Receptor
PDB id Resolution Class Description Source Keywords
3L5U 1.9 Å EC: 5.3.2.1 CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR BENZOTHIAZOLE INHIBITOR AT 1.90A 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
SO4 A:124;
B:124;
C:124;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ZEC A:123;
B:123;
C:123;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
230.264 C7 H6 N2 O3 S2 c1cc2...
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: ZEC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ZEC 1 1
2 EZL 0.509091 0.868852
3 EVF 0.458333 0.872727
Similar Ligands (3D)
Ligand no: 1; Ligand: ZEC; Similar ligands found: 682
No: Ligand Similarity coefficient
1 MP5 0.9734
2 EUE 0.9684
3 4CM 0.9575
4 4BY 0.9544
5 428 0.9534
6 S0E 0.9524
7 SKF 0.9517
8 3ZB 0.9500
9 4BL 0.9493
10 P9E 0.9460
11 3R4 0.9458
12 MAJ 0.9448
13 SNO 0.9431
14 4NZ 0.9425
15 UNJ 0.9422
16 A5P 0.9419
17 JBZ 0.9413
18 36E 0.9412
19 3W8 0.9412
20 HC4 0.9394
21 A7H 0.9391
22 PLP 0.9390
23 AM4 0.9389
24 PMP 0.9388
25 ICB 0.9382
26 5LA 0.9364
27 657 0.9363
28 BZ2 0.9350
29 N2M 0.9344
30 QIV 0.9338
31 J6W 0.9331
32 RYV 0.9325
33 ESX 0.9320
34 Y3L 0.9312
35 4NP 0.9310
36 IS2 0.9305
37 6KT 0.9305
38 AZM 0.9302
39 AES 0.9302
40 SYE 0.9293
41 PNP 0.9288
42 6FZ 0.9279
43 6FB 0.9276
44 4AB 0.9274
45 ESP 0.9274
46 EN1 0.9273
47 FBF 0.9270
48 A6P 0.9267
49 363 0.9262
50 CFA 0.9255
51 IOS 0.9251
52 3VX 0.9249
53 2K8 0.9249
54 XCG 0.9249
55 H2B 0.9248
56 HBI 0.9248
57 RNO 0.9243
58 PLP PMP 0.9242
59 PZP 0.9242
60 68A 0.9234
61 27B 0.9231
62 H4B 0.9230
63 E4P 0.9224
64 MSR 0.9224
65 0JD 0.9223
66 P81 0.9220
67 EXD 0.9219
68 K97 0.9213
69 GO2 0.9203
70 F90 0.9202
71 HPP 0.9201
72 N91 0.9200
73 SNU 0.9196
74 4MB 0.9194
75 GJP 0.9191
76 4LW 0.9191
77 BNX 0.9191
78 TMG 0.9185
79 9ZE 0.9182
80 9R5 0.9178
81 GO8 0.9177
82 VC3 0.9176
83 15N 0.9176
84 TRP 0.9175
85 PPY 0.9175
86 E1T 0.9173
87 STX 0.9170
88 E7S 0.9169
89 4JC 0.9167
90 CPZ 0.9167
91 IAC 0.9165
92 X48 0.9164
93 PLR 0.9162
94 RP3 0.9162
95 I2E 0.9158
96 ESI 0.9157
97 M4S 0.9156
98 KMY 0.9154
99 5GT 0.9154
100 AN3 0.9154
101 4JE 0.9152
102 1PS 0.9151
103 4R1 0.9151
104 ATX 0.9150
105 SLS 0.9149
106 KBZ 0.9149
107 HHS 0.9145
108 IOP 0.9145
109 8ZE 0.9144
110 5TY 0.9142
111 ZYX 0.9142
112 CTE 0.9141
113 HNT 0.9140
114 BL0 0.9139
115 A5Q 0.9131
116 4NB 0.9128
117 TCA 0.9124
118 1QV 0.9121
119 TYR 0.9119
120 4I8 0.9119
121 3VS 0.9118
122 1F1 0.9118
123 N4E 0.9117
124 X0U 0.9117
125 LQ2 0.9116
126 BIO 0.9115
127 F4E 0.9110
128 BP7 0.9110
129 C82 0.9110
130 KYN 0.9107
131 S0W 0.9104
132 SG2 0.9102
133 94W 0.9101
134 KTW 0.9100
135 2HC 0.9096
136 9BF 0.9095
137 DHC 0.9090
138 TYC 0.9084
139 TZF 0.9083
140 JA5 0.9083
