Receptor
PDB id Resolution Class Description Source Keywords
6N69 2 Å EC: 5.3.99.2 RAT HPGDS COMPLEXED WITH A QUINOLINE RATTUS NORVEGICUS PGD2 SYNTHASE HYDROLASE
Ref.: THE DISCOVERY OF QUINOLINE-3-CARBOXAMIDES AS HEMATO PROSTAGLANDIN D SYNTHASE (H-PGDS) INHIBITORS. BIOORG. MED. CHEM. V. 27 1456 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GSH A:201;
B:201;
 Valid;
Valid;
 none;
none;
 submit data
307.323 C10 H17 N3 O6 S C(CC(...
KDV B:202;
A:202;
 Valid;
Valid;
 none;
none;
 ic50 = 220000 nM
154.168 C10 H6 N2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6N69 2 Å EC: 5.3.99.2 RAT HPGDS COMPLEXED WITH A QUINOLINE RATTUS NORVEGICUS PGD2 SYNTHASE HYDROLASE
Ref.: THE DISCOVERY OF QUINOLINE-3-CARBOXAMIDES AS HEMATO PROSTAGLANDIN D SYNTHASE (H-PGDS) INHIBITORS. BIOORG. MED. CHEM. V. 27 1456 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6N69 ic50 = 220000 nM KDV C10 H6 N2 c1ccc2c(c1....
2 1PD2 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
70% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5YWX Kd = 0.14 nM 93C C20 H17 N5 O2 c1ccnc(c1)....
2 2VD1 ic50 = 0.138 uM D28 C17 H13 F N2 O3 S Cc1cc(ccc1....
3 4EC0 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
4 5AIX Kd = 0.012 uM KRX C20 H22 F3 N3 O2 COc1cccc(c....
5 2CVD Kd = 0.8 uM HQL C22 H27 N5 O c1ccc(cc1)....
6 3VI7 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 4EDY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 4EE0 - GSF C10 H17 N3 O8 S C(CC(=O)N[....
9 5AIS Kd = 0.57 uM CWC C19 H22 N4 O CN(C)CCCC(....
10 2VCX ic50 = 0.021 uM D26 C12 H9 N3 S c1ccc(cc1)....
11 6W8H ic50 = 9.4 nM TJG C21 H27 N3 O2 CC(C)(C1CC....
12 3VI5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
13 5AIV Kd = 0.65 uM M1W C15 H16 N4 O3 COCCCNC(=O....
14 1V40 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
15 1IYI - GSH C10 H17 N3 O6 S C(CC(=O)N[....
16 6W58 ic50 = 3.9 nM SWS C21 H28 N4 O2 CC(C)(C1CC....
17 2VCW ic50 = 890 uM ZZA C10 H8 N2 O2 c1ccc(cc1)....
18 2VCZ - VC3 C9 H7 N3 O2 c1cc(ccc1c....
19 4EDZ - GSH C10 H17 N3 O6 S C(CC(=O)N[....
20 3EE2 ic50 ~ 65 uM NZO C14 H11 N3 O3 S COC(=O)Nc1....
21 1IYH - GSH C10 H17 N3 O6 S C(CC(=O)N[....
22 2VD0 ic50 = 11.6 uM D27 C18 H17 N O5 COc1ccc(cc....
23 6N4E ic50 = 9.9 nM KCD C20 H24 F2 N2 O3 CC(C)(C1CC....
24 2VCQ ic50 = 0.92 uM D25 C12 H9 N3 O c1ccc(cc1)....
25 6N69 ic50 = 220000 nM KDV C10 H6 N2 c1ccc2c(c1....
26 1PD2 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1M0U - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 2ON5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 1OE7 Kd = 9 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
4 2CAQ Kd = 285 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 2C80 Kd = 4.7 uM GTX C16 H30 N3 O6 S CCCCCCSC[C....
6 2CA8 Kd = 22 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 2F8F Kd = 21 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 1OE8 Kd = 9 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
9 2GSQ - GBI C17 H22 I N3 O6 S c1cc(cc(c1....
10 1GSQ - GDN C16 H19 N5 O10 S c1cc(c(cc1....
11 5H5L - GSH C10 H17 N3 O6 S C(CC(=O)N[....
12 5YWX Kd = 0.14 nM 93C C20 H17 N5 O2 c1ccnc(c1)....
13 2VD1 ic50 = 0.138 uM D28 C17 H13 F N2 O3 S Cc1cc(ccc1....
14 4EC0 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
15 5AIX Kd = 0.012 uM KRX C20 H22 F3 N3 O2 COc1cccc(c....
16 2CVD Kd = 0.8 uM HQL C22 H27 N5 O c1ccc(cc1)....
17 3VI7 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
18 4EDY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
19 4EE0 - GSF C10 H17 N3 O8 S C(CC(=O)N[....
20 5AIS Kd = 0.57 uM CWC C19 H22 N4 O CN(C)CCCC(....
21 2VCX ic50 = 0.021 uM D26 C12 H9 N3 S c1ccc(cc1)....
