Receptor
PDB id Resolution Class Description Source Keywords
6M12 2.4 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF RNASE L IN COMPLEX WITH SU11652 SUS SCROFA INHIBITOR COMPLEX RNASE L SU11652 HYDROLASE
Ref.: SUNITINIB INHIBITS RNASE L BY DESTABILIZING ITS ACT CONFORMATION. BIOCHEM.J. V. 477 3387 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
J60 B:802;
A:801;
 Valid;
Valid;
 none;
none;
 ic50 = 7.6 uM
414.928 C22 H27 Cl N4 O2 CCN(C...
25L B:801;
A:802;
 Valid;
Valid;
 none;
none;
 submit data
1165.59 C30 H40 N15 O25 P5 c1nc(...
PO4 A:803;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6M12 2.4 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF RNASE L IN COMPLEX WITH SU11652 SUS SCROFA INHIBITOR COMPLEX RNASE L SU11652 HYDROLASE
Ref.: SUNITINIB INHIBITS RNASE L BY DESTABILIZING ITS ACT CONFORMATION. BIOCHEM.J. V. 477 3387 2020
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 4O1P - 25L C30 H40 N15 O25 P5 c1nc(c2c(n....
2 6M11 ic50 = 33 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
3 6M12 ic50 = 7.6 uM J60 C22 H27 Cl N4 O2 CCN(CC)CCN....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 4OAV - PO4 PO4 A A A A PO4 n/a n/a
2 4O1P - 25L C30 H40 N15 O25 P5 c1nc(c2c(n....
3 6M11 ic50 = 33 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
4 6M12 ic50 = 7.6 uM J60 C22 H27 Cl N4 O2 CCN(CC)CCN....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 4OAV - PO4 PO4 A A A A PO4 n/a n/a
2 4O1P - 25L C30 H40 N15 O25 P5 c1nc(c2c(n....
3 6M11 ic50 = 33 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
4 6M12 ic50 = 7.6 uM J60 C22 H27 Cl N4 O2 CCN(CC)CCN....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: J60; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 J60 1 1
2 B49 0.752809 0.967742
3 5Z5 0.690476 0.709677
4 274 0.4 0.606742
Ligand no: 2; Ligand: 25L; Similar ligands found: 350
No: Ligand ECFP6 Tc MDL keys Tc
1 25L 1 1
2 25A 0.862069 0.985915
3 ATP 0.809524 0.985915
4 HEJ 0.809524 0.985915
5 A22 0.808989 1
6 5FA 0.8 0.985915
7 AQP 0.8 0.985915
8 AP5 0.752941 0.985915
9 B4P 0.752941 0.985915
10 BA3 0.741176 0.985915
11 ADP 0.732558 0.985915
12 AGS 0.730337 0.933333
13 A2D 0.717647 0.985915
14 ATR 0.711111 0.957747
15 6YZ 0.691489 0.958904
16 AN2 0.685393 0.972222
17 A2R 0.666667 0.972222
18 AT4 0.666667 0.945946
19 APR 0.663043 0.958333
20 AR6 0.663043 0.958333
21 T99 0.659574 0.945946
22 TAT 0.659574 0.945946
23 ACQ 0.659574 0.958904
24 M33 0.659341 0.945205
25 AD9 0.655914 0.958904
26 ACP 0.652174 0.958904
27 HQG 0.649485 0.972222
28 ADQ 0.646465 0.958904
29 AMP 0.643678 0.957747
30 A 0.643678 0.957747
31 ANP 0.642105 0.958904
32 NA7 0.633663 0.945946
33 A2P 0.626374 0.943662
34 CA0 0.623656 0.932432
35 ITT 0.623656 0.930556
36 ADX 0.623656 0.8625
