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Receptor
PDB id Resolution Class Description Source Keywords
4WUA 2 Å EC: 2.7.1.37 CRYSTAL STRUCTURE OF HUMAN SRPK1 COMPLEXED TO AN INHIBITOR S HOMO SAPIENS PROTEIN KINASE KINASE-INHIBITOR COMPLEX PRE-MRNA SPLICINGBINDING TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: IDENTIFICATION OF A DUAL INHIBITOR OF SRPK1 AND CK2 ATTENUATES PATHOLOGICAL ANGIOGENESIS OF MACULAR DEG IN MICE MOL.PHARMACOL. V. 88 316 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3UL A:701;
Valid;
none;
submit data
349.35 C18 H18 F3 N3 O c1cc(...
CIT A:702;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MY8 1.7 Å EC: 2.7.1.37 CRYSTAL STRUCTURE OF SRPK1 IN COMPLEX WITH SPHINX31 HOMO SAPIENS TRANSFERASE SPLICING KINASE INHIBITOR STRUCTURAL GENOMICSSTRUCTURAL GENOMICS CONSORTIUM SGC
Ref.: DEVELOPMENT OF POTENT, SELECTIVE SRPK1 INHIBITORS A POTENTIAL TOPICAL THERAPEUTICS FOR NEOVASCULAR EYE ACS CHEM. BIOL. V. 12 825 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 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 ic50 = 6 nM RXZ C27 H24 F3 N5 O2 c1ccnc(c1)....
5 4WUA - 3UL C18 H18 F3 N3 O c1cc(c(cc1....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 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 ic50 = 6 nM RXZ C27 H24 F3 N5 O2 c1ccnc(c1)....
5 4WUA - 3UL C18 H18 F3 N3 O c1cc(c(cc1....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 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 ic50 = 6 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
Ligand no: 1; Ligand: 3UL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 3UL 1 1
2 RXZ 0.453608 0.824561
3 W4A 0.439024 0.754098
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MY8; Ligand: RXZ; Similar sites found with APoc: 516
This union binding pocket(no: 1) in the query (biounit: 5my8.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2RIF AMP None
2 2OVD DAO None
3 3SJK LYS PRO VAL LEU ARG THR ALA 1.05263
4 4AVB CMP 1.2012
5 2QK4 ATP 1.30548
6 3ZJX BOG 1.38408
7 4PZ6 GMP 1.56658
8 2Z49 AMG 1.56658
9 2Z48 A2G 1.56658
10 5GZ9 ANP 1.63934
11 4GLW 0XT 1.63934
12 5COU ATP 1.76471
13 5OES ADP 1.82768
14 3WVR AMP 1.82768
15 2IO8 ADP 1.82768
16 1GPM CIT 1.82768
17 2VQD AP2 1.82768
18 1Z03 OCH 1.82768
19 5ZCT ANP 1.96078
20 4EHQ GBL 2.02703
21 1E4E ADP 2.04082
22 2AQX ATP 2.07612
23 4GYI ADP 2.08877
24 3K5I ADP 2.08877
25 3VSV XYS 2.08877
26 5OC1 ANN 2.08877
27 4MOB ADP 2.10843
28 1PK8 ATP 2.1327
29 4LH7 1X8 2.16718
30 3PN1 IVH 2.20126
31 4CC6 L5Y 2.20126
32 5NM7 GLY 2.25564
33 5C1P ADP 2.28758
