Receptor
PDB id Resolution Class Description Source Keywords
3L5P 1.8 Å EC: 5.3.2.1 CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR IMIDAZOPYRIDAZINOL INHIBITOR AT 1.80A RESOLUTION HOMO SAPIENS PROTEIN-LIGAND COMPLEX CYTOKINE CYTOPLASM IMMUNE RESPONSEINFLAMMATORY RESPONSE INNATE IMMUNITY ISOMERASE PHOSPHOPSECRETED ACETYLATION
Ref.: FRAGMENT SCREENING OF INHIBITORS FOR MIF TAUTOMERAS A CRYPTIC SURFACE BINDING SITE. BIOORG.MED.CHEM.LETT. V. 20 1821 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
428 A:123;
 Valid;
 none;
 submit data
177.203 C9 H11 N3 O CC(C)...
GOL A:124;
B:123;
C:123;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 B:124;
C:124;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L5R 1.94 Å EC: 5.3.2.1 CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR PHENYLCHROMENONE INHIBITOR AT 1.94A RESOLUTION HOMO SAPIENS PROTEIN-LIGAND COMPLEX CYTOKINE CYTOPLASM IMMUNE RESPONSEINFLAMMATORY RESPONSE INNATE IMMUNITY ISOMERASE PHOSPHOPSECRETED ACETYLATION
Ref.: FRAGMENT SCREENING OF INHIBITORS FOR MIF TAUTOMERAS A CRYPTIC SURFACE BINDING SITE. BIOORG.MED.CHEM.LETT. V. 20 1821 2010
Members (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1LJT ic50 = 7 uM HDI C12 H13 N O4 COC(=O)C[C....
2 3L5R ic50 = 38 nM 47X C15 H10 O5 c1cc(c(cc1....
3 5J7Q Ki = 26.6 uM 6H2 C13 H10 N2 O2 c1ccn2cc(n....
4 5HVT Kd = 0.055 uM NVS C15 H13 N O4 COc1ccc(cc....
5 5B4O - 6DQ C13 H8 N2 O S c1ccc2c(c1....
6 1GCZ Ki = 7.4 uM YZ9 C12 H10 O5 CCOC(=O)C1....
7 3L5P - 428 C9 H11 N3 O CC(C)c1cn2....
8 5HVS Kd = 0.071 uM 65V C24 H15 F N4 O4 c1cc(cc(c1....
9 6B1C Kd = 0.111 uM C9J C17 H12 F N5 O2 CN1C=Cc2cc....
10 3L5T - 956 C20 H18 N4 O2 S CN1c2ccccc....
11 3IJJ - EN1 C9 H8 O4 c1cc(ccc1/....
12 6CBG Ki = 113 uM EWG C10 H8 N2 O2 c1cc(cc(c1....
13 4K9G - 1Q1 C12 H12 F N O3 CC(=O)C[C@....
14 3IJG Kd = 54 uM AVR C13 H17 N3 O C[C@H](C(=....
15 4WRB Ki = 0.65 uM 3TW C20 H18 N4 O3 COCCOc1ccc....
16 1CA7 - ENO C9 H8 O4 c1cc(ccc1C....
17 2OOH ic50 = 1.3 uM OX3 C14 H17 N O3 c1cc(ccc1C....
18 2OOZ ic50 = 7 uM OX5 C13 H17 N O3 CC(C)(C)CC....
19 3DJI - 3E1 C16 H16 N2 O4 CC(=O)Nc1c....
20 6CBF Ki = 6.8 uM EWD C16 H12 N2 O3 c1ccc(cc1)....
21 3L5U - ZEC C7 H6 N2 O3 S2 c1cc2c(cc1....
22 6CB5 Ki = 4.3 uM EV7 C20 H14 N2 O3 c1ccc2cc(c....
23 6B1K Kd = 0.213 uM C9G C17 H13 N5 O2 CN1C=Cc2cc....
24 3L5S - 88X C15 H13 N3 O2 CCC1=CC(=O....
25 6CBH Ki = 0.51 uM EWJ C20 H13 F N2 O3 c1ccc2cc(c....
26 3U18 ic50 = 0.81 uM Y0X C34 H28 N6 O16 S4 COc1c(ccc(....
27 6B2C Kd = 0.094 uM C9Y C18 H12 F N5 O4 c1cc(c(cc1....
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1LJT ic50 = 7 uM HDI C12 H13 N O4 COC(=O)C[C....
2 3L5R ic50 = 38 nM 47X C15 H10 O5 c1cc(c(cc1....
3 5J7Q Ki = 26.6 uM 6H2 C13 H10 N2 O2 c1ccn2cc(n....