22 6W8H ic50 = 9.4 nM TJG C21 H27 N3 O2 CC(C)(C1CC....
23 3VI5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
24 5AIV Kd = 0.65 uM M1W C15 H16 N4 O3 COCCCNC(=O....
25 1V40 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
26 1IYI - GSH C10 H17 N3 O6 S C(CC(=O)N[....
27 6W58 ic50 = 3.9 nM SWS C21 H28 N4 O2 CC(C)(C1CC....
28 2VCW ic50 = 890 uM ZZA C10 H8 N2 O2 c1ccc(cc1)....
29 2VCZ - VC3 C9 H7 N3 O2 c1cc(ccc1c....
30 4EDZ - GSH C10 H17 N3 O6 S C(CC(=O)N[....
31 3EE2 ic50 ~ 65 uM NZO C14 H11 N3 O3 S COC(=O)Nc1....
32 1IYH - GSH C10 H17 N3 O6 S C(CC(=O)N[....
33 2VD0 ic50 = 11.6 uM D27 C18 H17 N O5 COc1ccc(cc....
34 6N4E ic50 = 9.9 nM KCD C20 H24 F2 N2 O3 CC(C)(C1CC....
35 2VCQ ic50 = 0.92 uM D25 C12 H9 N3 O c1ccc(cc1)....
36 1Q4J - GTX C16 H30 N3 O6 S CCCCCCSC[C....
37 1ZL9 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
38 3W8S - GSH C10 H17 N3 O6 S C(CC(=O)N[....
39 6N69 ic50 = 220000 nM KDV C10 H6 N2 c1ccc2c(c1....
40 1PD2 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GSH; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GSH 1 1
2 HCG 0.75 0.973684
3 HGS 0.730769 0.925
4 GSM 0.690909 0.878049
5 GDS 0.672727 0.837209
6 GS8 0.672727 0.840909
7 GTS 0.672727 0.660714
8 GSF 0.660714 0.72549
9 AHE 0.649123 0.9
10 3GC 0.645833 0.918919
11 HGD 0.637931 0.837209
12 GCG 0.6 0.860465
13 KGT 0.592593 0.923077
14 TGG 0.587302 0.9
15 BWS 0.581818 0.871795
16 TS5 0.573529 0.880952
17 0HH 0.528571 0.782609
18 GSB 0.528571 0.878049
19 KSN 0.528302 0.789474
20 GSO 0.521127 0.857143
21 BOB 0.493506 0.75
22 GTB 0.493333 0.631579
23 P9H 0.486842 0.857143
24 GBI 0.486842 0.782609
25 48T 0.481013 0.8
26 L9X 0.480519 0.62069
27 GTD 0.480519 0.6
28 ESG 0.480519 0.62069
29 1R4 0.474359 0.62069
30 GIP 0.474359 0.6
31 GPS 0.468354 0.72
32 GPR 0.468354 0.72
33 GBP 0.468354 0.6
34 GAZ 0.457831 0.679245
35 GVX 0.45679 0.8
36 HFV 0.447761 0.8
37 ASV 0.446154 0.9
38 GNB 0.445783 0.6
39 W05 0.444444 0.923077
40 VB1 0.444444 0.9
41 LZ6 0.436782 0.692308
42 ACV 0.430769 0.878049
43 BCV 0.424242 0.9
44 CDH 0.424242 0.818182
45 2G2 0.42029 0.615385
46 HGA 0.42 0.622222
47 M8F 0.411765 0.837209
48 MEQ 0.411765 0.658537
49 TS4 0.410256 0.804348
50 M9F 0.405797 0.837209
51 KKA 0.4 0.894737
52 M2W 0.4 0.8
53 ACW 0.4 0.8
Ligand no: 2; Ligand: KDV; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 KDV 1 1
2 4FS 0.456522 0.625
Similar Ligands (3D)
Ligand no: 1; Ligand: GSH; Similar ligands found: 5
No: Ligand Similarity coefficient
1 GSN 0.9495
2 MP2 0.9045
3 ALA ALA ALA ALA 0.8738
4 GGL CYW GLY 0.8570
5 DN8 0.8566
Ligand no: 2; Ligand: KDV; Similar ligands found: 1060
No: Ligand Similarity coefficient
1 N2I 0.9911
2 8ZE 0.9907
3 F9Y 0.9806
4 9R5 0.9787
5 0JD 0.9740
6 TSS 0.9734
7 2BG 0.9727
8 5XC 0.9687
9 R9Y 0.9667
10 2AQ 0.9663
11 1M2 0.9662
12 4BZ 0.9662
13 XIY 0.9658
14 H42 0.9658
15 15N 0.9658
16 JB5 0.9657