141 GZ2 0.9083
142 7AP 0.9082
143 A5E 0.9079
144 ENO 0.9079
145 EUH 0.9078
146 3W6 0.9077
147 3W3 0.9077
148 BQ2 0.9076
149 GVY 0.9076
150 E3X 0.9074
151 F4K 0.9074
152 K4V 0.9073
153 HSX 0.9072
154 BVA 0.9069
155 AJG 0.9068
156 N1E 0.9068
157 2QC 0.9064
158 FF2 0.9062
159 BHQ 0.9060
160 PO6 0.9057
161 61M 0.9056
162 DEZ 0.9056
163 92G 0.9053
164 K7H 0.9052
165 G6P 0.9051
166 BG6 0.9051
167 CXH 0.9051
168 PRL 0.9046
169 RES 0.9044
170 LO1 0.9043
171 PTB 0.9043
172 UA5 0.9042
173 88L 0.9040
174 5OO 0.9040
175 S0D 0.9040
176 12T 0.9039
177 P80 0.9038
178 4RU 0.9037
179 27K 0.9034
180 VFG 0.9032
181 8NX 0.9031
182 549 0.9031
183 PH2 0.9031
184 4WL 0.9030
185 NPS 0.9028
186 ZSP 0.9028
187 FZM 0.9027
188 2FX 0.9026
189 A7N 0.9025
190 1X4 0.9025
191 8XL 0.9024
192 NAG 0.9024
193 3VQ 0.9023
194 D9Z 0.9022
195 2O8 0.9021
196 0HN 0.9021
197 6NI 0.9021
198 2O6 0.9020
199 GLP 0.9019
200 HHR 0.9017
201 6L6 0.9017
202 ALE 0.9017
203 1L5 0.9016
204 1HN 0.9016
205 EYV 0.9014
206 6NT 0.9013
207 5RP 0.9012
208 3QV 0.9012
209 S7S 0.9011
210 8NB 0.9010
211 4BZ 0.9010
212 CH9 0.9010
213 XIZ 0.9009
214 KLV 0.9009
215 AMH 0.9005
216 5O6 0.9002
217 4NS 0.9002
218 THA 0.9001
219 STT 0.8998
220 5SP 0.8998
221 APS 0.8998
222 LSQ 0.8998
223 GDL 0.8995
224 G14 0.8994
225 OQC 0.8994
226 PFF 0.8994
227 JAH 0.8993
228 GB5 0.8993
229 GNM 0.8993
230 3AE 0.8992
231 1A5 0.8991
232 I3E 0.8989
233 DTY 0.8989
234 36M 0.8988
235 HA5 0.8986
236 4FE 0.8984
237 WV7 0.8983
238 ANN 0.8983
239 6ZX 0.8982
240 0FK 0.8979
241 7MW 0.8979
242 TZP 0.8978
243 AOT 0.8976
244 FQX 0.8974
245 RSV 0.8971
246 JB8 0.8970
247 MZM 0.8970
248 PUE 0.8969
249 R5P 0.8968
250 R52 0.8968
251 JDN 0.8968
252 0J4 0.8967
253 9NB 0.8967
254 HRM 0.8966
255 JCZ 0.8966
256 ARP 0.8966
257 344 0.8966
258 L14 0.8965
259 NDG 0.8964
260 C53 0.8963
261 F02 0.8962
262 5GV 0.8961
263 S7J 0.8956
264 2ZM 0.8956
265 36Y 0.8956
266 IL5 0.8954
267 FDR 0.8953
268 TYL 0.8952
269 0NX 0.8949
270 3N1 0.8949
271 X04 0.8948
272 6QF 0.8947
273 T1N 0.8946
274 PH3 0.8944
275 P0P 0.8943
276 AMS 0.8939
277 15E 0.8938
278 0FR 0.8936
279 PTS 0.8935
280 HCI 0.8933
281 SWX 0.8933
282 5NI 0.8933
283 XDE 0.8932
284 NPX 0.8932
285 4Z1 0.8931
286 DAH 0.8926
287 LVD 0.8926
288 Z70 0.8925
289 V1T 0.8923
290 ZHA 0.8921
291 XIY 0.8921
292 PNZ 0.8921
293 1M2 0.8920
294 BZJ 0.8919
295 HX4 0.8919
296 80G 0.8918
297 BPY 0.8917
298 S60 0.8917
299 4BF 0.8917
300 D6G 0.8915
301 RKV 0.8913
302 ZYR 0.8912
303 FER 0.8910
304 ZZA 0.8909
305 5WN 0.8908
306 4BX 0.8907
307 YZM 0.8907
308 MD6 0.8906
309 LR5 0.8906
310 CWJ 0.8906
311 CC5 0.8905
312 NEU 0.8902
313 4HB 0.8902
314 0F3 0.8899
315 EQW 0.8898
316 AJ1 0.8897
317 BPN 0.8897
318 0HO 0.8896
319 PBA 0.8896