4 5HVT Kd = 0.055 uM NVS C15 H13 N O4 COc1ccc(cc....
5 5B4O - 6DQ C13 H8 N2 O S c1ccc2c(c1....
6 1GCZ Ki = 7.4 uM YZ9 C12 H10 O5 CCOC(=O)C1....
7 3L5P - 428 C9 H11 N3 O CC(C)c1cn2....
8 5HVS Kd = 0.071 uM 65V C24 H15 F N4 O4 c1cc(cc(c1....
9 6B1C Kd = 0.111 uM C9J C17 H12 F N5 O2 CN1C=Cc2cc....
10 3L5T - 956 C20 H18 N4 O2 S CN1c2ccccc....
11 3IJJ - EN1 C9 H8 O4 c1cc(ccc1/....
12 6CBG Ki = 113 uM EWG C10 H8 N2 O2 c1cc(cc(c1....
13 4K9G - 1Q1 C12 H12 F N O3 CC(=O)C[C@....
14 3IJG Kd = 54 uM AVR C13 H17 N3 O C[C@H](C(=....
15 4WRB Ki = 0.65 uM 3TW C20 H18 N4 O3 COCCOc1ccc....
16 1CA7 - ENO C9 H8 O4 c1cc(ccc1C....
17 2OOH ic50 = 1.3 uM OX3 C14 H17 N O3 c1cc(ccc1C....
18 2OOZ ic50 = 7 uM OX5 C13 H17 N O3 CC(C)(C)CC....
19 3DJI - 3E1 C16 H16 N2 O4 CC(=O)Nc1c....
20 6CBF Ki = 6.8 uM EWD C16 H12 N2 O3 c1ccc(cc1)....
21 3L5U - ZEC C7 H6 N2 O3 S2 c1cc2c(cc1....
22 6CB5 Ki = 4.3 uM EV7 C20 H14 N2 O3 c1ccc2cc(c....
23 6B1K Kd = 0.213 uM C9G C17 H13 N5 O2 CN1C=Cc2cc....
24 3L5S - 88X C15 H13 N3 O2 CCC1=CC(=O....
25 6CBH Ki = 0.51 uM EWJ C20 H13 F N2 O3 c1ccc2cc(c....
26 3U18 ic50 = 0.81 uM Y0X C34 H28 N6 O16 S4 COc1c(ccc(....
27 6B2C Kd = 0.094 uM C9Y C18 H12 F N5 O4 c1cc(c(cc1....
28 1MFI Ki = 2.6 uM FHC C9 H6 F O3 c1cc(ccc1C....
50% Homology Family (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1LJT ic50 = 7 uM HDI C12 H13 N O4 COC(=O)C[C....
2 3L5R ic50 = 38 nM 47X C15 H10 O5 c1cc(c(cc1....
3 5J7Q Ki = 26.6 uM 6H2 C13 H10 N2 O2 c1ccn2cc(n....
4 5HVT Kd = 0.055 uM NVS C15 H13 N O4 COc1ccc(cc....
5 5B4O - 6DQ C13 H8 N2 O S c1ccc2c(c1....
6 1GCZ Ki = 7.4 uM YZ9 C12 H10 O5 CCOC(=O)C1....
7 3L5P - 428 C9 H11 N3 O CC(C)c1cn2....
8 5HVS Kd = 0.071 uM 65V C24 H15 F N4 O4 c1cc(cc(c1....
9 6B1C Kd = 0.111 uM C9J C17 H12 F N5 O2 CN1C=Cc2cc....
10 3L5T - 956 C20 H18 N4 O2 S CN1c2ccccc....
11 3IJJ - EN1 C9 H8 O4 c1cc(ccc1/....
12 6CBG Ki = 113 uM EWG C10 H8 N2 O2 c1cc(cc(c1....
13 4K9G - 1Q1 C12 H12 F N O3 CC(=O)C[C@....
14 3IJG Kd = 54 uM AVR C13 H17 N3 O C[C@H](C(=....
15 4WRB Ki = 0.65 uM 3TW C20 H18 N4 O3 COCCOc1ccc....
16 1CA7 - ENO C9 H8 O4 c1cc(ccc1C....
17 2OOH ic50 = 1.3 uM OX3 C14 H17 N O3 c1cc(ccc1C....
18 2OOZ ic50 = 7 uM OX5 C13 H17 N O3 CC(C)(C)CC....
19 3DJI - 3E1 C16 H16 N2 O4 CC(=O)Nc1c....
20 6CBF Ki = 6.8 uM EWD C16 H12 N2 O3 c1ccc(cc1)....
21 3L5U - ZEC C7 H6 N2 O3 S2 c1cc2c(cc1....