34 5YK1 ANP 2.34987
35 5IM3 DTP 2.34987
36 5DXT 5H5 2.34987
37 2YW2 ATP 2.34987
38 4UWH JXM 2.34987
39 3V4S ATP 2.34987
40 4CCK OGA 2.34987
41 3DNT ATP 2.34987
42 5BRP PNG 2.34987
43 4CCN OGA 2.34987
44 4FE2 AIR 2.35294
45 4FE2 ADP 2.35294
46 2FB3 MET 2.35294
47 5O0X FAD 2.4055
48 1Q11 TYE 2.41935
49 5D9G GLU ASN LEU TYR PHE GLN 2.43902
50 2XZ9 PYR 2.46914
51 3VPD ANP 2.4911
52 1NBU PH2 2.52101
53 1AUX AGS 2.57235
54 4R78 AMP 2.589
55 4RDL FUC GAL NDG FUC 2.5974
56 5VZ0 ADP 2.61097
57 1F52 ADP 2.61097
58 6GNF GLC 2.61097
59 1OJK GLC BGC 2.61097
60 1OBD ATP 2.61438
61 3BP1 GUN 2.75862
62 5HV0 AKG 2.76498
63 1I06 TZL 2.77778
64 1H8S AIC 2.77778
65 3VPB ADP 2.83688
66 3VPC ADP 2.83688
67 3ZZL TRP 2.85714
68 6EZ6 C5Z 2.87206
69 6F6D AKG 2.87206
70 2HGS ADP 2.87206
71 4OCJ NDG 2.90237
72 6CGD GNP 2.95082
73 6CGD AKN 2.95082
74 6DW2 HD4 2.95359
75 4XJ7 ADE 2.99625
76 4B1L FRU 3.0303
77 2PYW ADP 3.13316
78 5TT6 ATP 3.13316
79 4R8L ASP 3.13316
80 3BOF HCS 3.13316
81 1JBU BEN 3.14961
82 3OF1 CMP 3.25203
83 3X01 AMP 3.30789
84 4P25 FUC GAL NAG FUC 3.31126
85 1V6A TRE 3.31325
86 3T4L ZEA 3.33333
87 3WG3 A2G GAL NAG FUC 3.37079
88 4NFE BEN 3.37553
89 5DZT AMP 3.39426
90 5AHN IMP 3.39426
91 1Q8A HCS 3.39426
92 2V58 LZJ 3.39426
93 3ZDS OMD 3.39426
94 3ZW2 NAG GAL FUC 3.44828
95 2Q7D ANP 3.46821
96 3LQV ADE 3.47826
97 1TQP ATP 3.5461
98 4LRJ ANP 3.5503
99 5JIB OIA 3.56083
100 2IF8 ADP 3.58127
101 5FCF GLY GLY GLY 3.65535
102 5N49 8LW 3.7037
103 1MJT ITU 3.7464
104 5T96 79J 3.80117
105 4XZ3 ACP 3.87931
106 4XYM A12 3.87931
107 1I7L ATP 3.8835
108 5MW8 ATP 3.91645
109 1O6U PLM 3.91645
110 4OCV ANP 3.95778
111 5IH1 GDP 3.97351
112 3ORQ ADP 3.97878
113 2VQ5 HBA 3.9801
114 5A96 GTP 4.01606
115 3PAK MAN 4.05405
116 3BU1 HSM 4.05405
117 1GSA ADP 4.11392
118 3I0O ADP 4.12979
119 6E8I PTR 4.14201
120 2BKK ADP 4.14201
121 1KHT AMP 4.16667
122 5LXT ACP 4.1958
123 4OUC 5ID 4.20168
124 6G34 5ID 4.20168
125 1YNS HPO 4.21456
126 4CYI ATP 4.43864
127 4RF7 ARG 4.43864
128 4NS0 PIO 4.51128
129 5EXK 5AD 4.53172
130 2YRX AMP 4.69974
131 2Z3U CRR 4.69974
132 6C1S EFV 4.69974
133 4NZN ANP 4.84848
134 4NZN 2OU 4.84848
135 1Y7I SAL 4.85075
136 4CLI 5P8 4.89297
137 3TDV GDP 4.90196
138 2AGC DAO 4.93827
139 4OAV ACP 4.96084
140 2BMB PMM 4.96084
141 5OLK DTP 4.96084
142 3AB4 THR 4.96084
143 4QM9 CYS 5.20231
144 4ZS4 ATP 5.21173
145 4AZW ATP 5.22193
146 3TY5 ATP 5.22193
147 3TY5 ADP 5.22193
148 4WOE 3S5 5.22193
149 2OVW CBI 5.22193
150 3AKK ADP 5.23077
151 4P5Z Q7M 5.26316
152 3KRL KRL 5.37313
153 1HFE CYS 5.48303
154 3E7S AT2 5.48303