17 N8Y 0.9656
18 ES5 0.9654
19 E1T 0.9647
20 BZ3 0.9643
21 OCH 0.9635
22 03V 0.9630
23 KJU 0.9629
24 0TU 0.9624
25 5OB 0.9619
26 94W 0.9614
27 COU 0.9614
28 J6W 0.9602
29 4YO 0.9600
30 MR1 0.9600
31 2HQ 0.9592
32 MQN 0.9592
33 CWJ 0.9588
34 4JQ 0.9577
35 PNZ 0.9574
36 I3A 0.9573
37 ANN 0.9569
38 6NT 0.9566
39 5GU 0.9566
40 1P8 0.9562
41 SLS 0.9562
42 E5X 0.9557
43 1F1 0.9551
44 CLW 0.9550
45 BCU 0.9548
46 ES2 0.9545
47 9ZE 0.9534
48 RM1 0.9530
49 0HN 0.9527
50 36R 0.9524
51 5NI 0.9515
52 E7S 0.9515
53 92P 0.9502
54 K2T 0.9501
55 SNO 0.9497
56 VGD 0.9493
57 M4E 0.9491
58 15E 0.9490
59 C2Y 0.9474
60 F4E 0.9474
61 6VD 0.9474
62 GO2 0.9473
63 7HQ 0.9471
64 0HO 0.9471
65 2ZM 0.9471
66 BZ2 0.9471
67 ICB 0.9471
68 1P7 0.9470
69 2HU 0.9468
70 HA5 0.9467
71 JAW 0.9466
72 MEW 0.9465
73 CWS 0.9464
74 6KT 0.9461
75 KUF 0.9457
76 JDN 0.9455
77 SYV 0.9454
78 3NY 0.9450
79 H4N 0.9447
80 FBB 0.9446
81 3A9 0.9446
82 SKA 0.9446
83 FK1 0.9445
84 11S 0.9445
85 BPN 0.9445
86 MRW 0.9444
87 JB8 0.9443
88 6NI 0.9443
89 5VM 0.9442
90 2LY 0.9439
91 3MB 0.9433
92 RNO 0.9433
93 8NY 0.9428
94 OVM 0.9427
95 JAE 0.9427
96 4FA 0.9424
97 ESX 0.9421
98 ET2 0.9420
99 M6N 0.9420
100 SRO 0.9418
101 ES9 0.9417
102 TTL 0.9416
103 M2K 0.9416
104 ABI 0.9410
105 8WT 0.9410
106 3QV 0.9405
107 ESP 0.9404
108 5B1 0.9402
109 5WV 0.9400
110 CTL 0.9398
111 PH2 0.9397
112 M1Q 0.9397
113 GJP 0.9395
114 42A 0.9392
115 9FL 0.9392
116 4HM 0.9390
117 6FZ 0.9387
118 JND 0.9386
119 7W1 0.9385
120 8WO 0.9384
121 DIN 0.9383
122 XAZ 0.9381
123 5QY 0.9380
124 6RQ 0.9375
125 KYA 0.9374
126 8HC 0.9373
127 9CA 0.9373
128 PE0 0.9372
129 NIZ 0.9371
130 A7W 0.9370
131 AX7 0.9368
132 0P6 0.9366
133 AQO 0.9363
134 M5K 0.9361
135 AJ2 0.9359
136 BGC 0.9359
137 ABV 0.9356
138 GLC 0.9356
139 4JT 0.9354
140 0FN 0.9351
141 JA8 0.9347
142 44W 0.9347
143 Q24 0.9346
144 RD4 0.9344
145 J5I 0.9343
146 86J 0.9342
147 1HN 0.9342
148 HHR 0.9341
149 0FK 0.9338
150 OW4 0.9338
151 5MI 0.9337
152 LZM 0.9337
153 LDP 0.9337
154 KJH 0.9336
155 ISZ 0.9335
156 J9W 0.9334
157 IAC 0.9333
158 ZYR 0.9332
159 BHO 0.9331
160 A7H 0.9330
161 8W9 0.9330
162 EN1 0.9330
163 W81 0.9329
164 J9Q 0.9325
165 1IT 0.9324
166 BZJ 0.9324
167 717 0.9323
168 F60 0.9322
169 IWT 0.9322
170 5MB 0.9321
171 X0U 0.9319
172 AZ8 0.9318
173 3PF 0.9317
174 IV2 0.9316
175 4NM 0.9314
176 BZX 0.9312
177 J9N 0.9312
178 4TU 0.9311
179 5H1 0.9311
180 G3E 0.9311
181 I1E 0.9308
182 PXL 0.9308
183 4RU 0.9307
184 ODO 0.9306
185 14O 0.9305
186 D48 0.9303
187 PRF 0.9302
188 HDH 0.9301
189 4BL 0.9300
190 TGX 0.9300
191 12Q 0.9299
192 1A7 0.9298
193 3VX 0.9298
194 SE2 0.9297
195 OTW 0.9297
196 MS9 0.9297
197 8CM 0.9296
198 OW7 0.9296
199 ICO 0.9295
200 DQU 0.9294
201 MSR 0.9294
202 2K8 0.9294
203 428 0.9293
204 2K4 0.9292
205 7W4 0.9292
206 OTR 0.9291
207 7MX 0.9291
208 P92 0.9290
209 5JQ 0.9289
210 2EC 0.9288
211 5RN 0.9286