22 6CB5 Ki = 4.3 uM EV7 C20 H14 N2 O3 c1ccc2cc(c....
23 6B1K Kd = 0.213 uM C9G C17 H13 N5 O2 CN1C=Cc2cc....
24 3L5S - 88X C15 H13 N3 O2 CCC1=CC(=O....
25 6CBH Ki = 0.51 uM EWJ C20 H13 F N2 O3 c1ccc2cc(c....
26 3U18 ic50 = 0.81 uM Y0X C34 H28 N6 O16 S4 COc1c(ccc(....
27 6B2C Kd = 0.094 uM C9Y C18 H12 F N5 O4 c1cc(c(cc1....
28 4Q3F - TLA C4 H6 O6 [C@@H]([C@....
29 6C5F Ki = 33 uM 7L9 C14 H9 N O6 c1cc(cc(c1....
30 3RF5 Ki = 2.37 uM FUZ C12 H11 N O3 c1ccc(c(c1....
31 3RF4 Ki = 0.56 uM FUN C12 H11 Cl N2 O5 S c1cc(oc1)C....
32 1MFI Ki = 2.6 uM FHC C9 H6 F O3 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 428; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 428 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 428; Similar ligands found: 970
No: Ligand Similarity coefficient
1 BZ2 0.9874
2 4BL 0.9834
3 UNJ 0.9830
4 4BY 0.9809
5 3ZB 0.9765
6 ESP 0.9682
7 ESX 0.9668
8 ICB 0.9663
9 6FZ 0.9655
10 J6W 0.9628
11 9ZE 0.9626
12 15N 0.9616
13 1F1 0.9614
14 8NX 0.9612
15 6NT 0.9602
16 JB8 0.9576
17 0HO 0.9570
18 JDN 0.9569
19 0HN 0.9568
20 0JD 0.9565
21 E1T 0.9564
22 4I8 0.9553
23 2ZM 0.9551
24 1M2 0.9548
25 6KT 0.9539
26 ZEC 0.9534
27 4WL 0.9534
28 3A9 0.9522
29 6FB 0.9515
30 ABI 0.9513
31 LQ2 0.9511
32 ESI 0.9499
33 6NI 0.9498
34 5NI 0.9496
35 2HU 0.9496
36 5LA 0.9493
37 12T 0.9485
38 E7S 0.9476
39 36E 0.9472
40 TYL 0.9471
41 3NY 0.9471
42 SNO 0.9464
43 4P5 0.9459
44 F4E 0.9452
45 PPY 0.9449
46 QIV 0.9446
47 8NB 0.9443
48 3R4 0.9443
49 KTW 0.9443
50 1L5 0.9442
51 EVF 0.9438
52 P9E 0.9436
53 27B 0.9433
54 P80 0.9433
55 AMH 0.9427
56 K97 0.9423
57 4NB 0.9421
58 2HC 0.9420
59 9FL 0.9413
60 XCG 0.9413
61 J9N 0.9403
62 N91 0.9403
63 N2I 0.9400
64 GJP 0.9398
65 RNO 0.9397
66 EXD 0.9396
67 9CA 0.9392
68 JBZ 0.9391
69 4ZA 0.9391
70 4RU 0.9389
71 PNZ 0.9385
72 363 0.9384
73 3VX 0.9384
74 Y3L 0.9383
75 S0E 0.9382
76 1HN 0.9372
77 NAG 0.9370
78 XIY 0.9370
79 1IT 0.9367
80 BPN 0.9365
81 TT4 0.9363
82 EUE 0.9361
83 8ZE 0.9360
84 9R5 0.9356
85 MAJ 0.9356
86 FBB 0.9356
87 X0U 0.9354
88 AN3 0.9350
89 PH2 0.9347
90 IWT 0.9344
91 A7N 0.9343
92 1A7 0.9343
93 8WO 0.9342
94 4NZ 0.9341
95 KJU 0.9337
96 L22 0.9335
97 MSR 0.9331
98 ANN 0.9330
99 4JQ 0.9328
100 CWJ 0.9326
101 BPY 0.9325
102 ET2 0.9323
103 TCA 0.9321
104 HC4 0.9319
105 IOS 0.9318
106 5GT 0.9316
107 2BG 0.9316
108 BZ3 0.9312
109 XIZ 0.9311
110 BZJ 0.9303
111 MQN 0.9302
112 K2T 0.9301
113 TMG 0.9300
114 5OB 0.9300
115 5XC 0.9300
116 344 0.9299
117 94W 0.9297
118 HQJ 0.9295
119 M4S 0.9293
120 KDV 0.9293
121 HHS 0.9293
122 XDK 0.9292
123 F9Y 0.9290
124 15E 0.9289
125 L14 0.9288
126 5TY 0.9285
