Receptor
PDB id Resolution Class Description Source Keywords
1O5B 1.85 Å EC: 3.4.21.73 DISSECTING AND DESIGNING INHIBITOR SELECTIVITY DETERMINANTS AT THE S1 SITE USING AN ARTIFICIAL ALA190 PROTEASE (ALA190 U PA) HOMO SAPIENS ALA190 UPA S1 SITE SELECTIVITY CONSERVED WATER DISPLACEMENT HYDROGEN BOND DEFICIT TRYPSIN THROMBIN HEPSIN FACTOR VIIA BLOOD CLOTTING HYDROLASE
Ref.: DISSECTING AND DESIGNING INHIBITOR SELECTIVITY DETERMINANTS AT THE S1 SITE USING AN ARTIFICIAL ALA190 PROTEASE (ALA190 UPA) J.MOL.BIOL. V. 344 527 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT B:1;
B:2;
B:3;
Valid;
Invalid;
Invalid;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
ESI B:251;
Valid;
none;
Ki = 1.7 uM
303.143 C9 H8 I N2 S c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GJC 1.73 Å EC: 3.4.21.73 ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS HOMO SAPIENS SELECTIVITY AT S1 H2O DISPLACEMENT UPA TPA SER190/ALA190PROTEASE STRUCTURE-BASED DRUG DESIGN BLOOD CLOTTING HYDR
Ref.: ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS. CHEM.BIOL. V. 8 1107 2001
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1GI9 Ki = 1.1 uM 123 C15 H15 N4 O2 COc1ccc(c(....
2 1O5A Ki = 0.38 uM 696 C21 H17 N3 O c1ccc(cc1)....
3 1GJA Ki = 3.8 uM 135 C14 H13 N3 O2 [H]/N=C(c1....
4 1C5X Ki = 0.21 uM ESI C9 H8 I N2 S c1cc2c(cc(....
5 1GJB Ki = 0.45 uM 130 C20 H16 N4 O [H]/N=C(c1....
6 1C5Z Ki = 97 uM BAM C7 H9 N2 c1ccc(cc1)....
7 3IG6 ic50 = 0.025 uM 438 C33 H35 F2 N5 O4 CN(C)c1ccc....
8 1O3P Ki = 0.22 uM 655 C19 H20 N4 O2 c1cc(c(c(c....
9 1GJ7 Ki = 0.009 uM 132 C21 H17 Cl N3 O c1ccc(cc1)....
10 1C5W - FLC C6 H5 O7 C(C(=O)[O-....
11 1GJD Ki = 6 uM 136 C15 H13 Cl I N3 O2 [H]/N=C(c1....
12 1O5C Ki = 6 uM CR9 C21 H23 F N4 O2 C[C@H]1CCC....
13 1C5Y Ki = 63 uM ESP C8 H8 N3 S c1cc2cc(sc....
14 1GJC Ki = 0.45 uM 130 C20 H16 N4 O [H]/N=C(c1....
15 1GJ9 Ki = 0.011 uM 134 C22 H24 F N3 O2 [H]/N=C(c1....
16 1GJ8 Ki = 0.11 uM 133 C18 H19 F N4 O2 [H]/N=C(c1....
17 1O5B Ki = 1.7 uM ESI C9 H8 I N2 S c1cc2c(cc(....
18 1GI7 Ki = 31 uM 120 C13 H12 N5 O c1cc2c(cc1....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1GI9 Ki = 1.1 uM 123 C15 H15 N4 O2 COc1ccc(c(....
2 1O5A Ki = 0.38 uM 696 C21 H17 N3 O c1ccc(cc1)....
3 1GJA Ki = 3.8 uM 135 C14 H13 N3 O2 [H]/N=C(c1....
4 1C5X Ki = 0.21 uM ESI C9 H8 I N2 S c1cc2c(cc(....
5 1GJB Ki = 0.45 uM 130 C20 H16 N4 O [H]/N=C(c1....
6 1C5Z Ki = 97 uM BAM C7 H9 N2 c1ccc(cc1)....
7 3IG6 ic50 = 0.025 uM 438 C33 H35 F2 N5 O4 CN(C)c1ccc....
8 1O3P Ki = 0.22 uM 655 C19 H20 N4 O2 c1cc(c(c(c....
9 1GJ7 Ki = 0.009 uM 132 C21 H17 Cl N3 O c1ccc(cc1)....
10 1C5W - FLC C6 H5 O7 C(C(=O)[O-....
11 1GJD Ki = 6 uM 136 C15 H13 Cl I N3 O2 [H]/N=C(c1....
12 1O5C Ki = 6 uM CR9 C21 H23 F N4 O2 C[C@H]1CCC....
13 1C5Y Ki = 63 uM ESP C8 H8 N3 S c1cc2cc(sc....
14 1GJC Ki = 0.45 uM 130 C20 H16 N4 O [H]/N=C(c1....
15 1GJ9 Ki = 0.011 uM 134 C22 H24 F N3 O2 [H]/N=C(c1....
16 1GJ8 Ki = 0.11 uM 133 C18 H19 F N4 O2 [H]/N=C(c1....
17 1O5B Ki = 1.7 uM ESI C9 H8 I N2 S c1cc2c(cc(....
18 1GI7 Ki = 31 uM 120 C13 H12 N5 O c1cc2c(cc1....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GI9 Ki = 1.1 uM 123 C15 H15 N4 O2 COc1ccc(c(....
2 1O5A Ki = 0.38 uM 696 C21 H17 N3 O c1ccc(cc1)....
3 1GJA Ki = 3.8 uM 135 C14 H13 N3 O2 [H]/N=C(c1....
4 1C5X Ki = 0.21 uM ESI C9 H8 I N2 S c1cc2c(cc(....
5 1GJB Ki = 0.45 uM 130 C20 H16 N4 O [H]/N=C(c1....
6 1C5Z Ki = 97 uM BAM C7 H9 N2 c1ccc(cc1)....
7 3IG6 ic50 = 0.025 uM 438 C33 H35 F2 N5 O4 CN(C)c1ccc....
8 1O3P Ki = 0.22 uM 655 C19 H20 N4 O2 c1cc(c(c(c....
9 1GJ7 Ki = 0.009 uM 132 C21 H17 Cl N3 O c1ccc(cc1)....
10 1C5W - FLC C6 H5 O7 C(C(=O)[O-....
11 1GJD Ki = 6 uM 136 C15 H13 Cl I N3 O2 [H]/N=C(c1....
12 1O5C Ki = 6 uM CR9 C21 H23 F N4 O2 C[C@H]1CCC....
13 1C5Y Ki = 63 uM ESP C8 H8 N3 S c1cc2cc(sc....
14 1GJC Ki = 0.45 uM 130 C20 H16 N4 O [H]/N=C(c1....
15 1GJ9 Ki = 0.011 uM 134 C22 H24 F N3 O2 [H]/N=C(c1....
16 1GJ8 Ki = 0.11 uM 133 C18 H19 F N4 O2 [H]/N=C(c1....
17 1O5B Ki = 1.7 uM ESI C9 H8 I N2 S c1cc2c(cc(....