212 5QX 0.9286
213 TT4 0.9286
214 EUG 0.9286
215 2HC 0.9285
216 6AI 0.9282
217 4M0 0.9281
218 2MI 0.9280
219 N91 0.9278
220 YRL 0.9277
221 HQT 0.9277
222 XQ0 0.9277
223 FA0 0.9276
224 KKN 0.9274
225 DHR 0.9274
226 BHA 0.9273
227 4HC 0.9273
228 27B 0.9271
229 259 0.9270
230 GOJ 0.9268
231 XHP 0.9268
232 ESI 0.9268
233 9FE 0.9266
234 ISN 0.9266
235 QX4 0.9265
236 MVN 0.9264
237 0FO 0.9264
238 ES7 0.9262
239 CFI 0.9261
240 2FY 0.9259
241 OVP 0.9259
242 MAJ 0.9259
243 3Z8 0.9258
244 DOB 0.9257
245 3R6 0.9256
246 QBK 0.9255
247 B62 0.9253
248 TSR 0.9252
249 6ME 0.9252
250 5CU 0.9248
251 FUD 0.9248
252 1L5 0.9247
253 4ME 0.9246
254 PHB 0.9244
255 PEY 0.9243
256 5TY 0.9239
257 4BY 0.9238
258 SHA 0.9236
259 GCS 0.9236
260 4AA 0.9235
261 2FX 0.9234
262 5NU 0.9232
263 AN3 0.9230
264 EYV 0.9229
265 QWN 0.9229
266 7VS 0.9229
267 KT7 0.9228
268 12T 0.9225
269 NOJ 0.9222
270 173 0.9221
271 ARP 0.9219
272 APS 0.9216
273 4MU 0.9216
274 97T 0.9216
275 Z82 0.9215
276 174 0.9215
277 NDH 0.9212
278 HBD 0.9212
279 JYB 0.9212
280 AHR 0.9211
281 5RO 0.9210
282 DRG 0.9210
283 PQ0 0.9210
284 BEA 0.9210
285 PAB 0.9210
286 AJV 0.9208
287 KTW 0.9208
288 A29 0.9207
289 DNF 0.9206
290 URC 0.9206
291 NPO 0.9206
292 EA1 0.9204
293 3ZB 0.9204
294 UFO 0.9204
295 2FQ 0.9201
296 V1T 0.9201
297 J9T 0.9199
298 42J 0.9198
299 TH7 0.9198
300 75K 0.9197
301 DRL 0.9197
302 HMH 0.9197
303 JG8 0.9196
304 4WL 0.9195
305 8TX 0.9194
306 BK9 0.9191
307 HX4 0.9190
308 2AK 0.9188
309 270 0.9186
310 M0W 0.9186
311 MD6 0.9185
312 CH9 0.9184
313 B55 0.9181
314 44V 0.9181
315 SNU 0.9181
316 FDR 0.9180
317 QXW 0.9179
318 4MA 0.9179
319 BOA 0.9177
320 BSX 0.9176
321 SN4 0.9173
322 H4E 0.9171
323 2D0 0.9170
324 PHE 0.9170
325 UNJ 0.9169
326 4JC 0.9166
327 BTY 0.9164
328 KTJ 0.9164
329 YH7 0.9160
330 1DW 0.9160
331 5JL 0.9159
332 L22 0.9158
333 826 0.9158
334 4I8 0.9158
335 TPA 0.9158
336 CWM 0.9157
337 LT2 0.9157
338 FDB 0.9156
339 JLZ 0.9156
340 GNM 0.9154
341 DE5 0.9153
342 M1E 0.9152
343 4P5 0.9152
344 HC4 0.9152
345 3R4 0.9150
346 CLZ 0.9147
347 M0Q 0.9147
348 TYL 0.9146
349 JP2 0.9145
350 DHB 0.9145
351 HHS 0.9144
352 AEF 0.9144
353 8H8 0.9141
354 TZF 0.9141
355 52C 0.9141
356 DMD 0.9140
357 FBM 0.9140
358 5LA 0.9139
359 DEE 0.9138
360 LQ2 0.9137
361 KMY 0.9137
362 1XM 0.9136
363 PBZ 0.9136
364 M6Z 0.9133
365 PPY 0.9133
366 069 0.9132
367 92K 0.9130
368 PRZ 0.9130
369 AES 0.9129
370 CKA 0.9128
371 KOJ 0.9127
372 INO 0.9126
373 NAG 0.9126
374 TTY 0.9125
375 HQJ 0.9124
376 CPZ 0.9124
377 GTQ 0.9123
378 8IG 0.9122
379 4NB 0.9122
380 TXW 0.9121
381 SKF 0.9121
382 1Y6 0.9121
383 S0E 0.9121
384 YZM 0.9121
385 30G 0.9121
386 268 0.9119
387 7VP 0.9119
388 0CU 0.9118
389 0F9 0.9118
390 6AP 0.9118
391 3DM 0.9117
392 9DG 0.9116
393 AA 0.9115
394 68A 0.9113
395 PD2 0.9112
396 HBO 0.9111
397 AMH 0.9110
398 67N 0.9110
399 4KL 0.9110
400 XAN 0.9110
401 PBA 0.9110