127 ES2 0.9285
128 JAW 0.9279
129 A5E 0.9274
130 R9Y 0.9273
131 8XL 0.9273
132 GO2 0.9269
133 SKF 0.9268
134 9FE 0.9264
135 5GU 0.9264
136 JG8 0.9263
137 IAC 0.9261
138 MPV 0.9261
139 A7H 0.9261
140 E5X 0.9259
141 5VM 0.9257
142 6RQ 0.9257
143 8WT 0.9254
144 CLW 0.9253
145 FBF 0.9253
146 HRM 0.9252
147 0TU 0.9252
148 N2M 0.9250
149 SNU 0.9243
150 3QV 0.9242
151 4YO 0.9242
152 68A 0.9240
153 259 0.9239
154 61M 0.9238
155 717 0.9238
156 INO 0.9238
157 V1T 0.9237
158 NDG 0.9235
159 L99 0.9234
160 3AE 0.9234
161 TZF 0.9234
162 P81 0.9231
163 4NM 0.9229
164 36R 0.9224
165 AOT 0.9221
166 VGD 0.9220
167 4XF 0.9219
168 BQ2 0.9218
169 S7J 0.9217
170 AX3 0.9212
171 A29 0.9211
172 CPZ 0.9205
173 GO8 0.9202
174 3W8 0.9201
175 LSQ 0.9200
176 5QY 0.9200
177 LR5 0.9199
178 LNR 0.9198
179 6QF 0.9198
180 0W1 0.9197
181 AM4 0.9197
182 GZ2 0.9196
183 JP2 0.9195
184 BTY 0.9195
185 ALE 0.9194
186 4V2 0.9193
187 N1E 0.9192
188 EN1 0.9191
189 QUS 0.9188
190 R20 0.9186
191 7MU 0.9184
192 ARP 0.9184
193 HHR 0.9181
194 8TX 0.9181
195 PO6 0.9181
196 HX4 0.9180
197 1P8 0.9180
198 SLS 0.9178
199 7MW 0.9178
200 TYE 0.9178
201 4CM 0.9177
202 0BP 0.9174
203 DHB 0.9173
204 PRL 0.9173
205 ENO 0.9173
206 HA5 0.9172
207 36Y 0.9170
208 N3W 0.9170
209 BNL 0.9167
210 YZM 0.9167
211 I3E 0.9166
212 URC 0.9166
213 8HC 0.9165
214 B55 0.9165
215 KMY 0.9163
216 PJW 0.9162
217 2O6 0.9160
218 TSR 0.9159
219 0FK 0.9159
220 4BZ 0.9158
221 L5V 0.9158
222 MR1 0.9158
223 8W9 0.9155
224 HDH 0.9152
225 LDP 0.9151
226 7VP 0.9150
227 TGX 0.9146
228 CFA 0.9145
229 YTX 0.9143
230 CXH 0.9143
231 CH9 0.9143
232 AJY 0.9142
233 B62 0.9141
234 QBK 0.9140
235 JND 0.9138
236 2K8 0.9138
237 J9T 0.9136
238 FF2 0.9135
239 C82 0.9135
240 JA8 0.9134
241 ANC 0.9133
242 3PF 0.9133
243 86J 0.9133
244 DHR 0.9131
245 ANF 0.9127
246 D48 0.9127
247 5RO 0.9127
248 3VS 0.9126
249 TYR 0.9125
250 RKV 0.9124
251 FDR 0.9122
252 H7Y 0.9122
253 GNM 0.9122
254 J5I 0.9121
255 IOP 0.9120
256 EYV 0.9117
257 G3E 0.9116
258 SE2 0.9115
259 7ME 0.9113
260 DHC 0.9110
261 APS 0.9109
262 YRL 0.9106
263 92P 0.9106
264 NNO 0.9105
265 FHC 0.9105
266 93K 0.9103
267 7O4 0.9103
268 BIK 0.9103
269 BGU 0.9102
270 AA 0.9101
271 8U3 0.9098
272 8IG 0.9098
273 SYV 0.9096
274 2EC 0.9094
275 N8Y 0.9094
276 KW8 0.9094
277 K4V 0.9094
278 PH3 0.9093
279 JLZ 0.9093
280 4A3 0.9091
281 4NC 0.9091
282 2HO 0.9087
283 BP7 0.9086
284 FHB 0.9083
285 ES5 0.9083
286 LTT 0.9082
287 0NX 0.9080
288 2HQ 0.9079
289 S60 0.9078
290 M4E 0.9077
291 4NS 0.9076
292 C2Y 0.9072
293 03V 0.9072
294 1QP 0.9072
295 OTW 0.9072
296 44V 0.9072
297 2FQ 0.9070
298 H42 0.9070
