88
180 MTA 0.494382 0.773333
181 NAP 0.492063 0.972222
182 80F 0.491803 0.841463
183 IOT 0.491525 0.831325
184 GPG 0.490741 0.909091
185 TSB 0.490385 0.797619
186 A5A 0.490196 0.807229
187 6C6 0.49 0.881579
188 5X8 0.489796 0.763158
189 H1Q 0.489796 0.90411
190 EP4 0.488636 0.753247
191 TAP 0.488189 0.933333
192 DG1 0.488189 0.921053
193 1DG 0.488189 0.921053
194 BTX 0.487603 0.841463
195 YLA 0.487395 0.819277
196 T5A 0.487395 0.841463
197 7MD 0.486726 0.839506
198 ARG AMP 0.486726 0.829268
199 SSA 0.485437 0.77907
200 NA0 0.484375 0.958904
201 CNA 0.483333 0.932432
202 AYB 0.483333 0.809524
203 M2T 0.483146 0.734177
204 APU 0.483051 0.92
205 TAD 0.482456 0.860759
206 AMP DBH 0.482143 0.893333
207 52H 0.480769 0.77907
208 54H 0.480769 0.788235
209 VMS 0.480769 0.788235
210 PGS 0.479592 0.858974
211 F2R 0.479339 0.841463
212 71V 0.479167 0.883117
213 8X1 0.47619 0.752809
214 5CA 0.47619 0.77907
215 53H 0.47619 0.77907
216 2SA 0.475728 0.906667
217 NMN AMP PO4 0.47541 0.894737
218 NAD 0.47541 0.958333
219 JSQ 0.475248 0.92
220 HFD 0.475248 0.92
221 LPA AMP 0.474138 0.817073
222 7L1 0.472868 0.775281
223 BT5 0.471545 0.831325
224 6IA 0.470588 0.8375
225 6RE 0.468085 0.759494
226 P5A 0.46789 0.744444
227 J4G 0.46789 0.92
228 A3D 0.467742 0.945205
229 LSS 0.46729 0.761364
230 DSZ 0.46729 0.77907
231 NSS 0.46729 0.77907
232 ALF ADP 3PG 0.466102 0.8375
233 6AD 0.466019 0.884615
234 AHZ 0.465517 0.817073
235 D4F 0.464567 0.8625
236 N01 0.464 0.931507
237 MAO 0.463918 0.759036
238 0WD 0.463415 0.921053
239 DSH 0.463158 0.725
240 NVA LMS 0.462963 0.752809
241 N6P 0.462963 0.942857
242 7MC 0.462185 0.819277
243 EAD 0.461538 0.873418
244 AAM 0.458333 0.971429
245 J7C 0.458333 0.769231
246 A3N 0.458333 0.763158
247 6K6 0.457944 0.930556
248 ZAS 0.457447 0.766234
249 M24 0.456693 0.873418
250 YLY 0.456693 0.809524
251 AMZ 0.456522 0.890411
252 C2R 0.456522 0.878378
253 KAA 0.454545 0.752809
254 GSU 0.454545 0.77907
255 AF3 ADP 3PG 0.453782 0.8375
256 S4M 0.453608 0.666667
257 NAE 0.453125 0.92
258 NO7 0.45283 0.906667
259 K3K 0.451327 0.802632
260 9K8 0.45045 0.733333
261 NAD IBO 0.45 0.944444
262 NAD TDB 0.45 0.944444
263 NAQ 0.449612 0.896104
264 AIR 0.449438 0.901408
265 DZD 0.448 0.884615
266 D5M 0.447917 0.878378
267 DA 0.447917 0.878378
268 P1H 0.447761 0.851852
269 NDE 0.447761 0.958904
270 AV2 0.447619 0.891892
271 B1U 0.447368 0.755556
272 YSA 0.447368 0.8
273 NIA 0.446809 0.822785
274 O02 0.446602 0.896104
275 N0B 0.446154 0.841463
276 ZID 0.446154 0.945205
277 CUU 0.445545 0.944444