402 G3F 0.9108
403 8XL 0.9107
404 FHC 0.9107
405 ANF 0.9106
406 V55 0.9106
407 XQG 0.9104
408 I3E 0.9104
409 4V2 0.9103
410 N1E 0.9102
411 P72 0.9102
412 PDC 0.9102
413 M1H 0.9102
414 VK3 0.9101
415 C1M 0.9101
416 ES0 0.9100
417 82I 0.9098
418 LNR 0.9097
419 5VL 0.9097
420 Q88 0.9096
421 8S0 0.9095
422 PEA 0.9095
423 3ID 0.9094
424 THA 0.9094
425 36M 0.9092
426 VXX 0.9092
427 4ZA 0.9091
428 1QP 0.9091
429 MWP 0.9091
430 363 0.9090
431 B57 0.9088
432 MAQ 0.9085
433 SX1 0.9085
434 NNO 0.9085
435 8OZ 0.9084
436 Y3L 0.9083
437 M1A 0.9082
438 P9E 0.9082
439 AZ9 0.9081
440 PIM 0.9081
441 7O4 0.9080
442 XM0 0.9080
443 APZ 0.9079
444 54G 0.9079
445 PKU 0.9079
446 A7N 0.9079
447 CK2 0.9077
448 RA7 0.9077
449 2F6 0.9074
450 BCP 0.9073
451 F31 0.9073
452 6QF 0.9072
453 MUA 0.9072
454 FHB 0.9072
455 4Z4 0.9070
456 IOS 0.9070
457 4LW 0.9068
458 GUN 0.9067
459 AZA 0.9066
460 795 0.9063
461 EVF 0.9063
462 QIV 0.9062
463 GAL 0.9062
464 7MU 0.9061
465 R8S 0.9061
466 NQ 0.9060
467 GZL 0.9060
468 209 0.9059
469 UAN 0.9058
470 KBZ 0.9057
471 F9P 0.9057
472 M4S 0.9053
473 JF1 0.9052
474 B60 0.9051
475 E7Z 0.9050
476 PJW 0.9050
477 258 0.9049
478 INE 0.9049
479 EUE 0.9047
480 FF2 0.9044
481 GO8 0.9043
482 7ME 0.9043
483 A2F 0.9043
484 HIS 0.9042
485 BIK 0.9041
486 2O6 0.9040
487 HQD 0.9040
488 6GU 0.9039
489 5M0 0.9037
490 4A3 0.9036
491 DHC 0.9036
492 M4T 0.9035
493 PHU 0.9035
494 261 0.9035
495 6N4 0.9033
496 TWO 0.9033
497 4NC 0.9032
498 B5D 0.9032
499 2KA 0.9030
500 P9P 0.9029
501 AOT 0.9027
502 PIY 0.9026
503 YPN 0.9025
504 C9E 0.9023
505 N2M 0.9023
506 3HM 0.9020
507 JF2 0.9020
508 NVU 0.9020
509 RXA 0.9018
510 VNL 0.9017
511 8NX 0.9016
512 H5B 0.9016
513 CHB 0.9015
514 6FB 0.9014
515 141 0.9014
516 0NX 0.9013
517 M5H 0.9012
518 8G0 0.9009
519 0N7 0.9009
520 DNA 0.9007
521 XX2 0.9006
522 A5E 0.9006
523 FQI 0.9005
524 NSP 0.9005
525 IGA 0.9003
526 FP1 0.9003
527 ROI 0.9003
528 G14 0.9002
529 NID 0.9000
530 FYU 0.9000
531 SOE 0.9000
532 5RG 0.8999
533 BNF 0.8998
534 GAB 0.8998
535 H7Y 0.8995
536 HX3 0.8995
537 ANC 0.8994
538 0W1 0.8992
539 TMG 0.8992
540 0BP 0.8991
541 2A9 0.8990
542 9MG 0.8989
543 L99 0.8986
544 K3Q 0.8986
545 MYJ 0.8984
546 14J 0.8983
547 4VY 0.8983
548 5MK 0.8982
549 2HO 0.8982
550 DX4 0.8982
551 K82 0.8982
552 NLA 0.8981
553 ASO 0.8980
554 93K 0.8979
555 PZI 0.8978
556 AC6 0.8977
557 R8V 0.8976
558 5WY 0.8976
559 3VQ 0.8976
560 CSN 0.8974
561 N7I 0.8974
562 H33 0.8973
563 TCA 0.8973
564 GXY 0.8972
565 XBT 0.8971
566 1KP 0.8970
567 B56 0.8969
568 45L 0.8969
569 B1J 0.8969
570 BPY 0.8967
571 ALE 0.8966
572 XDE 0.8966
573 F05 0.8965
574 3W8 0.8964
575 AZG 0.8963
576 61M 0.8963
577 R9S 0.8962
578 PH3 0.8962
579 QUZ 0.8961
580 F0J 0.8960
581 OA3 0.8960
582 6M9 0.8958
583 M78 0.8957
584 HBA 0.8957
585 DBH 0.8956
586 54X 0.8956
587 AJY 0.8954
588 OVV 0.8954
589 3BU 0.8954
590 0XT 0.8953
591 NFM 0.8952