18 1GI7 Ki = 31 uM 120 C13 H12 N5 O c1cc2c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Ligand no: 2; Ligand: ESI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ESI 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CIT; Similar ligands found: 1030
No: Ligand Similarity coefficient
1 FLC 1.0000
2 PEP 1.0000
3 NTC 0.9827
4 7A2 0.9729
5 7A3 0.9710
6 TRC 0.9632
7 ICT 0.9604
8 NCD 0.9568
9 1AL 0.9557
10 TRA 0.9465
11 GLY LEU 0.9431
12 ENL 0.9421
13 P4B 0.9413
14 EKN 0.9407
15 AN0 0.9405
16 4TE 0.9372
17 NFQ 0.9367
18 GLY ASP 0.9365
19 ATH 0.9359
20 3S4 0.9303
21 0FA 0.9302
22 HCT 0.9298
23 GBN 0.9289
24 NLQ 0.9287
25 NQM 0.9280
26 XQB 0.9278
27 CAX 0.9276
28 NLG 0.9268
29 JKZ 0.9254
30 AKH 0.9252
31 MIC 0.9251
32 AOR 0.9244
33 5UK 0.9243
34 AVI 0.9237
35 5XB 0.9229
36 IPM 0.9222
37 5XR 0.9215
38 CCB 0.9212
39 PHT 0.9208
40 GJS 0.9195
41 IJZ 0.9193
42 Q6T 0.9189
43 AVJ 0.9180
44 VPR 0.9176
45 C5A 0.9170
46 OTD 0.9170
47 GM7 0.9167
48 87L 0.9166
49 2CG 0.9164
50 KAI 0.9162
51 449 0.9160
52 DII 0.9156
53 FOT 0.9156
54 256 0.9150
55 FBG 0.9150
56 J01 0.9145
57 HMQ 0.9139
58 NIG 0.9130
59 TEN 0.9130
60 NTM 0.9127
61 R9S 0.9118
62 H6B 0.9116
63 CDV 0.9112
64 PRZ 0.9112
65 8WQ 0.9110
66 2AL 0.9109
67 40F 0.9109
68 42C 0.9107
69 791 0.9106
70 HLD 0.9105
71 0GZ 0.9105
72 HJP 0.9105
73 AME 0.9104
74 0F9 0.9103
75 OIA 0.9103
76 V6F 0.9103
77 ONR 0.9101
78 ALA LEU 0.9100
79 OMD 0.9100
80 HQ9 0.9100
81 DMO 0.9096
82 CDT 0.9095
83 KTA 0.9095
84 BRR 0.9092
85 GLY PRO 0.9092
86 6CS 0.9084
87 5WY 0.9084
88 R1P 0.9081
89 MEV 0.9081
90 DG2 0.9079
91 KDF 0.9079
92 PDC 0.9079
93 M44 0.9078
94 GZ8 0.9077
95 41K 0.9076
96 ORO 0.9068
97 AIN 0.9067
98 FX1 0.9066
99 8G0 0.9065
100 SIF 0.9064
101 T2D 0.9062
102 6LW 0.9060
103 AVO 0.9059
104 5HY 0.9059
105 HJ7 0.9058
106 FF3 0.9058
107 QAS 0.9057
108 IPZ 0.9056
109 PD2 0.9055
110 PCV 0.9054
111 DOR 0.9054
112 34D 0.9052
113 4ME 0.9049
114 YQA 0.9047
115 L14 0.9045
116 G88 0.9045
117 9SE 0.9045
118 FRU 0.9044
119 GTQ 0.9042
120 C2U 0.9041
121 OAF 0.9040
122 6XI 0.9040
123 DNC 0.9040
124 DNF 0.9040
125 6NI 0.9034
126 4WK 0.9033
127 D1X 0.9032
128 0OC 0.9028
129 SF6 0.9027
130 ZZ8 0.9027
131 QAT 0.9026
132 QIC 0.9023
133 091 0.9023
134 8VN 0.9020
135 FA6 0.9020
136 5CU 0.9017
137 2ZM 0.9017
138 97T 0.9016
139 9PY 0.9016
140 1U1 0.9014
141 6NT 0.9014
142 J9Q 0.9013
143 TSA 0.9012
144 AH8 0.9008
145 ET2 0.9008
146 ANN 0.9008
147 5OB 0.9006
148 KJM 0.9005
149 GCU 0.9005
150 0HO 0.9004
151 1F1 0.9004
152 6R8 0.9002
153 2PG 0.9001
154 S2T 0.9000
155 KLW 0.8998
156 2FT 0.8997
157 BZ3 0.8997
158 N8P 0.8996
159 SHA 0.8995
160 GV9 0.8994
161 40H 0.8992
162 N7P 0.8991
163 GAF 0.8990
164 FUD 0.8989
165 5NU 0.8988
166 3NY 0.8988
167 G01 0.8987
168 LSA 0.8987
169 K2P 0.8986
170 FA3 0.8986
171 54G 0.8986
172 2HU 0.8984
173 2ZQ 0.8984
174 3AL 0.8984
175 FA1 0.8984
176 5NI 0.8983
177 KJU 0.8980
178 XX3 0.8979
179 DOB 0.8978
180 QPR 0.8978
181 GLY MET 0.8978
182 PRE 0.8977
183 4M0 0.8976
184 RAT 0.8975
185 0HN 0.8975
186 Z5P 0.8971
187 0GY 0.8971
188 FA0 0.8971
189 PNZ 0.8971
190 3A9 0.8970
191 F12 0.8970
192 OW7 0.8969
193 5FN 0.8968
194 ICO 0.8968
195 KDG 0.8966
196 DIG 0.8965
197 E5X 0.8965
198 JAW 0.8964
199 RD4 0.8964
200 GNL 0.8963
201 NSG 0.8963
202 OXC 0.8963
203 3MF 0.8962
204 60Q 0.8962
205 AQK 0.8960
206 BHA 0.8960
207 SSC 0.8959
208 ADA 0.8959
209 OEM 0.8958
210 XSP 0.8957
211 3MB 0.8957
212 7WR 0.8956
213 ES2 0.8955
214 NVU 0.8954
215 KBB 0.8954
216 QM1 0.8953
217 APG 0.8953
218 2LY 0.8952
219 5RG 0.8950
220 BGT 0.8950
221 XYH 0.8949
222 1PL 0.8947
223 8GK 0.8947
224 OVM 0.8946
225 B2Y 0.8946
226 ABI 0.8944
227 CLW 0.8944
228 URC 0.8944
229 5ZZ 0.8942
230 SF9 0.8941
231 2MN 0.8937
232 7UC 0.8936
233 9TZ 0.8936
234 AMH 0.8935
235 210 0.8935
236 TSR 0.8935
237 4P5 0.8934
238 ODO 0.8934
239 GCV 0.8933
240 VGD 0.8932
241 15N 0.8931
242 SOE 0.8928
243 2BX 0.8927
244 3S6 0.8926
245 GIO 0.8926
246 15L 0.8925
247 NDG 0.8923
248 VNL 0.8923
249 IPB 0.8923
250 PSV 0.8921
251 SDD 0.8919
252 1CO 0.8919
253 G5V 0.8919
254 8WO 0.8919
255 GTR 0.8918
256 OW4 0.8918
257 LFC 0.8917
258 N2I 0.8917
259 QBK 0.8917
260 N2Z 0.8916
261 52C 0.8916
262 5M0 0.8916
263 45L 0.8916
264 CWJ 0.8915
265 7ZE 0.8915
266 JB8 0.8914
267 SKM 0.8913
268 I3A 0.8913
269 NCT 0.8912
270 DQA 0.8910
271 SR4 0.8909
272 SC2 0.8908
273 HA7 0.8908
274 5XC 0.8907
275 LFR 0.8907
276 MMA 0.8907
277 HNQ 0.8907
278 069 0.8905
279 X1E 0.8904
280 7NI 0.8904
281 9FL 0.8904
282 RNS 0.8904
283 TIU 0.8904
284 5MK 0.8903
285 II6 0.8902
286 X09 0.8900
287 NGO 0.8899
288 5GU 0.8897
289 M75 0.8897
290 H62 0.8896
291 2M5 0.8896
292 9KH 0.8896
293 REL 0.8895
294 JDN 0.8894
295 GZQ 0.8894