37 9X8 0.617647 0.907895
38 OAD 0.617647 0.932432
39 KG4 0.617021 0.932432
40 50T 0.617021 0.945205
41 A3R 0.613861 0.896104
42 ATF 0.612245 0.945946
43 APC 0.610526 0.945946
44 PRX 0.610526 0.881579
45 7D4 0.606383 0.893333
46 ABM 0.604396 0.905405
47 45A 0.604396 0.905405
48 KMQ 0.603774 0.92
49 AMP MG 0.6 0.916667
50 SRA 0.6 0.906667
51 A1R 0.598039 0.896104
52 UPA 0.59292 0.921053
53 JNT 0.592233 0.932432
54 A12 0.591398 0.945946
55 AP2 0.591398 0.945946
56 BIS 0.590476 0.921053
57 3OD 0.590476 0.932432
58 5AL 0.585859 0.918919
59 8LE 0.585859 0.883117
60 G5P 0.581818 0.934211
61 HFD 0.581633 0.933333
62 JSQ 0.581633 0.933333
63 ADP MG 0.578947 0.930556
64 ADP BEF 0.578947 0.930556
65 UP5 0.575221 0.933333
66 8LH 0.574257 0.894737
67 SRP 0.574257 0.894737
68 AU1 0.572917 0.958904
69 OZV 0.572816 0.958333
70 5SV 0.572816 0.8375
71 G3A 0.572727 0.934211
72 PAP 0.571429 0.971831
73 APC MG 0.571429 0.905405
74 4AD 0.567308 0.907895
75 PAJ 0.567308 0.873418
76 QA7 0.563107 0.883117
77 8LQ 0.563107 0.894737
78 GTA 0.5625 0.898734
79 00A 0.561905 0.896104
80 2A5 0.561224 0.906667
81 PTJ 0.560748 0.884615
82 OOB 0.557692 0.945205
83 8QN 0.557692 0.918919
84 OMR 0.556522 0.841463
85 ATP MG 0.555556 0.930556
86 RBY 0.555556 0.92
87 ADV 0.555556 0.92
88 ADP PO3 0.555556 0.930556
89 NJP 0.554622 0.959459
90 AFH 0.553571 0.897436
91 AMO 0.552381 0.92
92 AP0 0.551724 0.909091
93 NDP 0.550847 0.934211
94 NPW 0.550847 0.898734
95 BEF ADP 0.55 0.905405
96 2AM 0.549451 0.930556
97 VO4 ADP 0.54902 0.932432
98 MAP 0.548077 0.933333
99 NAX 0.547826 0.886076
100 NAI 0.547826 0.921053
101 DLL 0.54717 0.945205
102 AHX 0.54717 0.884615
103 A4P 0.547009 0.855422
104 1ZZ 0.546296 0.829268
105 FYA 0.546296 0.918919
106 NZQ 0.546219 0.922078
107 TXP 0.546219 0.934211
108 3AT 0.544554 0.958333
109 3UK 0.542056 0.932432
110 ADP BMA 0.542056 0.932432
111 ODP 0.541667 0.922078
112 AR6 AR6 0.539823 0.931507
113 V2G 0.539216 0.884615
114 T5A 0.537815 0.853659
115 LMS 0.537634 0.817073
116 WAQ 0.537037 0.871795
117 LAD 0.537037 0.85
118 B5V 0.537037 0.92
119 PR8 0.537037 0.839506
120 DQV 0.535088 0.972222
121 6V0 0.534483 0.909091
122 TXD 0.534483 0.921053
123 ALF ADP 0.533981 0.858974
124 ANP MG 0.533981 0.918919
125 NB8 0.53211 0.884615
126 TXA 0.53211 0.92
127 ME8 0.53211 0.829268
128 OVE 0.531915 0.893333
129 7D3 0.53125 0.893333
130 SON 0.530612 0.92
131 TXE 0.529915 0.921053
132 DTP 0.529412 0.893333
133 V3L 0.529412 0.958333
134 GAP 0.529412 0.881579
135 PO4 PO4 A A A A PO4 0.527778 0.916667
136 48N 0.525862 0.884615
137 139 0.525 0.886076
138 XNP 0.52459 0.886076
139 RAB 0.523256 0.833333
140 XYA 0.523256 0.833333
141 ADN 0.523256 0.833333
142 9SN 0.522523 0.884615
143 DND 0.521368 0.945946
144 DAL AMP 0.518868 0.893333