592 D3G 0.8952
593 PO6 0.8951
594 0RW 0.8949
595 DIU 0.8949
596 MO8 0.8948
597 344 0.8948
598 5GT 0.8947
599 7B3 0.8946
600 3F0 0.8946
601 3AE 0.8945
602 SR1 0.8944
603 7B4 0.8942
604 HMU 0.8941
605 DBX 0.8940
606 7ZE 0.8937
607 3M0 0.8937
608 H8N 0.8935
609 XIZ 0.8933
610 3J8 0.8932
611 XCG 0.8931
612 FAN 0.8930
613 NPY 0.8930
614 BRT 0.8927
615 ZHA 0.8926
616 B53 0.8925
617 AMR 0.8925
618 ZZT 0.8925
619 AX3 0.8925
620 6M4 0.8925
621 ST3 0.8924
622 WCE 0.8924
623 36E 0.8923
624 DA4 0.8922
625 Z5P 0.8922
626 SOR 0.8920
627 DX3 0.8919
628 PZM 0.8919
629 4M4 0.8918
630 2JK 0.8917
631 IHB 0.8915
632 R20 0.8914
633 2ZQ 0.8913
634 TIU 0.8913
635 S7J 0.8912
636 IQ5 0.8912
637 NCT 0.8911
638 TSU 0.8911
639 4JE 0.8910
640 QWW 0.8910
641 ONR 0.8910
642 BNL 0.8910
643 ZZA 0.8909
644 ADZ 0.8908
645 HH5 0.8907
646 BDP 0.8907
647 3BZ 0.8906
648 EXD 0.8905
649 36Y 0.8904
650 9TZ 0.8904
651 G2F 0.8904
652 BQ2 0.8903
653 IOP 0.8903
654 CFP 0.8901
655 L5V 0.8901
656 IPB 0.8900
657 FBF 0.8898
658 Q71 0.8898
659 DGJ 0.8898
660 39O 0.8896
661 PYQ 0.8893
662 9TW 0.8892
663 DK1 0.8891
664 QSB 0.8891
665 5NE 0.8891
666 HSO 0.8891
667 ZBT 0.8891
668 ZZZ 0.8890
669 290 0.8890
670 2QC 0.8890
671 ODK 0.8887
672 GDE 0.8887
673 CXH 0.8886
674 QPR 0.8885
675 PUE 0.8885
676 GF4 0.8885
677 PAC 0.8883
678 QX2 0.8882
679 3HA 0.8880
680 2LP 0.8880
681 QMS 0.8880
682 HHI 0.8879
683 AKG 0.8878
684 AY4 0.8877
685 SAN 0.8876
686 EMZ 0.8876
687 DHY 0.8876
688 XDK 0.8875
689 N4E 0.8875
690 20J 0.8875
691 3NT 0.8874
692 FE DB1 0.8873
693 0W8 0.8873
694 0LH 0.8872
695 AEH 0.8872
696 GVY 0.8872
697 MPV 0.8871
698 9BF 0.8868
699 ASC 0.8867
700 XRG 0.8866
701 4ZC 0.8866
702 3HB 0.8862
703 TRP 0.8862
704 FCR 0.8861
705 4XF 0.8860
706 CIY 0.8860
707 1AL 0.8859
708 LR5 0.8859
709 JTH 0.8858
710 JU2 0.8857
711 E1P 0.8857
712 YTX 0.8857
713 NMJ 0.8856
714 N2Z 0.8855
715 3AB 0.8853
716 5HN 0.8851
717 ITE 0.8851
718 HNT 0.8851
719 8NB 0.8850
720 28N 0.8850
721 4MB 0.8848
722 24W 0.8848
723 DNC 0.8847
724 LPK 0.8847
725 CIT 0.8847
726 FCD 0.8846
727 G5V 0.8846
728 KJY 0.8846
729 4XS 0.8846
730 AZM 0.8846
731 GDL 0.8846
732 53C 0.8845
733 NDG 0.8845
734 OQC 0.8844
735 4JM 0.8843
736 HLR 0.8842
737 1NP 0.8839
738 BPU 0.8837
739 L14 0.8837
740 1LQ 0.8836
741 DVQ 0.8836
742 4VP 0.8836
743 1SQ 0.8835
744 SG2 0.8835
745 TOF 0.8834
746 FK8 0.8833
747 OK7 0.8831
748 9AP 0.8831
749 JBZ 0.8831
750 5XB 0.8831
751 K4V 0.8830
752 LGC 0.8830
753 1VK 0.8830
754 42C 0.8828
755 LDR 0.8828
756 5SG 0.8826
757 OAA 0.8826
758 DPZ 0.8825
759 SAL 0.8825
760 HRM 0.8824
761 2CK 0.8823
762 37T 0.8822
763 5Q0 0.8821
764 DBJ 0.8821
765 4XV 0.8821
766 7NI 0.8821
767 M3H 0.8820
768 X48 0.8819
769 CFA 0.8819
770 MWJ 0.8818
771 3IT 0.8817
772 GZ2 0.8816
773 GLA 0.8816
774 5IQ 0.8815
775 HQY 0.8815
776 SXS 0.8814
777 MZG 0.8814
778 G12 0.8813
779 7I2 0.8812
780 Q02 0.8812
781 091 0.8809