296 LAO 0.8893
297 E7Z 0.8892
298 4CS 0.8892
299 GTC 0.8891
300 5RN 0.8891
301 AI2 0.8890
302 6JN 0.8889
303 GTL 0.8889
304 IAC 0.8889
305 LT8 0.8888
306 9CA 0.8888
307 AMG 0.8888
308 SOL 0.8887
309 A13 0.8887
310 IFL 0.8887
311 BDF 0.8885
312 1P8 0.8885
313 DHK 0.8885
314 HDH 0.8885
315 PFL 0.8884
316 ALA PRO 0.8882
317 AS3 0.8881
318 36R 0.8879
319 AOS 0.8879
320 B0D 0.8879
321 KMH 0.8878
322 QUS 0.8876
323 AFR 0.8875
324 H42 0.8875
325 PPK 0.8875
326 VXX 0.8875
327 PEZ 0.8874
328 M5N 0.8872
329 OHP 0.8870
330 MS9 0.8869
331 GIV 0.8869
332 03V 0.8868
333 A29 0.8868
334 JJQ 0.8867
335 MNM 0.8867
336 4FS 0.8866
337 NGT 0.8866
338 F31 0.8866
339 KDO 0.8866
340 DEW 0.8865
341 0JD 0.8864
342 4VY 0.8863
343 94W 0.8862
344 92K 0.8862
345 DBX 0.8862
346 8XQ 0.8860
347 1IT 0.8859
348 EV0 0.8859
349 3PO 0.8858
350 F9Y 0.8857
351 M74 0.8857
352 TAG 0.8855
353 4WL 0.8855
354 DCO 0.8855
355 GCO 0.8855
356 7VS 0.8855
357 M1E 0.8855
358 GC2 0.8854
359 COU 0.8854
360 NGW 0.8854
361 92P 0.8854
362 JA8 0.8854
363 C2Y 0.8853
364 6TZ 0.8853
365 BDP 0.8853
366 HA5 0.8852
367 G4D 0.8852
368 B09 0.8852
369 J9T 0.8851
370 GLA 0.8851
371 ES5 0.8850
372 5JQ 0.8850
373 GIF 0.8850
374 RNT 0.8849
375 CS2 0.8849
376 5DI 0.8848
377 SYV 0.8848
378 8VE 0.8848
379 8GL 0.8847
380 KDV 0.8847
381 293 0.8847
382 BZ2 0.8847
383 KFH 0.8847
384 8TX 0.8846
385 HDL 0.8845
386 L5V 0.8845
387 SXS 0.8845
388 IOS 0.8845
389 8ZE 0.8845
390 0CG 0.8844
391 JR2 0.8844
392 MQB 0.8843
393 787 0.8843
394 2FY 0.8842
395 1U5 0.8842
396 FBB 0.8841
397 HIS 0.8840
398 NAG 0.8839
399 NZ3 0.8839
400 JB5 0.8839
401 ASC 0.8838
402 2HG 0.8838
403 2AQ 0.8837
404 2C0 0.8837
405 CBF 0.8837
406 BK9 0.8836
407 FIX 0.8834
408 3IT 0.8834
409 GLO 0.8833
410 3R9 0.8833
411 M0W 0.8833
412 1N4 0.8832
413 TSS 0.8830
414 M4E 0.8830
415 PSJ 0.8829
416 GAL 0.8829
417 3CR 0.8828
418 4ZA 0.8828
419 27L 0.8828
420 M0Q 0.8828
421 YIO 0.8828
422 MR1 0.8827
423 6FZ 0.8827
424 1X7 0.8827
425 FOC 0.8826
426 MUC 0.8826
427 3BU 0.8825
428 BCU 0.8825
429 DZA 0.8825
430 AUD 0.8825
431 GOG 0.8825
432 2TQ 0.8825
433 61O 0.8823
434 LMR 0.8823
435 2ED 0.8822
436 DIU 0.8822
437 51R 0.8822
438 DBH 0.8821
439 8S0 0.8821
440 4HC 0.8821
441 M72 0.8820
442 2C2 0.8820
443 MLE 0.8819
444 5VM 0.8819
445 SX1 0.8819
446 MTL 0.8818
447 OCH 0.8818
448 43W 0.8818
449 KYA 0.8818
450 FHN 0.8817
451 EUG 0.8817
452 4Z4 0.8817
453 F0J 0.8817
454 O2A 0.8816
455 3HA 0.8816
456 TVP 0.8816
457 TLA 0.8816
458 39U 0.8816
459 3F0 0.8815
460 M2K 0.8814
461 56D 0.8814
462 GYE 0.8813
463 SOR 0.8813
464 152 0.8813
465 3HG 0.8812
466 S76 0.8812
467 FE DB1 0.8811
468 XXP 0.8810
469 4P0 0.8810
470 BMA 0.8810
471 EYK 0.8809
472 GCB 0.8809
473 XAZ 0.8808
474 GDE 0.8807
475 4A5 0.8806
476 HBU 0.8805
477 2GS 0.8805
478 GLR 0.8804
479 M5E 0.8804
480 FBV 0.8804
481 BTY 0.8803
482 GUN 0.8803
483 TPO 0.8803
484 DHS 0.8802
485 1SV 0.8802
486 CSN 0.8802
487 FUC 0.8802
488 ESP 0.8802
489 4BZ 0.8802
490 2F6 0.8801
491 CKX 0.8801
492 GLG 0.8800
493 3MA 0.8800
494 XAN 0.8800
495 3OC 0.8800
496 463 0.8799
497 AGK 0.8799
498 GLF 0.8799
499 K2T 0.8798
500 4HM 0.8798
501 LPK 0.8797
502 0RN 0.8797
503 4NG 0.8797
504 R20 0.8796
505 3MG 0.8796
506 SN4 0.8795
507 BCK 0.8795
508 4NB 0.8795
509 EVA 0.8795
510 EA1 0.8793
511 9RH 0.8792
512 MVL 0.8792
513 V55 0.8792
514 MBG 0.8792
515 AHD 0.8791
516 IUP 0.8791
517 9DG 0.8791
518 4NM 0.8790
519 0LH 0.8790
520 G1P 0.8790
521 7Y3 0.8790
522 J9W 0.8789
523 ISD 0.8788
524 R8S 0.8788
525 7D2 0.8788
526 NHC 0.8788
527 2O6 0.8788
528 3R6 0.8787
529 7N0 0.8785
530 6DP 0.8785
531 263 0.8785
532 2A7 0.8785
533 UEG 0.8785
534 OVV 0.8785
535 42A 0.8784
536 YSO 0.8784
537 ZXD 0.8783
538 SVD 0.8783
539 717 0.8783
540 12T 0.8783
541 X1R 0.8782
542 MNP 0.8782
543 5RP 0.8782
544 AKG 0.8782
545 SYG 0.8782
546 23J 0.8780
547 8EW 0.8779
548 NZ2 0.8779
549 RNO 0.8779
550 HXX 0.8777
551 4JT 0.8776
552 RSM 0.8776
553 329 0.8776
554 BZX 0.8775
555 RB0 0.8774
556 1FF 0.8774
557 GLC 0.8774
558 ROR 0.8774
559 75K 0.8773
560 Q71 0.8773
561 SJ5 0.8773
562 149 0.8772
563 3HP 0.8772
564 BPN 0.8772
565 AQQ 0.8771
566 FYU 0.8771
567 IT9 0.8770
568 BGC 0.8770
569 4PN 0.8769
570 HHT 0.8768
571 UNC 0.8768
572 DZX 0.8767
573 2LP 0.8767
574 6KT 0.8765
575 NDH 0.8765
576 XIY 0.8765
577 7MU 0.8765
578 MAJ 0.8764
579 P22 0.8764
580 LQ2 0.8764
581 B55 0.8763
582 KIB 0.8762
583 LNR 0.8761
584 PHY 0.8761
585 DGJ 0.8760
586 212 0.8760
587 HQJ 0.8759
588 FPK 0.8759
589 FH2 0.8759
590 ESX 0.8759
591 UAN 0.8759
592 8H8 0.8758
593 EJZ 0.8757
594 FCR 0.8757
595 GZL 0.8756
596 ICB 0.8756
597 4AA 0.8756
598 K2Q 0.8756
599 2FG 0.8755
600 GAB 0.8755
601 SRT 0.8755
602 CTL 0.8754
603 GVM 0.8754