320 2BG 0.8896
321 VGS 0.8895
322 4JQ 0.8893
323 DDU 0.8893
324 GWM 0.8892
325 N2I 0.8892
326 ANC 0.8892
327 ABF 0.8892
328 JAW 0.8890
329 BNL 0.8890
330 MQN 0.8889
331 3NY 0.8889
332 BVS 0.8888
333 0UL 0.8888
334 IWT 0.8887
335 QMS 0.8887
336 2HU 0.8887
337 3A9 0.8886
338 CNI 0.8884
339 QME 0.8883
340 14W 0.8882
341 AA 0.8881
342 DER 0.8880
343 PHI 0.8879
344 M6P 0.8873
345 8HC 0.8872
346 LL1 0.8872
347 BGU 0.8870
348 0BP 0.8869
349 RA7 0.8868
350 TSU 0.8867
351 7O4 0.8867
352 L22 0.8867
353 NDD 0.8867
354 TZM 0.8867
355 DXP 0.8867
356 M5H 0.8864
357 795 0.8864
358 DT7 0.8864
359 ANF 0.8863
360 TU0 0.8861
361 8WO 0.8860
362 HIS 0.8858
363 C1M 0.8858
364 HBO 0.8858
365 ZIQ 0.8856
366 4ZA 0.8856
367 ODK 0.8856
368 CSN 0.8856
369 JND 0.8854
370 7PJ 0.8853
371 EV2 0.8851
372 4SX 0.8851
373 259 0.8850
374 LGT 0.8850
375 MPV 0.8849
376 2J1 0.8849
377 KTJ 0.8849
378 PXP 0.8846
379 3XR 0.8844
380 92O 0.8844
381 4YO 0.8843
382 833 0.8842
383 SSC 0.8842
384 4UM 0.8842
385 TGX 0.8841
386 54E 0.8840
387 4XF 0.8835
388 9CA 0.8835
389 M78 0.8833
390 J9N 0.8832
391 5SJ 0.8830
392 1ZC 0.8829
393 0TU 0.8829
394 6Q3 0.8827
395 6SD 0.8827
396 PHE 0.8825
397 FTV 0.8825
398 4LV 0.8825
399 HJH 0.8824
400 4P5 0.8824
401 QMR 0.8823
402 56D 0.8823
403 LLH 0.8819
404 W23 0.8816
405 IPD 0.8816
406 YI6 0.8815
407 1VK 0.8814
408 DVQ 0.8814
409 DBS 0.8812
410 LR8 0.8812
411 0OK 0.8812
412 LZ5 0.8809
413 NFA 0.8809
414 KDV 0.8807
415 9UL 0.8806
416 BHS 0.8805
417 HHI 0.8804
418 P7Y 0.8804
419 RYY 0.8804
420 GB4 0.8804
421 QBP 0.8800
422 7MX 0.8800
423 B1J 0.8800
424 Y4L 0.8800
425 2PV 0.8800
426 IQ5 0.8800
427 K82 0.8799
428 14N 0.8799
429 KF5 0.8798
430 7FU 0.8798
431 2PK 0.8798
432 1IT 0.8798
433 PJW 0.8797
434 1A7 0.8797
435 D1Y 0.8797
436 0OO 0.8796
437 KLS 0.8796
438 HJ7 0.8796
439 PQS 0.8793
440 NEO 0.8793
441 FCW 0.8793
442 ABI 0.8792
443 6P3 0.8792
444 0SY 0.8791
445 3VW 0.8790
446 8W9 0.8790
447 8D6 0.8790
448 535 0.8790
449 OOG 0.8787
450 2P3 0.8787
451 HFA 0.8786
452 MPU 0.8786
453 OLU 0.8785
454 J1K 0.8785
455 BGP 0.8782
456 4CF 0.8782
457 6HO 0.8782
458 6J5 0.8781
459 2D2 0.8779
460 4FF 0.8779
461 JG8 0.8778
462 2J2 0.8774
463 F5C 0.8774
464 RCV 0.8774
465 6FG 0.8774
466 8V8 0.8773
467 JF2 0.8773
468 WS7 0.8773
469 L03 0.8768
470 AAN 0.8768
471 N8Y 0.8767
472 BBK 0.8767
473 FBB 0.8766
474 9FE 0.8766
475 9FL 0.8764
476 14Z 0.8761
477 JP2 0.8760
478 7VP 0.8760
479 EE8 0.8759
480 THU 0.8759
481 86L 0.8759
482 8U3 0.8758
483 PQM 0.8758
484 78Y 0.8758
485 1Z6 0.8758
486 LDP 0.8757
487 492 0.8756
488 A6W 0.8755
489 A29 0.8754
490 AMR 0.8754
491 0W1 0.8754
492 SG3 0.8754
493 DPN 0.8751
494 4V2 0.8751
495 2JX 0.8749
496 3XH 0.8748
497 N9J 0.8746
498 L15 0.8746