782 3XR 0.8808
783 4YS 0.8807
784 ZEC 0.8807
785 5JC 0.8807
786 P81 0.8807
787 KW8 0.8807
788 Q6T 0.8806
789 GLO 0.8806
790 JFJ 0.8805
791 QBM 0.8805
792 EV2 0.8803
793 F4K 0.8803
794 5GV 0.8800
795 PRY 0.8800
796 4NZ 0.8799
797 9EW 0.8799
798 S60 0.8795
799 27Y 0.8795
800 BGU 0.8793
801 RHU 0.8793
802 P7Y 0.8792
803 I2E 0.8791
804 4NP 0.8791
805 JBK 0.8790
806 7MW 0.8789
807 EV0 0.8788
808 F2W 0.8788
809 4J8 0.8787
810 3XX 0.8787
811 CTS 0.8787
812 IFP 0.8785
813 M45 0.8785
814 4CM 0.8785
815 K34 0.8784
816 GCO 0.8783
817 SKM 0.8783
818 NYL 0.8781
819 492 0.8780
820 ENO 0.8780
821 2GQ 0.8779
822 LEL 0.8778
823 O72 0.8778
824 4LV 0.8777
825 9UL 0.8775
826 IFL 0.8774
827 KIB 0.8773
828 EYK 0.8770
829 32X 0.8770
830 JPZ 0.8767
831 TH0 0.8767
832 AM4 0.8766
833 TCR 0.8766
834 ES1 0.8765
835 BP7 0.8765
836 N0Z 0.8762
837 3Z7 0.8761
838 AJ1 0.8760
839 3U4 0.8760
840 BR9 0.8756
841 ZYQ 0.8755
842 CKU 0.8755
843 N5J 0.8754
844 AC0 0.8754
845 MFZ 0.8753
846 X0V 0.8752
847 X0W 0.8751
848 55D 0.8750
849 C2U 0.8750
850 P80 0.8750
851 EGR 0.8749
852 X11 0.8749
853 PHH 0.8749
854 PRL 0.8748
855 NDM 0.8747
856 FLV 0.8747
857 R2P 0.8747
858 CXF 0.8746
859 HCI 0.8745
860 LI6 0.8744
861 SJK 0.8743
862 3DO 0.8741
863 6Q3 0.8739
864 BE2 0.8739
865 HHA 0.8739
866 OGA 0.8739
867 5WX 0.8739
868 PRA 0.8738
869 4FH 0.8735
870 9KT 0.8733
871 23A 0.8733
872 2AL 0.8732
873 5WT 0.8732
874 CN0 0.8731
875 MZM 0.8731
876 23J 0.8730
877 HPS 0.8728
878 5WZ 0.8727
879 MCT 0.8727
880 AMS 0.8726
881 AAS 0.8726
882 4HO 0.8726
883 IF7 0.8726
884 SWA 0.8724
885 4JJ 0.8723
886 N9J 0.8720
887 3VS 0.8720
888 QAT 0.8719
889 4SX 0.8718
890 UNC 0.8717
891 BA5 0.8717
892 RMN 0.8717
893 4CL 0.8716
894 TAG 0.8715
895 51R 0.8715
896 DIE 0.8714
897 Q7A 0.8714
898 E1K 0.8714
899 2CZ 0.8714
900 AKH 0.8713
901 K22 0.8713
902 2CQ 0.8713
903 LYL 0.8713
904 CUW 0.8712
905 FBS 0.8710
906 K17 0.8709
907 9NB 0.8709
908 NOY 0.8705
909 SW7 0.8705
910 5OO 0.8705
911 549 0.8704
912 1WG 0.8704
913 LL1 0.8704
914 BSP 0.8701
915 1FE 0.8701
916 3FH 0.8699
917 K32 0.8697
918 NGA 0.8697
919 1LM 0.8696
920 GHM 0.8694
921 RSV 0.8693
922 FQX 0.8692
923 5NS 0.8692
924 3WA 0.8690
925 Y8I 0.8688
926 JBE 0.8688
927 SVN 0.8688
928 5MH 0.8688
929 JZ2 0.8686
930 ES6 0.8682
931 226 0.8681
932 RB5 0.8680
933 PBN 0.8680
934 HHH 0.8680
935 4XH 0.8679
936 IL5 0.8678
937 HH8 0.8676
938 VM1 0.8674
939 XBZ 0.8674
940 ZME 0.8674
941 KTA 0.8674
942 DEW 0.8673
943 3OC 0.8673
944 CFF 0.8671
945 D2G 0.8670
946 TEP 0.8669
947 1MC 0.8667
948 FOT 0.8666
949 EKZ 0.8665
950 8MO 0.8665
951 5F5 0.8663
952 0R0 0.8663
953 X8D 0.8661
954 FGZ 0.8661
955 7FU 0.8660
956 BEN 0.8659
957 DYA 0.8656
958 LZ2 0.8655
959 JXK 0.8654
960 0GZ 0.8653
961 K37 0.8652
962 150 0.8651
963 XYL 0.8648
964 VOH 0.8646
965 SSC 0.8645
966 JBH 0.8644
967 F4Z 0.8642
968 QSH 0.8642
969 463 0.8639
970 TBS 0.8635
971 F12 0.8635