604 Q7A 0.8754
605 LDP 0.8753
606 G3F 0.8753
607 VOH 0.8753
608 XUL 0.8752
609 F4E 0.8752
610 7HQ 0.8752
611 LZM 0.8751
612 M3S 0.8751
613 0UT 0.8751
614 IFG 0.8750
615 BFM 0.8749
616 4JQ 0.8748
617 2K4 0.8747
618 AW5 0.8747
619 X1P 0.8747
620 3HB 0.8747
621 2H5 0.8746
622 3C7 0.8746
623 M3Q 0.8746
624 ISZ 0.8746
625 DA4 0.8745
626 RES 0.8745
627 ASO 0.8744
628 6VD 0.8744
629 DHB 0.8743
630 ZON 0.8743
631 SNO 0.8743
632 GXL 0.8742
633 PQK 0.8742
634 428 0.8742
635 SLC 0.8742
636 FXH 0.8742
637 5RO 0.8742
638 3V4 0.8741
639 1Z8 0.8741
640 PHB 0.8740
641 ZOL 0.8739
642 NOY 0.8739
643 TAR 0.8739
644 ASF 0.8739
645 9MG 0.8739
646 20J 0.8738
647 AZ8 0.8736
648 DAL DAL 0.8736
649 OVP 0.8736
650 G8M 0.8736
651 259 0.8735
652 5MI 0.8735
653 6RQ 0.8734
654 QDK 0.8734
655 X8Z 0.8734
656 BZS 0.8734
657 RIB 0.8734
658 FP1 0.8733
659 2AS 0.8733
660 MFU 0.8732
661 NID 0.8730
662 SER PRO 0.8729
663 3PG 0.8729
664 SRO 0.8729
665 5H1 0.8728
666 1P3 0.8728
667 LGC 0.8728
668 XEN 0.8728
669 8EZ 0.8728
670 67Y 0.8727
671 EMZ 0.8727
672 4I8 0.8726
673 1M2 0.8726
674 INE 0.8726
675 3NT 0.8726
676 4RW 0.8725
677 14O 0.8725
678 GTZ 0.8725
679 HLZ 0.8724
680 DIE 0.8724
681 OA3 0.8724
682 289 0.8723
683 PAB 0.8723
684 ARW 0.8722
685 FBU 0.8722
686 PZI 0.8721
687 4TU 0.8721
688 PEY 0.8720
689 512 0.8720
690 JV4 0.8720
691 A2G 0.8720
692 MAN 0.8720
693 3AB 0.8720
694 GLU 0.8720
695 AC6 0.8719
696 XH2 0.8719
697 5QY 0.8719
698 9FE 0.8718
699 PA1 0.8718
700 DBJ 0.8718
701 DHI 0.8718
702 J6W 0.8718
703 6AI 0.8717
704 DHY 0.8717
705 K97 0.8717
706 BPS 0.8716
707 46P 0.8714
708 GLY CYS 0.8713
709 4FA 0.8713
710 1WC 0.8712
711 7Q1 0.8712
712 2BG 0.8712
713 8XL 0.8711
714 XXG 0.8711
715 4AV 0.8711
716 APZ 0.8711
717 SLS 0.8710
718 2DR 0.8710
719 HYA 0.8710
720 C4L 0.8709
721 INO 0.8709
722 F34 0.8708
723 QY9 0.8707
724 A9O 0.8707
725 NOJ 0.8707
726 1GN 0.8706
727 DMJ 0.8705
728 9ZE 0.8705
729 2CZ 0.8705
730 NGA 0.8705
731 AHB 0.8704
732 DPF 0.8704
733 M1Q 0.8703
734 MJ2 0.8703
735 X6X 0.8702
736 MHK 0.8702
737 IV2 0.8701
738 HMU 0.8700
739 5LA 0.8699
740 SR1 0.8699
741 I1E 0.8699
742 GOX 0.8697
743 QMS 0.8697
744 OTR 0.8697
745 BHO 0.8697
746 NPO 0.8697
747 261 0.8697
748 MQN 0.8696
749 AJ2 0.8695
750 PE0 0.8695
751 NMJ 0.8695
752 HMH 0.8695
753 TT4 0.8694
754 JRB 0.8693
755 FEH 0.8693
756 IP0 0.8693
757 GT0 0.8692
758 E1P 0.8691
759 RM1 0.8691
760 0W8 0.8691
761 GJP 0.8690
762 Q88 0.8690
763 RIM 0.8689
764 XQK 0.8689
765 4ZC 0.8689
766 CN0 0.8689
767 5WX 0.8689
768 7FF 0.8689
769 H7Y 0.8688
770 M4S 0.8686
771 NLA 0.8686
772 SAL 0.8686
773 NIZ 0.8686
774 3PF 0.8686
775 7A8 0.8686
776 A09 0.8686
777 Q24 0.8685
778 4YO 0.8685
779 3DM 0.8683
780 GYP 0.8683
781 SEP 0.8683
782 53C 0.8683
783 ASP 0.8683
784 EHM 0.8682
785 D48 0.8682
786 IF7 0.8682
787 DYT 0.8681
788 DS0 0.8680
789 E4P 0.8680
790 3U4 0.8680
791 K6H 0.8679
792 12M 0.8679
793 MCO 0.8679
794 B2J 0.8679
795 KOJ 0.8679
796 CKU 0.8678
797 BEU 0.8678
798 P9P 0.8678
799 MEW 0.8677
800 MO8 0.8677
801 SAN 0.8677
802 TGX 0.8676
803 SNE 0.8676
804 4BY 0.8675
805 T9G 0.8675
806 MB1 0.8674
807 8OZ 0.8672
808 GF1 0.8671
809 7ME 0.8670
810 9RW 0.8670
811 2SX 0.8669
812 QX4 0.8668
813 XYL 0.8667
814 PRY 0.8667
815 5QX 0.8667
816 1LN 0.8666
817 ZZ3 0.8666
818 4XV 0.8665
819 AL0 0.8665
820 MWP 0.8664
821 BE2 0.8664
822 IFP 0.8664
823 4RU 0.8663
824 X0V 0.8663
825 NSP 0.8662
826 GDL 0.8661
827 4MA 0.8661
828 RBL 0.8661
829 4BL 0.8660
830 HBD 0.8659
831 RMN 0.8658
832 5MB 0.8657
833 PZM 0.8657
834 AX3 0.8657
835 24B 0.8657
836 LTM 0.8657
837 G2F 0.8657
838 SHG 0.8656
839 PAF 0.8655
840 HHI 0.8655
841 NOK 0.8655
842 AHR 0.8655
843 EDR 0.8654
844 4PW 0.8653
845 LRH 0.8651
846 3SK 0.8651
847 4FH 0.8651
848 M1H 0.8650
849 SKJ 0.8650
850 SD4 0.8650
851 4NC 0.8649
852 NTZ 0.8649
853 ECG 0.8649
854 FUL 0.8649
855 CHB 0.8648
856 BM3 0.8648
857 MA3 0.8647
858 EOL 0.8647
859 PBZ 0.8647
860 OGA 0.8647
861 ZB1 0.8646
862 M1P 0.8646
863 49N 0.8645
864 JWB 0.8644
865 CAM 0.8644
866 BSX 0.8643
867 NHG 0.8643
868 790 0.8643
869 173 0.8643
870 94B 0.8641
871 D07 0.8641
872 GCS 0.8641
873 EU7 0.8640
874 6J9 0.8640
875 57O 0.8640
876 67X 0.8640
877 XCZ 0.8639
878 DJN 0.8638
879 SMN 0.8638
880 TNX 0.8638
881 7MK 0.8638
882 WOO 0.8638
883 KBG 0.8637
884 XLS 0.8637
885 KIA 0.8637
886 ZZT 0.8637
887 P72 0.8636
888 BZJ 0.8636
889 IOP 0.8635
890 YRL 0.8635
891 K5W 0.8634
892 N3W 0.8633
893 ISJ 0.8633
894 3FH 0.8633
895 2D3 0.8631
896 TQU 0.8631
897 S24 0.8627
898 EKZ 0.8627
899 GLL 0.8627
900 1Y6 0.8626
901 3C4 0.8626
902 PJL 0.8626
903 ONL 0.8626
904 GRO 0.8624
905 DQU 0.8623
906 8GC 0.8623
907 3BZ 0.8623
908 HBA 0.8623
909 FBW 0.8622
910 HC4 0.8622
911 93K 0.8621
912 36E 0.8621