155 4KVL PLM 5.48303
156 2OMN IPH 5.52995
157 3VHE 42Q 5.57103
158 3HAV ATP 5.68562
159 1DZK PRZ 5.73248
160 5N1X 8HH 5.78512
161 3PDT ADP 5.81818
162 4E93 GUI 5.83554
163 5AVF TAU 5.83658
164 5NKB 8ZT 5.88235
165 4H4D 10E 5.88235
166 5C4L 4XR 5.919
167 5C4L SIS 5.919
168 3Q60 ATP 5.92992
169 3KP6 SAL 5.96026
170 5T63 ALA ALA ALA ALA 5.99455
171 3GNI ATP 6.00522
172 1S68 AMP 6.0241
173 5DMZ ADP 6.0274
174 2QL9 CIT 6.18557
175 1VJY 460 6.27063
176 5C8W PCG 6.29371
177 4OH4 ANP 6.30631
178 5LPZ ADP 6.3253
179 4AG8 AXI 6.32911
180 4A91 GLU 6.37584
181 3PH4 AOS 6.50888
182 4PU5 ANP 6.52742
183 4U98 ACP 6.52742
184 1NXJ TLA 6.55738
185 4N70 2HX 6.70732
186 3RI1 3RH 6.70927
187 3KMT SAH 6.72269
188 3UIM ANP 6.74847
189 6FL8 ADP 6.78851
190 6FL8 TIY 6.78851
191 3UDZ ADP 6.78851
192 5I35 ANP 6.78851
193 5CKW ANP 6.78851
194 5E58 CPZ 6.78851
195 1CEB AMH 6.81818
196 5HES 032 6.84039
197 4O4F ATP 6.85484
198 3BJE URA 6.87679
199 4Q5H ANP 6.89655
200 1EHI ADP 6.89655
201 3RE4 TO1 6.97674
202 3CY2 MB9 7.00637
203 1OS7 AKG 7.06714
204 3ZPG 5GP 7.06806
205 5LPB ADP 7.09459
206 3TII ANP 7.10526
207 4CQE CQE 7.19424
208 2OO8 RAJ 7.25552
209 5QIN J2V 7.27848
210 3NZ1 3NY 7.27969
211 4DFU QUE 7.31071
212 5W75 SUC 7.31071
213 3GQI ACP 7.36196
214 3HEE R5P 7.38255
215 3BPX SAL 7.43243
216 1EXF GLY 7.43802
217 1P6O HPY 7.45342
218 5TV6 PML 7.5
219 2VPQ ANP 7.5718
220 5H9P TD2 7.59494
221 1OIJ AKG 7.6412
222 5UR1 YY9 7.71704
223 3TKI S25 7.73994
224 3SRV S19 7.94224
225 4IX4 ADP 8
226 4WW7 AMP 8.04598
227 4F4P 0SB 8.05861
228 2QX0 PH2 8.1761
229 5VC5 96M 8.3045
230 2PUL ACP 8.35509
231 1OGX EQU 8.39695
232 4EUU BX7 8.46395
233 2I74 MAN MAN MAN MAN 8.46561
234 4UYE 9F9 8.47458
235 4O1P ANP 8.61619
236 6AC9 ANP 8.64865
237 2W5P CL8 8.72483
238 1CBK ROI 8.75
239 5MRH Q9Z 8.87729
240 2GTF P1R 8.88889
241 4K33 ACP 8.92308
242 1XJD STU 8.98551
243 1W2D ADP 9.0566
244 3AQV TAK 9.05797
245 5C03 AGS 9.06433
246 3KMW ATP 9.30233
247 4UXL 5P8 9.31677
248 5JKG 6LF 9.32476
249 4YZC STU 9.39948
250 5M06 ADP 9.42029
251 2ET1 GLV 9.45274
252 4CS9 AMP 9.52381
253 4JNJ BTN 9.56522
254 5TO8 7FM 9.57447
255 3VOT ADP 9.66057
256 3KDM TES 9.77778
257 4WOV 3SM 9.77918
258 1TZD ADP 9.81818
259 5EQY 5RA 9.92167
260 1XX4 BAM 9.96169
261 2GQR ADP 10.1266
262 3H9R TAK 10.303
263 5MJA 7O3 10.4918
264 3NOJ PYR 10.5042
265 2GQS ADP 10.5485
266 2GQS C2R 10.5485
267 2Y6O 1N1 10.6529
268 1M0W ANP 10.705
269 1OPK P16 10.705
270 3ETH ATP 10.705
271 5TDF ADP 10.705
272 3OCP CMP 10.7914
273 3QRC SCR 10.828
274 1ZTH ADP 10.8527
275 1ZP9 ATP 10.8527
276 2D5X L35 10.9589