299 069 0.9070
300 AEF 0.9070
301 4FS 0.9070
302 36M 0.9069
303 F4K 0.9068
304 HCI 0.9067
305 3HM 0.9067
306 92G 0.9066
307 SN4 0.9065
308 5OO 0.9065
309 OOG 0.9064
310 CHB 0.9064
311 4JE 0.9063
312 PFF 0.9062
313 FQX 0.9062
314 OTR 0.9061
315 PEY 0.9061
316 HPP 0.9055
317 2AQ 0.9054
318 78Y 0.9053
319 XHP 0.9053
320 GWM 0.9053
321 HIC 0.9052
322 0FN 0.9052
323 0XT 0.9051
324 6TZ 0.9050
325 IHB 0.9050
326 2F6 0.9049
327 SG2 0.9049
328 45L 0.9048
329 CSN 0.9047
330 P9P 0.9045
331 GVY 0.9045
332 BVA 0.9045
333 42J 0.9043
334 2FY 0.9043
335 3TC 0.9043
336 GF4 0.9043
337 D3G 0.9041
338 XX2 0.9041
339 MS9 0.9041
340 QX4 0.9040
341 5JL 0.9040
342 AZM 0.9040
343 OW7 0.9039
344 H4E 0.9038
345 5GV 0.9038
346 PPT 0.9038
347 268 0.9037
348 6ME 0.9037
349 YPN 0.9036
350 KBZ 0.9034
351 X48 0.9031
352 4NP 0.9031
353 LEL 0.9027
354 GVG 0.9027
355 PIM 0.9025
356 ODO 0.9023
357 GDL 0.9023
358 JTH 0.9022
359 IQ5 0.9022
360 ZYR 0.9022
361 PIY 0.9022
362 K25 0.9020
363 RD4 0.9018
364 MVN 0.9018
365 86L 0.9017
366 OCH 0.9016
367 IV2 0.9014
368 549 0.9014
369 492 0.9013
370 795 0.9013
371 HHI 0.9013
372 DQU 0.9012
373 44W 0.9012
374 S0W 0.9010
375 DRG 0.9010
376 MYJ 0.9010
377 9BF 0.9008
378 DEW 0.9008
379 JB5 0.9006
380 0UL 0.9005
381 A5P 0.9004
382 MRW 0.9003
383 PHE 0.9002
384 PZM 0.9000
385 COU 0.9000
386 AES 0.9000
387 AX7 0.8999
388 OVM 0.8999
389 DE5 0.8997
390 ONR 0.8997
391 30G 0.8997
392 HNK 0.8996
393 HNL 0.8996
394 PHB 0.8995
395 F31 0.8995
396 0FO 0.8995
397 ABV 0.8995
398 F2W 0.8991
399 75K 0.8990
400 P7Y 0.8989
401 DNF 0.8988
402 2D2 0.8988
403 DJN 0.8987
404 QSB 0.8986
405 X0V 0.8986
406 XDE 0.8986
407 Z13 0.8985
408 KTA 0.8985
409 173 0.8983
410 4FF 0.8983
411 4AA 0.8982
412 4TU 0.8982
413 FK8 0.8981
414 M3H 0.8980
415 258 0.8978
416 PNP 0.8978
417 2FX 0.8978
418 3R6 0.8978
419 PAB 0.8977
420 Z82 0.8975
421 1Z6 0.8973
422 9TW 0.8971
423 3BU 0.8971
424 SQV 0.8970
425 IFP 0.8970
426 5JQ 0.8970
427 QBM 0.8970
428 AC6 0.8969
429 H5B 0.8966
430 TRP 0.8965
431 QMS 0.8965
432 AJG 0.8965
433 M4T 0.8963
434 1FD 0.8961
435 G14 0.8961
436 BZE 0.8959
437 VNL 0.8959
438 LPK 0.8958
439 MAH 0.8957
440 657 0.8956
441 PHU 0.8955
442 JCZ 0.8954
443 VM1 0.8954
444 N4E 0.8953
445 FUD 0.8953
446 NFA 0.8952
447 MXD 0.8952
448 PUE 0.8952
449 CK1 0.8951
450 QME 0.8949
451 ZZA 0.8948
452 EKZ 0.8946
453 HBO 0.8945
454 BIO 0.8945
455 CK2 0.8941
456 SSC 0.8941
457 FA1 0.8939
458 4MU 0.8939
459 2BX 0.8938
460 HNT 0.8938
461 54X 0.8935
462 HJ7 0.8932
463 TAG 0.8932
464 5F5 0.8931
465 JRB 0.8931
466 THA 0.8931
467 P72 0.8930
468 PRA 0.8929
469 ISZ 0.8929
470 DVQ 0.8929