913 JZ4 0.8621
914 M4T 0.8620
915 GJZ 0.8619
916 PXL 0.8617
917 8SZ 0.8617
918 9R5 0.8616
919 6M4 0.8616
920 E7S 0.8615
921 SBK 0.8613
922 TRP 0.8613
923 VNJ 0.8613
924 7MX 0.8612
925 2HO 0.8610
926 8WT 0.8610
927 S7J 0.8609
928 EN1 0.8606
929 LR5 0.8606
930 AOZ 0.8606
931 NBG 0.8606
932 HHA 0.8606
933 MYJ 0.8605
934 9TW 0.8605
935 B57 0.8605
936 NBB 0.8604
937 SWA 0.8603
938 AHN 0.8601
939 S3P 0.8601
940 QSB 0.8600
941 PXM 0.8600
942 GLN 0.8600
943 ICF 0.8599
944 LCN 0.8598
945 MZT 0.8598
946 BBK 0.8598
947 HQD 0.8597
948 GOJ 0.8596
949 7QS 0.8596
950 CAH 0.8596
951 LT3 0.8596
952 B5D 0.8595
953 TYL 0.8594
954 OSE 0.8593
955 AOT 0.8593
956 ALL 0.8591
957 TLM 0.8590
958 F52 0.8590
959 0FK 0.8589
960 AEF 0.8588
961 FBF 0.8588
962 UNJ 0.8587
963 3DO 0.8586
964 JF4 0.8586
965 4XS 0.8585
966 IHB 0.8584
967 Z82 0.8584
968 AEH 0.8583
969 VK3 0.8583
970 RM4 0.8581
971 MFB 0.8580
972 GIM 0.8578
973 7I2 0.8578
974 ZGL 0.8578
975 TSU 0.8577
976 L13 0.8576
977 WCE 0.8575
978 EXD 0.8575
979 JND 0.8574
980 7WG 0.8572
981 PAC 0.8572
982 YZM 0.8571
983 S0E 0.8570
984 3ZB 0.8570
985 CNL 0.8569
986 JKE 0.8569
987 INF 0.8569
988 B62 0.8568
989 Q07 0.8568
990 CFA 0.8567
991 CTS 0.8564
992 3C2 0.8564
993 Z13 0.8563
994 2EH 0.8562
995 TL6 0.8562
996 DTR 0.8562
997 4VP 0.8562
998 1WD 0.8561
999 ABV 0.8558
1000 4JC 0.8557
1001 JF6 0.8557
1002 4HP 0.8556
1003 LYL 0.8555
1004 6UA 0.8553
1005 3XR 0.8552
1006 2EC 0.8552
1007 FDR 0.8551
1008 PJW 0.8550
1009 RBJ 0.8549
1010 DFU 0.8548
1011 TNF 0.8547
1012 JTH 0.8543
1013 3XX 0.8543
1014 E35 0.8541
1015 AAN 0.8539
1016 44V 0.8538
1017 G3P 0.8538
1018 680 0.8537
1019 3C1 0.8535
1020 MXN 0.8534
1021 TNE 0.8534
1022 KP6 0.8534
1023 FCB 0.8533
1024 4SX 0.8528
1025 0P6 0.8523
1026 HL4 0.8522
1027 PPR 0.8522
1028 308 0.8520
1029 KG1 0.8517
1030 2XX 0.8502
Ligand no: 2; Ligand: ESI; Similar ligands found: 1087
No: Ligand Similarity coefficient
1 KTW 1.0000
2 FF2 0.9763
3 9FE 0.9756
4 0W1 0.9742
5 ESP 0.9739
6 8HC 0.9725
7 0FK 0.9719
8 ESX 0.9713
9 ICB 0.9678
10 BZ2 0.9677
11 HA5 0.9675
12 8NX 0.9636
13 N8Y 0.9634
14 0JD 0.9627
15 12T 0.9612
16 V1T 0.9598
17 EXD 0.9596
18 SLS 0.9591
19 VXX 0.9570
20 8WT 0.9566
21 15N 0.9557
22 E1T 0.9554
23 6FZ 0.9540
24 0HO 0.9538
25 HJH 0.9526
26 1F1 0.9524
27 6NI 0.9519
28 DNF 0.9515
29 0HN 0.9514
30 3A9 0.9510
31 JAW 0.9509
32 VNL 0.9504
33 2ZM 0.9504
34 2HU 0.9501
35 428 0.9499
36 8ZE 0.9494
37 JDN 0.9493
38 6NT 0.9489
39 3NY 0.9487
40 ZYR 0.9487
41 6QF 0.9480
42 2HC 0.9479
43 K97 0.9474
44 4ZA 0.9464
45 AY4 0.9462
46 5NI 0.9461
47 ANC 0.9458
48 JF2 0.9456
49 PPY 0.9456
50 4WL 0.9453
51 68A 0.9453
52 344 0.9452
53 CH9 0.9451
54 2BG 0.9446
55 JB8 0.9444
56 TWO 0.9443
57 9ZE 0.9441
58 36E 0.9435
59 ABI 0.9434
60 P7Y 0.9432
61 HHS 0.9430
62 4BL 0.9428
63 4BY 0.9427
64 SG2 0.9424
65 8WO 0.9421
66 R2P 0.9420
67 JF1 0.9419
68 UNJ 0.9398
69 JND 0.9397
70 EVF 0.9393
71 3ZB 0.9392
72 PO6 0.9392
73 XIY 0.9390
74 HQJ 0.9389
75 2K8 0.9389
76 2O6 0.9386
77 4P5 0.9385
78 BEA 0.9382
79 H5B 0.9380
80 J9Q 0.9380
81 UFO 0.9374
82 JG8 0.9370
83 N7I 0.9369
84 GNM 0.9367
85 KUF 0.9364
86 BZE 0.9362
87 5TY 0.9361
88 9FL 0.9359
89 IHB 0.9358
90 1HN 0.9358
91 L5V 0.9358
92 YZM 0.9358
93 AOT 0.9354
94 1A7 0.9351
95 97T 0.9349
96 4LW 0.9349
97 GZ2 0.9347
98 6KT 0.9345
99 GJP 0.9345
100 2HO 0.9344
101 4RU 0.9343
102 INO 0.9342
103 9CA 0.9341
104 1IT 0.9341
105 PIM 0.9337
106 JLZ 0.9333
107 AN3 0.9332
108 ONR 0.9331
109 LQ2 0.9331
110 N2I 0.9329
111 AJY 0.9329
112 F4E 0.9329
113 6TZ 0.9328
114 TCA 0.9327
115 CHB 0.9326
116 0F9 0.9321
117 5RO 0.9321
118 A5E 0.9321
119 8W9 0.9320
120 QSB 0.9317
121 1M2 0.9316
122 FDR 0.9315
123 CWS 0.9313
124 9TW 0.9311
125 M1Z 0.9310
126 PIY 0.9308
127 93K 0.9305
128 0BP 0.9305
129 N1E 0.9304
130 61M 0.9297
131 HCI 0.9297
132 BQ2 0.9296
133 P9P 0.9295
134 XDK 0.9295
135 XIZ 0.9295
136 FGZ 0.9294
137 NNO 0.9294
138 AX3 0.9292
139 QUS 0.9292
140 5LA 0.9292
141 39O 0.9291
142 8XL 0.9290
143 JP2 0.9288
144 DHB 0.9288
145 4A3 0.9286
146 HX4 0.9285
147 QSH 0.9284
148 FHB 0.9281
149 MSR 0.9280
150 GDE 0.9280
151 KT7 0.9279
152 MYJ 0.9277
153 KYA 0.9276
154 463 0.9273
155 GVG 0.9273
156 R20 0.9272
157 7WR 0.9271
158 GO2 0.9271
159 SNU 0.9271
160 4KL 0.9269
161 3HM 0.9268
162 KDV 0.9268
163 2D0 0.9265
164 M3H 0.9262
165 L22 0.9262
166 DNA 0.9261
167 4NB 0.9258
168 J6W 0.9258
169 7I2 0.9257
170 BNL 0.9257
171 27B 0.9256
172 F31 0.9254
173 692 0.9254
174 OTW 0.9250
175 5XC 0.9249
176 4NC 0.9249
177 XX2 0.9249
178 IWT 0.9249
179 52C 0.9248
180 PH2 0.9247
181 V55 0.9244
182 E35 0.9243
183 BZJ 0.9242
184 MAJ 0.9242
185 X0U 0.9241
186 0P6 0.9236
187 2FQ 0.9236
188 BPY 0.9236
189 3Z8 0.9232
190 3J8 0.9228