277 5JFS 6K0 11.039
278 2X2M X2M 11.1465
279 3SAO NKN 11.25
280 4ZGP ADP 11.2628
281 6GIN IR2 11.2957
282 4FL3 ANP 11.3386
283 3PVW QRX 11.4883
284 5UKL SIX 11.4883
285 4I94 ANP 11.6667
286 4PNI KQQ 11.7647
287 3EW2 BTN 11.8519
288 3FHR P4O 11.9048
289 2XVD AS6 11.9205
290 4RW3 DKA 11.9205
291 2A19 ANP 11.9718
292 4XV1 904 11.9863
293 1SWG BTN 12.5
294 4A4X JUP 12.5448
295 3CF6 SP1 12.5749
296 2QLU ADE 12.7389
297 3M2W L8I 13.0435
298 1ONI BEZ 13.0435
299 4L9I 8PR 13.0952
300 5USZ SKE 13.4948
301 4XMF HSM 14.1304
302 5KO1 6UY 14.1343
303 3UEC ALA ARG TPO LYS 14.3836
304 3MMH SME 14.9701
305 4IDT T28 15.7303
306 5T8O 76Z 15.7593
307 4WNK 453 16.188
308 5CEO 50D 16.3333
309 3VRY B43 16.4491
310 6GQM F8H 16.7683
311 2R5T ANP 16.8901
312 2HY0 306 17.2324
313 3E8N VRA 17.3021
314 3E8N ATP 17.3021
315 3ALN ANP 17.4312
316 4UAL 3FV 17.4935
317 3TXO 07U 17.5637
318 5DBX ANP 17.6829
319 1Y57 MPZ 17.7546
320 2H8H H8H 17.7546
321 4XH0 ADP 17.7546
322 4Y85 499 17.7711
323 4U0I 0LI 18.0952
324 3V8S 0HD 18.2768
325 4G31 0WH 18.3946
326 6GZD LCI 18.4492
327 6ES0 BW8 18.612
328 1WAP TRP 18.6667
329 1QAW TRP 18.9189
330 3MVH WFE 19.0058
331 1JPA ANP 19.2308
332 2JDR L20 19.2982
333 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 19.2982
334 4OTH DRN 19.3548
335 5IH9 6BF 19.403
336 1U5R ATP 19.5402
337 3LXK MI1 19.5719
338 2YAB AMP 19.6676
339 4G17 0VN 19.697
340 3PLS ANP 19.7987
341 4BTK DTQ 19.8813
342 5U6C 7YS 20
343 4BFM ANP 20.0599
344 2PZI AXX 20.1044
345 5UIU 8CG 20.1238
346 2CSN CKI 20.5387
347 2BOS GLA GAL 20.5882
348 5K2M ADP 20.7547
349 5WNL STU 20.7602
350 6GWR FEW 20.9524
351 3HMO STU 21.0526
352 4YMJ 4EJ 21.0526
353 4U44 3D9 21.3855
354 3ZZS TRP 21.5385
355 3PP0 03Q 21.5976
356 4E1Z 0MX 21.6495
357 4NFN 2KC 21.6828
358 4M69 ANP 21.7252
359 3NW7 LGV 21.8241
360 4L3L 5FI 22.0395
361 5N87 N66 22.0447
362 5W4W 9WG 22.0544
363 4KBA 1QM 22.0544
364 4Y0X ADP 22.1333
365 6BFN DL1 22.2222
366 5HVJ ANP 22.2222
367 4YZN 4K5 22.2997
368 5AX9 4KT 22.4026
369 1K3A ACP 22.408
370 4C2V YJA 22.4561
371 5HCY 60D 22.6586
372 3BZ3 YAM 22.8261
373 5WO4 B7V 22.8477
374 4C2W ANP 22.9391
375 4Y8D 49J 22.9412
376 6CMJ F6J 23.053
377 4EWH T77 23.2727
378 2HK5 1BM 23.3333
379 4USF 6UI 23.3553
380 3G5D 1N1 23.4266
381 5EYK 5U5 23.5507
382 3SXS PP2 23.8806
383 1U59 STU 24.0418
384 3EKK GS2 24.1042
385 6C7Y ADP 24.1259
386 3BU5 ATP 24.183
387 2OFV 242 24.1877
388 5OKT 9XK 24.2038
389 3LXN MI1 24.2138
390 5VCV 1N1 24.282
391 3C1X CKK 24.282
392 6F3G CJN 24.7458
393 2ZV2 609 24.8322
394 4GJ3 0XP 25.1656
395 4WB7 ATP 25.3264
396 5A6N U7E 25.4417