471 A7Q 0.8929
472 ODK 0.8928
473 AMR 0.8928
474 14W 0.8927
475 E3X 0.8927
476 SRO 0.8927
477 ST3 0.8925
478 M78 0.8924
479 5WV 0.8922
480 CWM 0.8921
481 BBK 0.8921
482 I2E 0.8921
483 VC3 0.8920
484 F02 0.8920
485 DHK 0.8919
486 270 0.8919
487 1KP 0.8919
488 3XR 0.8919
489 ZME 0.8918
490 VXX 0.8918
491 HIS 0.8917
492 J9Q 0.8917
493 TSS 0.8917
494 4MB 0.8917
495 MD6 0.8917
496 EE8 0.8915
497 7W1 0.8915
498 TXW 0.8914
499 ZHA 0.8913
500 PBA 0.8912
501 CKA 0.8912
502 ALX 0.8911
503 BNF 0.8911
504 5RP 0.8909
505 NGA 0.8909
506 EA1 0.8908
507 OW4 0.8908
508 NIZ 0.8907
509 2QC 0.8907
510 AAN 0.8907
511 PBZ 0.8906
512 5RN 0.8905
513 NPO 0.8904
514 4LW 0.8903
515 92K 0.8902
516 0F9 0.8900
517 CFI 0.8899
518 BHO 0.8899
519 HBI 0.8899
520 SWX 0.8898
521 GDE 0.8898
522 4ME 0.8897
523 ASC 0.8894
524 DPN 0.8894
525 KTJ 0.8893
526 GXY 0.8892
527 ZSP 0.8892
528 ES0 0.8891
529 LGT 0.8890
530 6L6 0.8889
531 DHY 0.8888
532 X0W 0.8888
533 NYL 0.8887
534 WS7 0.8887
535 HBD 0.8886
536 3N1 0.8886
537 SYE 0.8886
538 3HG 0.8885
539 39O 0.8885
540 AEG 0.8885
541 KOJ 0.8885
542 QBP 0.8884
543 EV0 0.8883
544 N0Z 0.8882
545 4SX 0.8880
546 6VD 0.8880
547 DTY 0.8880
548 BEA 0.8879
549 3VQ 0.8877
550 5VL 0.8877
551 RA7 0.8876
552 9NB 0.8875
553 9FH 0.8875
554 9UL 0.8875
555 7MX 0.8874
556 AMS 0.8874
557 ABF 0.8874
558 AEH 0.8874
559 HHH 0.8874
560 MUA 0.8873
561 2KA 0.8873
562 97T 0.8872
563 FK1 0.8872
564 6ZW 0.8870
565 URO 0.8869
566 2GQ 0.8869
567 5TZ 0.8869
568 M45 0.8868
569 M1Z 0.8868
570 M3E 0.8865
571 N9J 0.8864
572 826 0.8864
573 X11 0.8863
574 DPT 0.8863
575 GOJ 0.8861
576 4VY 0.8860
577 FA0 0.8859
578 ICO 0.8859
579 CLZ 0.8857
580 TTL 0.8856
581 I1E 0.8856
582 KUF 0.8856
583 4M0 0.8856
584 3J8 0.8855
585 CN0 0.8854
586 K34 0.8853
587 9H2 0.8853
588 80G 0.8851
589 4JC 0.8850
590 EUG 0.8850
591 XM0 0.8850
592 K7H 0.8848
593 PKU 0.8848
594 4XV 0.8847
595 RCV 0.8846
596 LT2 0.8846
597 S0G 0.8846
598 4XS 0.8844
599 0LO 0.8843
600 HSX 0.8843
601 4MA 0.8842
602 1VK 0.8842
603 HQD 0.8841
604 6J9 0.8841
605 PQ0 0.8840
606 H4B 0.8840
607 3YP 0.8840
608 SW7 0.8840
609 I3A 0.8840
610 BHA 0.8839
611 KT7 0.8839
612 SKM 0.8839
613 4FH 0.8838
614 FZM 0.8837
615 BHQ 0.8837
616 7W4 0.8837
617 6DP 0.8836
618 ST2 0.8836
619 0N7 0.8835
620 3C4 0.8834
621 YOF 0.8834
622 FCW 0.8834
623 K82 0.8834
624 4JT 0.8833
625 7AP 0.8832
626 AY4 0.8832
627 DOB 0.8831
628 174 0.8831
629 NCT 0.8830
630 1Y6 0.8830
631 833 0.8830
632 EWG 0.8830
633 5F8 0.8829
634 W81 0.8829
635 4LV 0.8829
636 JA5 0.8829
637 A5H 0.8828
638 OQC 0.8828
639 CWS 0.8827
640 HL4 0.8827
641 KYA 0.8827
642 6ZX 0.8826