191 5QY 0.9225
192 GHM 0.9221
193 SKF 0.9221
194 8CM 0.9219
195 BZ3 0.9217
196 SKM 0.9215
197 MVN 0.9214
198 XCG 0.9214
199 TMG 0.9213
200 HHR 0.9210
201 F0J 0.9210
202 EYV 0.9210
203 1L5 0.9210
204 505 0.9209
205 XAZ 0.9209
206 PJW 0.9207
207 AMR 0.9207
208 CXH 0.9207
209 3PF 0.9207
210 D48 0.9205
211 7VP 0.9205
212 EOL 0.9204
213 QX4 0.9204
214 4XV 0.9203
215 LSQ 0.9202
216 ALE 0.9201
217 GCS 0.9200
218 R9Y 0.9200
219 STT 0.9200
220 4MU 0.9198
221 4V2 0.9197
222 N2M 0.9196
223 A29 0.9195
224 DQU 0.9195
225 APS 0.9193
226 VOH 0.9190
227 6ME 0.9190
228 C1M 0.9190
229 CPZ 0.9190
230 0FO 0.9187
231 EUG 0.9186
232 4M4 0.9186
233 MPV 0.9186
234 5OB 0.9186
235 L99 0.9183
236 S2P 0.9183
237 DIN 0.9182
238 IAC 0.9182
239 X11 0.9182
240 GF4 0.9182
241 IV2 0.9177
242 2HQ 0.9176
243 AA 0.9176
244 M2K 0.9176
245 HBO 0.9172
246 RAT 0.9171
247 PEY 0.9170
248 RUY 0.9169
249 A7W 0.9167
250 TB8 0.9166
251 TYL 0.9165
252 X48 0.9163
253 92P 0.9162
254 N0Z 0.9162
255 8NB 0.9161
256 L14 0.9161
257 54X 0.9161
258 363 0.9160
259 4JQ 0.9159
260 ARP 0.9159
261 URC 0.9158
262 15L 0.9158
263 ZEC 0.9157
264 94W 0.9156
265 3R4 0.9155
266 JB5 0.9154
267 9R5 0.9154
268 MQN 0.9153
269 KTJ 0.9153
270 03V 0.9152
271 CWM 0.9152
272 3VX 0.9149
273 B4O 0.9146
274 E7Z 0.9145
275 NCT 0.9145
276 ES5 0.9144
277 TOF 0.9143
278 APZ 0.9141
279 86J 0.9141
280 PNZ 0.9140
281 56D 0.9139
282 DHK 0.9138
283 4FS 0.9135
284 OCH 0.9133
285 FBB 0.9132
286 P80 0.9132
287 H7Y 0.9131
288 92K 0.9130
289 UFV 0.9130
290 2AQ 0.9129
291 2LY 0.9129
292 PRZ 0.9128
293 SOR 0.9126
294 GO8 0.9126
295 B56 0.9125
296 H42 0.9124
297 F9Y 0.9124
298 KMY 0.9124
299 OMD 0.9123
300 YTX 0.9123
301 ICO 0.9123
302 C2Y 0.9122
303 4Z4 0.9121
304 LNR 0.9121
305 44W 0.9120
306 TGX 0.9119
307 MRW 0.9118
308 HQT 0.9117
309 SQ4 0.9116
310 IOS 0.9116
311 AEH 0.9115
312 JR2 0.9115
313 E5X 0.9114
314 F2W 0.9112
315 J5I 0.9111
316 4AV 0.9109
317 0N7 0.9109
318 BGC 0.9109
319 COU 0.9108
320 MPK 0.9108
321 K3Q 0.9106
322 36Y 0.9106
323 5OO 0.9103
324 ES0 0.9102
325 ANN 0.9101
326 K25 0.9101
327 M5H 0.9101
328 UAN 0.9100
329 NBG 0.9100
330 4XS 0.9099
331 SE2 0.9099
332 AMQ 0.9099
333 N91 0.9098
334 G3E 0.9097
335 3R6 0.9097
336 ZYQ 0.9097
337 4XF 0.9097
338 N2Z 0.9096
339 TT4 0.9096
340 HDL 0.9096
341 M45 0.9095
342 SYV 0.9095
343 15E 0.9095
344 M78 0.9095
345 EGR 0.9094
346 BGU 0.9093
347 6RQ 0.9092
348 CFA 0.9092
349 S60 0.9092
350 GJK 0.9092
351 X0W 0.9091
352 6Q3 0.9091
353 6FB 0.9091
354 ANF 0.9089
355 5RN 0.9088
356 B55 0.9088
357 2A9 0.9087
358 7ZL 0.9087
359 4FH 0.9086
360 717 0.9085
361 0TU 0.9082
362 DNC 0.9081
363 44V 0.9080
364 M4E 0.9078
365 CK2 0.9077
366 HIS 0.9076
367 MB1 0.9074
368 NAG 0.9074
369 9AP 0.9074
370 XHP 0.9073
371 S0E 0.9073
372 92G 0.9072
373 GLC 0.9071
374 2F6 0.9071
375 BDP 0.9070
376 X0V 0.9070
377 B62 0.9070
378 EN1 0.9070
379 1P7 0.9069
380 2AK 0.9069
381 HQD 0.9067
382 ZME 0.9067
383 SNO 0.9067
384 MR1 0.9066
385 4JT 0.9066
386 YO5 0.9066
387 G3F 0.9065
388 4AA 0.9065
389 8S0 0.9062
390 THA 0.9062
391 PD2 0.9062
392 BPU 0.9060
393 A7H 0.9059
394 Q88 0.9059
395 G12 0.9058
396 GI3 0.9057
397 J9N 0.9056
398 FER 0.9056
399 MXD 0.9053
400 30G 0.9053
401 4SX 0.9051
402 P81 0.9050
403 173 0.9048
404 CWJ 0.9048
405 GAL 0.9047
406 AX7 0.9047
407 BP7 0.9047
408 LDP 0.9046
409 209 0.9046
410 7MU 0.9046
411 1Z6 0.9046
412 795 0.9046
413 8TX 0.9046
414 H4E 0.9045
415 3Y7 0.9045
416 AJV 0.9044
417 ABV 0.9042
418 4I8 0.9042
419 PLP 0.9041
420 N9J 0.9041
421 S7J 0.9040
422 URO 0.9040
423 DE5 0.9039
424 EMZ 0.9037
425 SWA 0.9036
426 4YO 0.9035
427 Z5P 0.9035
428 PHU 0.9034
429 M4T 0.9034
430 HHI 0.9034
431 N3W 0.9034
432 8U3 0.9033
433 SKA 0.9032
434 E7S 0.9032
435 MUK 0.9030
436 259 0.9029
437 SHI 0.9028
438 7AP 0.9027
439 45L 0.9026
440 268 0.9026
441 M6Z 0.9025
442 IL5 0.9025
443 SYA 0.9024
444 QBS 0.9022
445 W29 0.9021
446 LDR 0.9018
447 DHI 0.9017
448 069 0.9016
449 2JK 0.9016
450 KTA 0.9015
451 AKG 0.9015
452 JTH 0.9015
453 8G0 0.9013
454 BNF 0.9013
455 C82 0.9013
456 5JL 0.9012
457 5GT 0.9010
458 HDH 0.9009
459 D3G 0.9009
460 5JQ 0.9008
461 5QX 0.9008
462 JBZ 0.9008
463 3AE 0.9007
464 HC4 0.9007
465 AMH 0.9006
466 GTR 0.9006
467 2FX 0.9006
468 PZI 0.9005
469 4LV 0.9005
470 RNO 0.9005
471 PDC 0.9002
472 IFP 0.9002
473 GXY 0.9001
474 K2T 0.9001
475 4BZ 0.9001
476 28N 0.9000
477 4NM 0.8997
478 1KP 0.8997
479 JYB 0.8997
480 ITE 0.8997
481 PHE 0.8995
482 BTY 0.8994
483 C9E 0.8994
484 ZHA 0.8993
485 GVY 0.8992
486 XDE 0.8992
487 NIZ 0.8992
488 MUA 0.8991
489 DEE 0.8991
490 ASO 0.8990
491 NFA 0.8986
492 EKZ 0.8985
493 PAC 0.8985
494 FBF 0.8985
495 DHC 0.8985
496 SN4 0.8984
497 4ME 0.8984
498 5B1 0.8983
499 TTL 0.8983