972 GJZ 0.8634
973 MWM 0.8633
974 HL4 0.8632
975 4SV 0.8632
976 2YU 0.8631
977 AJG 0.8631
978 XYD 0.8630
979 NCA 0.8630
980 BEZ 0.8630
981 EWG 0.8629
982 FH2 0.8629
983 680 0.8628
984 8K2 0.8627
985 2AC 0.8625
986 P3K 0.8625
987 RKV 0.8624
988 28S 0.8624
989 6BL 0.8623
990 AL0 0.8622
991 3VW 0.8622
992 TIY 0.8612
993 NIO 0.8612
994 BVA 0.8610
995 45C 0.8609
996 XI7 0.8608
997 DJN 0.8608
998 275 0.8607
999 ZB1 0.8607
1000 URF 0.8606
1001 92G 0.8605
1002 DEN 0.8605
1003 ALL 0.8604
1004 AEG 0.8604
1005 WOO 0.8603
1006 27K 0.8602
1007 4ZE 0.8601
1008 B40 0.8600
1009 A2G 0.8600
1010 34A 0.8599
1011 IDM 0.8596
1012 DPT 0.8593
1013 QUS 0.8593
1014 HLD 0.8589
1015 657 0.8589
1016 2MP 0.8586
1017 RBL 0.8586
1018 K8X 0.8585
1019 12B 0.8583
1020 PYD 0.8583
1021 ICP 0.8583
1022 EQT 0.8582
1023 0FR 0.8580
1024 JXN 0.8579
1025 JZ3 0.8579
1026 HT4 0.8578
1027 A1U 0.8578
1028 TC7 0.8577
1029 B21 0.8575
1030 IND 0.8574
1031 JKE 0.8574
1032 4HB 0.8573
1033 JRB 0.8571
1034 ZVO 0.8570
1035 C53 0.8568
1036 43M 0.8568
1037 TDR 0.8566
1038 JYT 0.8566
1039 FBW 0.8565
1040 IUR 0.8562
1041 G4D 0.8561
1042 OXC 0.8558
1043 K25 0.8557
1044 WBU 0.8556
1045 BZI 0.8556
1046 B85 0.8554
1047 DS0 0.8548
1048 MHK 0.8547
1049 1DV 0.8545
1050 JBQ 0.8544
1051 ZXD 0.8542
1052 NGT 0.8542
1053 MNM 0.8537
1054 TM7 0.8536
1055 RAT 0.8526
1056 LZ1 0.8526
1057 EE8 0.8521
1058 MPI 0.8515
1059 K6X 0.8515
1060 537 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6N69; Ligand: KDV; 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: 6n69.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6N69; Ligand: KDV; 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: 6n69.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6N69; Ligand: GSH; Similar sites found with APoc: 16
This union binding pocket(no: 3) in the query (biounit: 6n69.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1TU7 GSH 46.0396
2 1TU7 GSH 46.0396
3 2C4J GSO 46.5347
4 2C4J GSO 46.5347
5 1GSU GTX 46.5347
6 2C4J GSO 46.5347
7 3IE3 N11 47.5248
8 3IE3 GSH 47.5248
9 3IE3 N11 47.5248
10 3IE3 GSH 47.5248
11 2GSR GTS 47.5248
12 2GSR GTS 47.5248
13 1XW6 GSH 47.5248
14 1XW6 GSH 47.5248
15 1XW6 GSH 47.5248
16 1XW6 GSH 47.5248
17 3O76 GTB 50
18 3O76 GTB 50
Pocket No.: 4; Query (leader) PDB : 6N69; Ligand: GSH; Similar sites found with APoc: 18
This union binding pocket(no: 4) in the query (biounit: 6n69.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3ISO GSH 44.0594
2 3ISO GSH 44.0594
3 1TU7 GSH 46.0396
4 1TU7 GSH 46.0396
5 2C4J GSO 46.5347
6 2C4J GSO 46.5347
7 1GSU GTX 46.5347
8 2C4J GSO 46.5347
9 3IE3 GSH 47.5248
10 3IE3 N11 47.5248
11 3IE3 N11 47.5248
12 3IE3 GSH 47.5248
13 2GSR GTS 47.5248
14 2GSR GTS 47.5248
15 1XW6 GSH 47.5248
16 1XW6 GSH 47.5248
17 1XW6 GSH 47.5248
18 1XW6 GSH 47.5248
19 3O76 GTB 50
20 3O76 GTB 50
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