643 27K 0.8826
644 0SY 0.8826
645 IFL 0.8825
646 JF2 0.8823
647 KJH 0.8823
648 KYN 0.8822
649 PD2 0.8822
650 DEE 0.8822
651 NF3 0.8822
652 BGC 0.8821
653 RP3 0.8820
654 EV2 0.8820
655 PBN 0.8819
656 K37 0.8818
657 SAN 0.8817
658 CTL 0.8816
659 AKG 0.8816
660 EZL 0.8814
661 DMD 0.8814
662 2HG 0.8811
663 AH9 0.8811
664 54Z 0.8811
665 505 0.8811
666 DAH 0.8811
667 B1J 0.8810
668 ES7 0.8810
669 5H6 0.8810
670 PDC 0.8809
671 DX3 0.8809
672 DDU 0.8806
673 1X4 0.8805
674 PLP 0.8805
675 HBA 0.8804
676 UFO 0.8804
677 TIH 0.8804
678 12Q 0.8802
679 3DM 0.8802
680 4XR 0.8802
681 Q88 0.8801
682 FBS 0.8801
683 1QV 0.8799
684 PHI 0.8799
685 FCD 0.8798
686 PRZ 0.8798
687 FCR 0.8798
688 5NU 0.8797
689 SHA 0.8797
690 E7Z 0.8794
691 4J8 0.8794
692 2D0 0.8794
693 SQ7 0.8794
694 AJV 0.8793
695 JAE 0.8793
696 RAT 0.8792
697 5QX 0.8791
698 H2B 0.8790
699 2WU 0.8789
700 MZM 0.8789
701 HQT 0.8788
702 CS2 0.8786
703 0P6 0.8786
704 E3D 0.8786
705 5CU 0.8785
706 A2G 0.8785
707 QSH 0.8785
708 C53 0.8783
709 4AB 0.8780
710 11S 0.8780
711 ROI 0.8780
712 E0O 0.8779
713 AZ9 0.8778
714 FER 0.8778
715 ZYQ 0.8776
716 DZA 0.8776
717 SKA 0.8775
718 SOE 0.8775
719 535 0.8774
720 GHM 0.8773
721 1A5 0.8773
722 D2G 0.8772
723 Q71 0.8771
724 H4N 0.8771
725 TSU 0.8769
726 FGZ 0.8768
727 6E8 0.8768
728 E4P 0.8766
729 3Y7 0.8766
730 LDC 0.8766
731 ZYX 0.8766
732 Q24 0.8766
733 FTV 0.8764
734 4HC 0.8764
735 L03 0.8763
736 M2K 0.8763
737 ZXD 0.8763
738 TZM 0.8763
739 CIY 0.8763
740 QMR 0.8762
741 GJZ 0.8762
742 HSO 0.8761
743 N7I 0.8761
744 QWN 0.8759
745 B4O 0.8759
746 LR8 0.8756
747 K44 0.8756
748 E1K 0.8756
749 H33 0.8754
750 STT 0.8753
751 R8V 0.8753
752 JTA 0.8752
753 3HP 0.8752
754 DEZ 0.8751
755 GAB 0.8751
756 5B2 0.8751
757 4KL 0.8751
758 E35 0.8750
759 4HB 0.8750
760 5E5 0.8749
761 EGR 0.8749
762 1XA 0.8748
763 8MO 0.8747
764 J9W 0.8744
765 B5D 0.8744
766 PAC 0.8744
767 8NY 0.8743
768 OGA 0.8743
769 CIT 0.8742
770 4HM 0.8742
771 TCR 0.8742
772 5MI 0.8741
773 KKN 0.8741
774 NDH 0.8741
775 INE 0.8741
776 TPA 0.8738
777 6HO 0.8738
778 ES9 0.8738
779 4FA 0.8736
780 PMP 0.8736
781 TR4 0.8735
782 NOJ 0.8735
783 H8N 0.8734
784 PFL 0.8734
785 8D6 0.8733
786 S98 0.8733
787 AJ2 0.8732
788 ADA 0.8732
789 DHS 0.8731
790 152 0.8731
791 F60 0.8731
792 R2P 0.8731
793 GZL 0.8730
794 GNV 0.8730
795 PRF 0.8730
796 IF7 0.8729
797 GCU 0.8729
798 O2A 0.8728
799 GLO 0.8728
800 5SP 0.8727
801 M5K 0.8726
802 0FR 0.8726
803 AQO 0.8725
804 209 0.8724
805 FLC 0.8724
806 FBM 0.8722
807 3VW 0.8721
808 2JK 0.8721
809 TTY 0.8721
810 ZRK 0.8721
811 A6P 0.8720
812 JMG 0.8719
813 ISN 0.8719
814 TH7 0.8718