500 EV0 0.8982
501 2FY 0.8982
502 75K 0.8982
503 CLZ 0.8982
504 1X8 0.8982
505 FE DB1 0.8981
506 EUE 0.8980
507 7W1 0.8979
508 BHA 0.8978
509 P9E 0.8976
510 CIY 0.8976
511 ENO 0.8975
512 DPT 0.8974
513 HL4 0.8974
514 GCB 0.8973
515 LR5 0.8973
516 Y3L 0.8973
517 KJU 0.8972
518 ODO 0.8971
519 TSS 0.8971
520 6R8 0.8970
521 HFA 0.8969
522 HSX 0.8968
523 I6G 0.8967
524 4M0 0.8966
525 EVA 0.8965
526 RKV 0.8964
527 SRO 0.8963
528 BRH 0.8963
529 CFI 0.8963
530 S2G 0.8963
531 2D3 0.8962
532 4NZ 0.8962
533 2AL 0.8962
534 LT2 0.8961
535 BHO 0.8960
536 QIV 0.8960
537 MAQ 0.8959
538 ET2 0.8959
539 FQX 0.8958
540 ASC 0.8957
541 PRA 0.8957
542 ES2 0.8956
543 I3A 0.8955
544 NDH 0.8955
545 TZF 0.8955
546 5VL 0.8954
547 OGA 0.8953
548 774 0.8952
549 B40 0.8952
550 8IG 0.8951
551 IPT 0.8951
552 PBA 0.8950
553 12Q 0.8950
554 LIP 0.8949
555 M3E 0.8949
556 3QV 0.8948
557 TZM 0.8948
558 EA1 0.8947
559 DRG 0.8947
560 KYN 0.8947
561 AZ9 0.8946
562 JFJ 0.8946
563 9UL 0.8945
564 FZM 0.8945
565 HPT 0.8944
566 5GU 0.8943
567 6DP 0.8943
568 WUB 0.8943
569 FUD 0.8941
570 ZSP 0.8941
571 G6P 0.8941
572 258 0.8940
573 H4B 0.8938
574 DK1 0.8937
575 4TU 0.8936
576 1QV 0.8936
577 B60 0.8935
578 1XA 0.8935
579 RM1 0.8934
580 2MI 0.8933
581 1VK 0.8933
582 0FR 0.8932
583 LJ3 0.8932
584 PRF 0.8931
585 LGC 0.8928
586 K44 0.8925
587 LL1 0.8925
588 FA0 0.8924
589 537 0.8924
590 AM4 0.8924
591 HBD 0.8924
592 FP1 0.8924
593 MD6 0.8923
594 DOB 0.8922
595 NQH 0.8920
596 3MG 0.8918
597 2H5 0.8918
598 CCV 0.8918
599 LAO 0.8916
600 ISZ 0.8916
601 XQK 0.8916
602 B2J 0.8916
603 P72 0.8914
604 7MX 0.8914
605 KG1 0.8914
606 55D 0.8913
607 878 0.8913
608 PBZ 0.8912
609 RA7 0.8912
610 P92 0.8910
611 MS9 0.8910
612 GCU 0.8909
613 K34 0.8908
614 MOK 0.8907
615 0NX 0.8907
616 A5P 0.8906
617 M1Q 0.8904
618 9KT 0.8904
619 SHA 0.8902
620 I4D 0.8902
621 OW4 0.8901
622 AC6 0.8901
623 GZL 0.8900
624 8MO 0.8900
625 KOJ 0.8899
626 HX3 0.8899
627 4NO 0.8899
628 NOJ 0.8898
629 BPN 0.8898
630 JRB 0.8897
631 5VM 0.8895
632 IOP 0.8894
633 4FA 0.8894
634 1Y6 0.8893
635 SW7 0.8893
636 GCO 0.8890
637 AJ2 0.8890
638 DHY 0.8889
639 QBM 0.8889
640 B21 0.8889
641 3MB 0.8888
642 ABF 0.8888
643 Q71 0.8888
644 FBM 0.8887
645 2HG 0.8887
646 5WV 0.8885
647 0W8 0.8885
648 JAE 0.8885
649 8XQ 0.8884
650 CTL 0.8884
651 4R1 0.8883
652 1WC 0.8882
653 QMP 0.8882
654 PH3 0.8879
655 DDU 0.8879
656 QPR 0.8878
657 4MA 0.8878
658 M6P 0.8878
659 270 0.8877
660 0FN 0.8877
661 LEL 0.8877
662 BG6 0.8877
663 F4K 0.8877
664 K37 0.8874
665 FOT 0.8874
666 SYR 0.8873
667 TTY 0.8873
668 F12 0.8873
669 2GQ 0.8873
670 ALL 0.8872
671 2FG 0.8871
672 PQK 0.8871
673 TIU 0.8871
674 1X7 0.8869
675 LI6 0.8868
676 FHC 0.8868
677 F69 0.8868
678 1QP 0.8868
679 KJH 0.8867
680 H33 0.8867
681 NPA 0.8867
682 6VD 0.8866
683 F5C 0.8866
684 ADA 0.8864
685 DPZ 0.8863
686 F9P 0.8863
687 826 0.8863
688 DPN 0.8863
689 G2F 0.8862
690 0XT 0.8861
691 IPD 0.8861
692 CKA 0.8861
693 PMP 0.8861
694 KKN 0.8860
695 0SY 0.8860
696 ROI 0.8860
697 OVM 0.8858
698 M5K 0.8858
699 6HP 0.8858
700 HKD 0.8858
701 XQ0 0.8857
702 1P8 0.8857
703 2QC 0.8856
704 CLW 0.8854
705 IPB 0.8854
706 YRL 0.8854
707 3VQ 0.8854
708 QMS 0.8853
709 ES7 0.8851
710 Q02 0.8850
711 DAH 0.8850
712 2EC 0.8848
713 5CU 0.8848
714 C2U 0.8847
715 JA8 0.8847
716 3IT 0.8847
717 I3E 0.8847
718 JF6 0.8846
719 SHG 0.8845
720 1SQ 0.8845
721 4AB 0.8845
722 261 0.8844
723 42J 0.8844
724 B5D 0.8842
725 DMD 0.8842
726 CXF 0.8842
727 PHB 0.8840
728 TIY 0.8840
729 Q24 0.8840
730 TPA 0.8839
731 J9W 0.8838
732 TU0 0.8838
733 DGL 0.8837
734 HBI 0.8837
735 149 0.8837
736 CKU 0.8835
737 PAB 0.8834
738 4HC 0.8834
739 JTA 0.8834
740 GWM 0.8834
741 SXS 0.8833
742 1X4 0.8833
743 EE8 0.8832
744 9BF 0.8832
745 5NU 0.8831
746 3ID 0.8831
747 BIK 0.8829
748 7W4 0.8827
749 4HM 0.8827
750 4CM 0.8827
751 5WY 0.8826
752 5F5 0.8826
753 VGD 0.8825
754 M6N 0.8825
755 GNV 0.8821
756 6BL 0.8821
757 L5E 0.8821
758 GLO 0.8821
759 7O4 0.8820
760 GTQ 0.8820
761 49O 0.8819
762 36R 0.8819
763 42A 0.8819
764 5E5 0.8818
765 4XR 0.8818
766 DGJ 0.8817
767 OTR 0.8817
768 3QM 0.8817
769 AQO 0.8816
770 AMS 0.8816
771 ISN 0.8815
772 BIO 0.8815
773 HRM 0.8814
774 NDG 0.8813
775 C53 0.8813
776 K68 0.8813
777 H2B 0.8812
778 4XH 0.8811
779 MWP 0.8811
780 A1Y 0.8811
781 PE0 0.8811
782 4VS 0.8810
783 MEW 0.8809
784 11S 0.8808
785 NLA 0.8808
786 HJP 0.8808
787 78Y 0.8807
788 K22 0.8806
789 EWG 0.8806
790 NPO 0.8805
791 5MK 0.8804
792 54G 0.8801
793 2KA 0.8800
794 GOJ 0.8800
795 LZ2 0.8800
796 DX3 0.8800
797 X8D 0.8798
798 FCD 0.8797
799 MBG 0.8796
800 24W 0.8796
801 GIV 0.8796
802 5XB 0.8796
803 GLN 0.8796
804 5NS 0.8795
805 DIU 0.8794
806 HNT 0.8794
807 NID 0.8793
808 O2A 0.8792