145 B5M 0.517857 0.907895
146 B5Y 0.517857 0.907895
147 FA5 0.517857 0.92
148 38V 0.515625 0.898734
149 7DT 0.514852 0.971831
150 9ZD 0.514019 0.896104
151 9ZA 0.514019 0.896104
152 XAH 0.513274 0.829268
153 4TC 0.512605 0.909091
154 L3W 0.512605 0.92
155 ADJ 0.512397 0.864198
156 COD 0.512195 0.802326
157 1DG 0.511628 0.934211
158 DG1 0.511628 0.934211
159 A3P 0.510204 0.957747
160 4UV 0.508772 0.907895
161 CNA 0.508197 0.945946
162 5AS 0.50505 0.770115
163 ATP A 0.504425 0.944444
164 ATP A A A 0.504425 0.944444
165 LAQ 0.504274 0.829268
166 TYM 0.504202 0.92
167 80F 0.504 0.853659
168 GA7 0.5 0.92
169 4UU 0.5 0.907895
170 DDS 0.5 0.866667
171 4UW 0.495798 0.873418
172 PPS 0.495238 0.8625
173 6AD 0.495238 0.897436
174 AOC 0.494845 0.810811
175 3AM 0.494737 0.916667
176 NAP 0.492308 0.958904
177 9BG 0.491935 0.909091
178 F2R 0.491935 0.853659
179 RGT 0.491228 0.945946
180 JB6 0.491071 0.896104
181 TAP 0.48855 0.921053
182 YLP 0.487395 0.809524
183 LQJ 0.486957 0.931507
184 MYR AMP 0.486726 0.807229
185 NA0 0.484848 0.945946
186 7L1 0.484848 0.786517
187 NO7 0.481481 0.92
188 5N5 0.477778 0.808219
189 AV2 0.476636 0.905405
190 NAD 0.47619 0.945205
191 0WD 0.47619 0.934211
192 G5A 0.47619 0.770115
193 NMN AMP PO4 0.47619 0.883117
194 CUU 0.475728 0.958333
195 YLC 0.47541 0.829268
196 YLB 0.47541 0.809524
197 7MD 0.474576 0.851852
198 ARG AMP 0.474576 0.819277
199 EAD 0.473684 0.886076
200 7D5 0.473684 0.866667
201 A4D 0.472527 0.808219
202 5CD 0.472527 0.794521
203 SSA 0.472222 0.790698
204 128 0.471074 0.788235
205 A3D 0.46875 0.932432
206 IOT 0.467742 0.821429
207 AHZ 0.466667 0.807229
208 GPG 0.464912 0.922078
209 BTX 0.464567 0.831325
210 YLA 0.464 0.809524
211 TSB 0.463636 0.809524
212 A5A 0.462963 0.797619
213 H1Q 0.461538 0.891892
214 DAT 0.461538 0.893333
215 AYB 0.460317 0.8
216 P1H 0.459854 0.864198
217 APU 0.459677 0.907895
218 AVV 0.459459 0.884615
219 GTP 0.458716 0.907895
220 TAD 0.458333 0.873418
221 AMP DBH 0.457627 0.906667
222 EP4 0.457447 0.74359
223 CO7 0.457143 0.795455
224 7DD 0.456311 0.971831
225 NSS 0.455357 0.790698
226 ALF ADP 3PG 0.455285 0.82716
227 62F 0.455172 0.875
228 NAE 0.454545 0.907895
229 VMS 0.454545 0.77907
230 52H 0.454545 0.770115
231 54H 0.454545 0.77907
232 D4F 0.454545 0.851852
233 N01 0.453846 0.918919
234 3DH 0.453608 0.763158
235 M2T 0.452632 0.725
236 DTA 0.452632 0.8
237 7MC 0.451613 0.831325
238 NVA LMS 0.451327 0.744444
239 NAQ 0.451128 0.884615
240 LPA AMP 0.45082 0.807229
241 8X1 0.45045 0.744444
242 53H 0.45045 0.770115
243 5CA 0.45045 0.790698
244 BT5 0.449612 0.821429
245 HDV 0.449541 0.881579
246 MTA 0.447917 0.763158
247 ZID 0.447761 0.932432
248 5X8 0.447619 0.753247
249 ENP 0.447368 0.906667
250 IMO 0.445545 0.916667
251 CZF 0.444444 0.918919