397 5ODT ADP 25.7951
398 5EH0 5NW 25.969
399 5TA6 79D 26.5363
400 4JR7 GNP 26.738
401 5FBN 5WF 26.9373
402 5H2U 1N1 26.9663
403 1BYG STU 26.9784
404 5Y80 IRE 27.027
405 6CZ3 FLJ 27.2727
406 4CSV STI 27.2727
407 2QCS ANP 27.7143
408 3FHI ANP 27.7143
409 1RE8 BD2 27.7143
410 3IDB ANP 27.7143
411 4WB6 ATP 28
412 3FC2 IBI 28.3582
413 4KS7 X4Z 28.7671
414 2GU8 796 28.7834
415 5EOB 5QQ 28.8401
416 4Y93 746 29.2428
417 2JLD AG1 29.5039
418 4DC2 ADE 29.5039
419 4NM5 ADP 29.9735
420 3KN5 ANP 30.1538
421 1PHK ATP 30.2013
422 5LVP ATP 30.2251
423 5LI1 ANP 30.226
424 5DH3 5BS 30.4762
425 2Z7R STU 30.5296
426 6BXI ANP 30.6306
427 4NW6 2NS 30.9598
428 4BHN BH9 31.4371
429 3RWP ABQ 31.8328
430 5LI9 ACP 32
431 3F7Z 34O 32.2857
432 6C0T EE4 32.5648
433 2WQN ADP 32.9032
434 4X7Q 3YR 33.0128
435 1IR3 ANP 33.3333
436 4QXB OGA 33.3333
437 4QMN DB8 33.871
438 6CQF F97 34.0067
439 4AT3 LTI 34.4482
440 3DLS ADP 34.6269
441 3ORK AGS 34.7267
442 3SLS ANP 34.8684
443 3GGF GVD 34.8837
444 3IGO ANP 35.5091
445 6E2O S0L 35.5932
446 2RIO ADP 35.7702
447 4TWP AXI 35.7934
448 2B9I ADP 36.5439
449 3HZT J60 36.5535
450 5UPK ANP 36.7052
451 5DRB 5FJ 37.1134
452 2BPM 529 37.5405
453 4CFU 2WC 37.9538
454 4RFM 3P6 37.9699
455 4I6H 1C8 37.987
456 5JZJ AN2 38.0471
457 6GUE FB8 38.0795
458 4BCQ TJF 38.206
459 4BCM T7Z 38.206
460 5L8L ADP 38.2456
461 5G1X ADP 38.2456
462 4BCN T9N 38.3333
463 2V7O DRN 38.3929
464 4QTB 38Z 38.4211
465 3C0G 3AM 38.4615
466 5LXM ADP 38.5159
467 5LMK 6ZK 38.7205
468 4ONA UW1 38.9034
469 4CRL C1I 38.9163
470 2XMY CDK 38.9262
471 4F9C 0SX 39.0582
472 5BVE 4VG 39.0582
473 4H3P ANP 39.2265
474 2WEL K88 39.7554
475 4H3Q ANP 39.779
476 1CM8 ANP 39.782
477 5EKO N17 39.8922
478 2PVF ACP 40
479 5EW9 5VC 40.2214
480 3ZRM ZRM 40.625
481 3E5A VX6 40.6716
482 2XK9 XK9 40.6832
483 4WHZ 3NL 40.7311
484 3TTI KBI 40.7311
485 4WNP 3RJ 41.115
486 5AWM ANP 41.2533
487 3E7O 35F 41.3889
488 2PVN P63 41.4773
489 5OMY 9YE 41.7755
490 1OUK 084 41.8033
491 4LOO SB4 42.1053
492 2VZ6 FEF 42.1725
493 3GC8 B45 42.4324
494 5EFQ ADP 42.6513
495 4NST ADP 42.735
496 3PTG 932 42.9752
497 2VN9 GVD 43.1894
498 5XVG 8FX 43.3447
499 4UX9 ANP 43.4066
500 4FG8 ATP 44.7619
501 5YF9 NIO 44.8378
502 5Y86 HRM 45.4308
503 2YAK OSV 46.6667
504 5ZTN CUR 46.7363
505 2WEI VGG 47.0383
506 5DEY 59T 47.138
507 4IJP 1EH 47.2067
508 3DAK ANP 47.2414
509 3PE2 E1B 47.4777
510 2J7T 274 48.0132
511 2WU6 DKI 48.0315
512 3GC0 AMP 48.3283
513 6A1G 9OL 48.6111
514 6GU6 1QK 49.0066
515 5HQ0 LZ9 49.0066
516 6FYL 3NG 49.3113
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