809 BHQ 0.8792
810 M4S 0.8792
811 DHR 0.8791
812 TH7 0.8790
813 535 0.8789
814 HNQ 0.8788
815 PXL 0.8788
816 2BX 0.8786
817 AW5 0.8785
818 UNC 0.8785
819 S0D 0.8785
820 Q7A 0.8784
821 1NP 0.8784
822 GLA 0.8784
823 LKA 0.8784
824 IJZ 0.8783
825 VM1 0.8783
826 1GN 0.8782
827 BGP 0.8782
828 DRL 0.8781
829 7MW 0.8781
830 3C4 0.8780
831 B57 0.8779
832 TYR 0.8779
833 GB4 0.8779
834 549 0.8778
835 E3X 0.8778
836 5M0 0.8775
837 HJ8 0.8775
838 5RG 0.8774
839 KW8 0.8774
840 ES9 0.8772
841 8G6 0.8772
842 M1H 0.8771
843 AZ8 0.8771
844 H4N 0.8769
845 20J 0.8769
846 FTV 0.8768
847 A9P 0.8766
848 E4P 0.8764
849 8WZ 0.8764
850 5MI 0.8763
851 RD4 0.8763
852 B85 0.8762
853 CSN 0.8762
854 174 0.8760
855 RP5 0.8760
856 RP3 0.8760
857 LF5 0.8759
858 G1P 0.8758
859 FK1 0.8758
860 1LQ 0.8758
861 NDM 0.8757
862 HH8 0.8757
863 K32 0.8757
864 ES1 0.8756
865 R6T 0.8755
866 YIO 0.8752
867 GLU 0.8752
868 L7T 0.8750
869 23J 0.8750
870 14O 0.8750
871 UKV 0.8750
872 5IQ 0.8748
873 5H1 0.8747
874 G14 0.8747
875 AHR 0.8747
876 5GV 0.8746
877 6CS 0.8745
878 7VS 0.8745
879 AIN 0.8745
880 5SG 0.8743
881 IF7 0.8743
882 5MB 0.8742
883 3VS 0.8742
884 KGK 0.8741
885 F60 0.8740
886 Z82 0.8740
887 AKH 0.8740
888 8OZ 0.8739
889 LZM 0.8738
890 BZX 0.8738
891 1LM 0.8738
892 5OF 0.8738
893 HSO 0.8735
894 BA5 0.8734
895 INE 0.8730
896 ORO 0.8729
897 GM7 0.8728
898 NVU 0.8727
899 GYE 0.8727
900 OA3 0.8725
901 AL0 0.8725
902 AEF 0.8725
903 5Q0 0.8724
904 4A5 0.8724
905 A9O 0.8724
906 FDB 0.8723
907 DXK 0.8722
908 4CS 0.8722
909 GJS 0.8721
910 XM0 0.8720
911 152 0.8720
912 JA5 0.8720
913 GDL 0.8719
914 GZ8 0.8719
915 4YS 0.8719
916 DBJ 0.8719
917 5NE 0.8719
918 JXN 0.8718
919 QAT 0.8718
920 5F8 0.8718
921 J9T 0.8717
922 6X9 0.8716
923 7ZE 0.8716
924 K7M 0.8716
925 6L6 0.8716
926 PEA 0.8716
927 6ZW 0.8715
928 PYQ 0.8714
929 2K4 0.8714
930 OVP 0.8714
931 FBS 0.8714
932 9KH 0.8713
933 3HA 0.8712
934 495 0.8712
935 D1X 0.8712
936 5WT 0.8712
937 4HB 0.8710
938 QIC 0.8710
939 DBH 0.8709
940 57O 0.8709
941 O72 0.8708
942 OQC 0.8708
943 MNP 0.8707
944 FA6 0.8707
945 6AI 0.8706
946 P84 0.8706
947 4JC 0.8705
948 SOE 0.8705
949 1AL 0.8704
950 PUE 0.8704
951 2WU 0.8704
952 TSU 0.8704
953 LVD 0.8702
954 3M0 0.8701
955 ZZA 0.8701
956 GAB 0.8700
957 JPZ 0.8700
958 QBK 0.8700
959 4J8 0.8700
960 FAN 0.8699
961 NQ 0.8699
962 TRP 0.8699
963 MT0 0.8697
964 OVV 0.8697
965 M0W 0.8696
966 HQY 0.8696
967 0CU 0.8695
968 36M 0.8694
969 PRL 0.8694
970 XFE 0.8693
971 RXA 0.8692
972 64C 0.8692
973 9MG 0.8691
974 N5J 0.8690
975 FA3 0.8690
976 OXC 0.8689
977 QWN 0.8688
978 293 0.8687
979 Q6T 0.8687
980 S98 0.8687
981 4FE 0.8687
982 3BZ 0.8685
983 8NY 0.8685
984 3AB 0.8683
985 9TZ 0.8681
986 VK3 0.8679
987 82I 0.8679
988 IA2 0.8679
989 7NI 0.8678
990 OKM 0.8676
991 QXW 0.8676
992 3PG 0.8672
993 DOR 0.8670
994 PFB 0.8670
995 WCE 0.8670
996 Q77 0.8669
997 6GU 0.8667
998 TJM 0.8663
999 ODK 0.8663
1000 ZRK 0.8663
1001 AH9 0.8662
1002 BRT 0.8661
1003 A5H 0.8660
1004 67N 0.8659
1005 22L 0.8658
1006 BBY 0.8657
1007 VC3 0.8657
1008 M1A 0.8652
1009 FRU 0.8650
1010 E1K 0.8649
1011 2SX 0.8649
1012 3NT 0.8644
1013 6XI 0.8639
1014 4Z1 0.8639
1015 FLV 0.8638
1016 HMH 0.8638
1017 226 0.8638
1018 TQU 0.8636
1019 42C 0.8635
1020 XI7 0.8634
1021 680 0.8632
1022 AZM 0.8632
1023 GTC 0.8631
1024 SAN 0.8631
1025 CFF 0.8630
1026 QX2 0.8630
1027 M0Q 0.8628
1028 1DW 0.8627
1029 NPL 0.8627
1030 QWW 0.8626
1031 657 0.8626
1032 NMJ 0.8626
1033 3HB 0.8620
1034 3DM 0.8619
1035 PQ0 0.8618
1036 JCZ 0.8617
1037 3HP 0.8616
1038 B1J 0.8616
1039 BVA 0.8616
1040 R9S 0.8615
1041 DCZ 0.8615
1042 F6P 0.8612
1043 5FL 0.8611
1044 TCR 0.8608
1045 W81 0.8607
1046 8HH 0.8607
1047 AM1 0.8605
1048 M5N 0.8604
1049 DHQ 0.8603
1050 KBZ 0.8602
1051 GL1 0.8595
1052 DUR 0.8595
1053 KIB 0.8594
1054 XM5 0.8592
1055 DBX 0.8591
1056 HH5 0.8590
1057 FWD 0.8589
1058 4FF 0.8589
1059 M1E 0.8588
1060 4NP 0.8588
1061 KJ5 0.8588
1062 8GC 0.8586
1063 6OT 0.8586
1064 MIL 0.8582
1065 ARG 0.8581
1066 DC5 0.8581
1067 7B3 0.8580
1068 O2Y 0.8580
1069 H70 0.8580
1070 5V7 0.8577
1071 RMN 0.8576
1072 GUA 0.8575
1073 HHA 0.8570
1074 A13 0.8567
1075 6SD 0.8566
1076 1PS 0.8560
1077 TLM 0.8557
1078 3HG 0.8551
1079 KMH 0.8551
1080 8H8 0.8550
1081 BNT 0.8550
1082 GOE 0.8540
1083 53C 0.8540
1084 HLD 0.8536
1085 YE7 0.8533
1086 KBB 0.8524
1087 AAN 0.8522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GJC; Ligand: 130; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 1gjc.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 3UTU 1TS 45.0593
2 1O0D 163 45.0593
3 2A2X NA9 45.0593
4 2A2X NA9 45.0593
5 5L2Z 70C 45.8498
6 1EB1 ZAL PRO MMO 46.2451
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