252 6FA 0.443662 0.853659
253 AF3 ADP 3PG 0.443548 0.82716
254 P5A 0.443478 0.736264
255 FB0 0.442857 0.795455
256 NAJ PZO 0.442748 0.860759
257 LSS 0.442478 0.752809
258 DSZ 0.442478 0.790698
259 6MZ 0.441176 0.917808
260 QBQ 0.440367 0.894737
261 NAD TDB 0.44 0.931507
262 NAD IBO 0.44 0.931507
263 6RE 0.44 0.75
264 NDE 0.438849 0.945946
265 ARU 0.438596 0.85
266 DZD 0.438462 0.897436
267 FAS 0.4375 0.864198
268 FAD 0.4375 0.864198
269 N0B 0.437037 0.831325
270 MAO 0.436893 0.75
271 YLY 0.43609 0.8
272 M24 0.43609 0.8625
273 6C6 0.435185 0.87013
274 LEU LMS 0.434783 0.722222
275 NDP DTT 0.432624 0.831325
276 NDC 0.432624 0.884615
277 A3N 0.431373 0.776316
278 J7C 0.431373 0.759494
279 GSU 0.431034 0.770115
280 KAA 0.431034 0.744444
281 ZAS 0.43 0.75641
282 NAJ PYZ 0.42963 0.819277
283 ETB 0.428571 0.823529
284 DCA 0.428571 0.813953
285 K3K 0.428571 0.815789
286 SFD 0.427586 0.744681
287 9K8 0.42735 0.725275
288 S4M 0.427184 0.659091
289 FDA 0.426573 0.845238
290 N6P 0.426087 0.929577
291 B1U 0.425 0.747253
292 YSA 0.425 0.790698
293 2SA 0.423423 0.92
294 MGP 0.423423 0.873418
295 FAY 0.422819 0.875
296 COA 0.422222 0.813953
297 0T1 0.422222 0.813953
298 O02 0.422018 0.909091
299 DSH 0.421569 0.716049
300 WSA 0.420635 0.8
301 RFL 0.42 0.833333
302 AMP NAD 0.419847 0.918919
303 4TA 0.419847 0.819277
304 6G0 0.419643 0.873418
305 J4G 0.418803 0.907895
306 8PZ 0.416667 0.811765
307 PUA 0.414815 0.897436
308 GJV 0.413462 0.740741
309 COS 0.413043 0.795455
310 CAO 0.413043 0.786517
311 AMX 0.413043 0.823529
312 30N 0.413043 0.744681
313 ZDA 0.412844 0.853333
314 GSP 0.412281 0.8625
315 3KK 0.411348 0.795455
316 4YB 0.41129 0.772727
317 PGS 0.411215 0.871795
318 NWW 0.410526 0.75
319 CMX 0.410072 0.813953
320 SCO 0.410072 0.813953
321 V1N 0.409836 0.931507
322 71V 0.409524 0.896104
323 9JJ 0.409091 0.875
324 GP3 0.409091 0.934211
325 GEK 0.408696 0.728395
326 CA6 0.408451 0.721649
327 OXK 0.408451 0.795455
328 12D 0.408 0.797619
329 A3G 0.407767 0.789474
330 NEC 0.407767 0.736842
331 SFG 0.407407 0.74026
332 FCX 0.407143 0.786517
333 ACO 0.407143 0.786517
334 FAM 0.407143 0.795455
335 MGO 0.40708 0.85
336 FNK 0.406667 0.816092
337 GDP 0.405405 0.907895
338 6IA 0.405405 0.82716
339 PRT 0.404959 0.918919
340 HAX 0.404255 0.795455
341 2MC 0.402778 0.76087
342 5AD 0.402174 0.736111
343 A7D 0.401869 0.766234
344 AAT 0.401786 0.698795
345 FYN 0.401408 0.813953
346 LRM 0.40113 0.835294
347 A5D 0.4 0.8
348 GGZ 0.4 0.814815
349 SA8 0.4 0.698795
350 IVC 0.4 0.804598
Similar Ligands (3D)
Ligand no: 1; Ligand: J60; Similar ligands found: 2
No: Ligand Similarity coefficient
1 ERG 0.8592
2 CLR 0.8555
Ligand no: 2; Ligand: 25L; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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