815 CCU 0.8717
816 G6P 0.8716
817 BPU 0.8715
818 6AI 0.8714
819 4Z4 0.8713
820 RUY 0.8713
821 2AL 0.8712
822 PXL 0.8712
823 CNI 0.8712
824 JF1 0.8711
825 PE0 0.8711
826 6HP 0.8711
827 AHR 0.8711
828 4VP 0.8709
829 5H1 0.8707
830 DHI 0.8706
831 RVE 0.8705
832 LZ5 0.8705
833 EMZ 0.8704
834 KF5 0.8704
835 5WT 0.8703
836 DGJ 0.8703
837 2K4 0.8703
838 K7M 0.8702
839 M1Q 0.8702
840 F0J 0.8700
841 1P7 0.8699
842 XRG 0.8698
843 14O 0.8698
844 SOR 0.8697
845 QMP 0.8697
846 HNM 0.8697
847 6MW 0.8696
848 0OK 0.8695
849 M6Z 0.8694
850 5MB 0.8694
851 60L 0.8694
852 8G0 0.8693
853 G12 0.8692
854 GLC 0.8690
855 3Z8 0.8687
856 RBJ 0.8687
857 PQK 0.8686
858 ZZZ 0.8684
859 DC5 0.8683
860 56D 0.8682
861 BZX 0.8681
862 DXK 0.8681
863 2CZ 0.8681
864 F1X 0.8680
865 SR1 0.8680
866 54E 0.8679
867 IL5 0.8679
868 ASO 0.8677
869 2PV 0.8677
870 4G2 0.8672
871 0J4 0.8670
872 BDP 0.8670
873 DBH 0.8669
874 4HP 0.8669
875 AZ8 0.8669
876 CC5 0.8668
877 BZQ 0.8667
878 QIC 0.8665
879 CTE 0.8665
880 NOY 0.8664
881 8H8 0.8663
882 KLV 0.8662
883 HNH 0.8662
884 GAL 0.8660
885 IPD 0.8660
886 L13 0.8658
887 DCZ 0.8657
888 FA3 0.8656
889 PZI 0.8656
890 XI7 0.8651
891 MMS 0.8646
892 BY5 0.8644
893 UFV 0.8644
894 28N 0.8644
895 1ZC 0.8639
896 5XB 0.8639
897 URS 0.8638
898 46P 0.8636
899 FWD 0.8635
900 FP1 0.8635
901 GB5 0.8632
902 FDB 0.8632
903 Z5P 0.8630
904 PEA 0.8630
905 XXP 0.8629
906 DNA 0.8628
907 V55 0.8626
908 53C 0.8625
909 F9P 0.8625
910 3HB 0.8625
911 L15 0.8624
912 DBS 0.8624
913 2J1 0.8624
914 AJ1 0.8623
915 WCE 0.8621
916 ZZT 0.8621
917 R9J 0.8620
918 B85 0.8620
919 JYB 0.8620
920 OVV 0.8619
921 3NT 0.8617
922 IPB 0.8611
923 3C5 0.8611
924 OMD 0.8610
925 B56 0.8608
926 6X9 0.8607
927 RM1 0.8606
928 7I2 0.8603
929 0J5 0.8603
930 MS0 0.8603
931 PQS 0.8603
932 KJY 0.8602
933 2GS 0.8601
934 1WC 0.8601
935 261 0.8599
936 67N 0.8599
937 A5Q 0.8598
938 KMH 0.8596
939 K3Q 0.8595
940 7ZL 0.8593
941 92O 0.8591
942 FYR 0.8590
943 1PS 0.8588
944 8OZ 0.8588
945 OA1 0.8587
946 Q02 0.8586
947 HMH 0.8586
948 3SU 0.8583
949 WS6 0.8578
950 3HA 0.8578
951 GB4 0.8577
952 JAH 0.8575
953 3PG 0.8569
954 DNC 0.8568
955 LIP 0.8567
956 EVA 0.8567
957 ARG 0.8565
958 0W8 0.8565
959 0F3 0.8561
960 NLA 0.8561
961 MEV 0.8560
962 S7S 0.8560
963 4CN 0.8556
964 2UZ 0.8552
965 L1T 0.8550
966 7UC 0.8548
967 5V7 0.8542
968 SSB 0.8537
969 PIQ 0.8534
970 3M0 0.8533
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L5R; Ligand: 47X; 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: 3l5r.bio1) has 79 residues
No: Leader PDB Ligand Sequence Similarity
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