278 LEU LMS 0.445455 0.730337
279 CO7 0.445255 0.784091
280 AVV 0.444444 0.871795
281 62F 0.443662 0.8625
282 3AT 0.442308 0.944444
283 WSA 0.441667 0.809524
284 NAJ PZO 0.440945 0.871795
285 A7D 0.44 0.776316
286 GJV 0.438776 0.75
287 8PZ 0.438596 0.8
288 RGT 0.438596 0.932432
289 NWW 0.438202 0.736111
290 AAT 0.438095 0.707317
291 A5D 0.436893 0.810811
292 ARU 0.436364 0.8375
293 7RP 0.43299 0.928571
294 A3G 0.43299 0.776316
295 SAH 0.432692 0.74359
296 ENP 0.432432 0.893333
297 4YB 0.432203 0.781609
298 DAT 0.431373 0.88
299 SFG 0.431373 0.75
300 V1N 0.431034 0.944444
301 NDC 0.430657 0.896104
302 NDP DTT 0.430657 0.819277
303 5AD 0.430233 0.746479
304 RMB 0.428571 0.873239
305 7RA 0.428571 0.957747
306 4TA 0.428571 0.829268
307 DTP 0.428571 0.88
308 AMP NAD 0.428571 0.931507
309 NAJ PYZ 0.427481 0.829268
310 7DD 0.425743 0.957747
311 7D7 0.425287 0.743243
312 K2R 0.424779 0.905405
313 8BR 0.424242 0.906667
314 SA8 0.423077 0.707317
315 PUA 0.423077 0.884615
316 GGZ 0.422018 0.802469
317 MHZ 0.421569 0.697674
318 6FA 0.421429 0.841463
319 FB0 0.42029 0.784091
320 SAI 0.419048 0.734177
321 K3E 0.418803 0.792208
322 GEK 0.418182 0.7375
323 SMM 0.416667 0.686047
324 S7M 0.416667 0.690476
325 FAD 0.415493 0.851852
326 SFD 0.415493 0.734043
327 FAS 0.415493 0.851852
328 ETB 0.415385 0.811765
329 DCA 0.415385 0.802326
330 7C5 0.415254 0.842105
331 SAM 0.415094 0.690476
332 FDA 0.414286 0.833333
333 JLN 0.414141 0.864865
334 FAI 0.414141 0.890411
335 7DT 0.413462 0.957747
336 KOY 0.413223 0.826667
337 A3S 0.411765 0.786667
338 EEM 0.411215 0.690476
339 Y3J 0.411111 0.726027
340 K2W 0.410256 0.740741
341 0T1 0.409091 0.802326
342 COA 0.409091 0.802326
343 TM1 0.408696 0.795181
344 101 0.408163 0.878378
345 5GP 0.407767 0.906667
346 G 0.407767 0.906667
347 A6D 0.40708 0.743902
348 649 0.406504 0.764045
349 QXP 0.405405 0.785714
350 K38 0.405172 0.779221
351 FNK 0.40411 0.804598
352 NEC 0.40404 0.723684
353 N5O 0.40404 0.74026
354 A3T 0.403846 0.797297
355 V47 0.40367 0.808219
356 8Q2 0.403226 0.772727
357 DDS 0.401869 0.853333
358 0UM 0.401786 0.698795
359 FAY 0.401361 0.8625
360 COS 0.4 0.784091
361 AMX 0.4 0.811765
362 Z5A 0.4 0.8
363 P2P 0.4 0.902778
364 CAO 0.4 0.775281
365 ANZ 0.4 0.822785
366 30N 0.4 0.734043
Similar Ligands (3D)
Ligand no: 1; Ligand: 25A; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WDY; Ligand: 25A; 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: 1wdy.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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