499 72D 0.8743
500 MXD 0.8743
501 B56 0.8742
502 H5B 0.8741
503 RP5 0.8740
504 NGA 0.8740
505 GF4 0.8740
506 YPN 0.8739
507 R9Y 0.8739
508 92P 0.8738
509 GJK 0.8738
510 E1K 0.8736
511 ZRK 0.8734
512 D3G 0.8733
513 4NM 0.8732
514 S62 0.8729
515 VD9 0.8728
516 XDK 0.8728
517 X0V 0.8728
518 5AD 0.8727
519 Z13 0.8726
520 9H2 0.8724
521 TID 0.8724
522 CK2 0.8722
523 DRG 0.8722
524 JGB 0.8721
525 TB8 0.8719
526 LUM 0.8718
527 Y0V 0.8718
528 R2P 0.8718
529 HIC 0.8716
530 LNR 0.8715
531 URO 0.8711
532 4TP 0.8711
533 SJK 0.8709
534 TJM 0.8709
535 OCZ 0.8707
536 MVN 0.8707
537 6HP 0.8707
538 ST3 0.8704
539 2GQ 0.8703
540 5VU 0.8701
541 ITE 0.8700
542 N2Y 0.8700
543 YZ9 0.8699
544 9FH 0.8698
545 DUR 0.8697
546 DCZ 0.8696
547 44W 0.8695
548 R20 0.8694
549 OTR 0.8691
550 F1X 0.8688
551 D2G 0.8685
552 5TT 0.8684
553 BIH 0.8683
554 0J5 0.8683
555 TSS 0.8682
556 A5H 0.8682
557 K2T 0.8682
558 JMG 0.8681
559 YIE 0.8678
560 HWD 0.8677
561 N0Z 0.8676
562 5TZ 0.8676
563 K25 0.8676
564 DE5 0.8675
565 ERZ 0.8675
566 RVE 0.8675
567 6ME 0.8675
568 TCR 0.8674
569 FHV 0.8672
570 K80 0.8671
571 FWD 0.8671
572 S0G 0.8670
573 VFM 0.8669
574 MMS 0.8668
575 3J8 0.8668
576 RGP 0.8668
577 QX4 0.8667
578 VUP 0.8667
579 ES2 0.8666
580 7EH 0.8662
581 DNA 0.8661
582 S8G 0.8660
583 4J8 0.8659
584 5XC 0.8658
585 6E8 0.8658
586 KYA 0.8655
587 6RQ 0.8653
588 M6D 0.8653
589 RD4 0.8652
590 N7I 0.8652
591 D5X 0.8652
592 30G 0.8651
593 MR1 0.8651
594 8WT 0.8651
595 XI7 0.8650
596 M4E 0.8650
597 0FO 0.8649
598 DQU 0.8648
599 28A 0.8648
600 J38 0.8643
601 2WU 0.8643
602 50C 0.8642
603 3D1 0.8642
604 Z21 0.8642
605 5H6 0.8641
606 SOJ 0.8641
607 109 0.8641
608 II4 0.8640
609 5VM 0.8640
610 CX6 0.8639
611 R9J 0.8639
612 BIK 0.8639
613 9JT 0.8639
614 PIQ 0.8638
615 KP2 0.8637
616 44V 0.8635
617 5E5 0.8634
618 EQA 0.8633
619 FMQ 0.8632
620 EKZ 0.8631
621 HL4 0.8631
622 AX3 0.8631
623 LOT 0.8631
624 4CN 0.8629
625 F2W 0.8628
626 B62 0.8626
627 THM 0.8625
628 ZYQ 0.8623
629 A2G 0.8623
630 6ZW 0.8622
631 8MO 0.8621
632 505 0.8617
633 KW8 0.8616
634 CIY 0.8615
635 NY4 0.8613
636 3Y7 0.8613
637 XHP 0.8610
638 A7Q 0.8610
639 I4D 0.8608
640 F9Y 0.8608
641 JF1 0.8608
642 5WK 0.8603
643 YRL 0.8603
644 LJ3 0.8602
645 J9T 0.8601
646 9GB 0.8601
647 HNK 0.8601
648 HNL 0.8601
649 E0O 0.8599
650 DZA 0.8598
651 RKN 0.8596
652 2FQ 0.8593
653 3L1 0.8591
654 0FN 0.8591
655 7D7 0.8589
656 AU8 0.8588
657 VGD 0.8586
658 9KZ 0.8585
659 BWD 0.8585
660 F6R 0.8583
661 CWD 0.8579
662 STV 0.8578
663 F6P 0.8577
664 0XR 0.8575
665 MS9 0.8574
666 KLE 0.8569
667 SX2 0.8566
668 LEL 0.8566
669 F40 0.8563
670 0DF 0.8558
671 4TU 0.8556
672 BSA 0.8556
673 5RO 0.8556
674 HDH 0.8547
675 4AU 0.8543
676 G1L 0.8541
677 7MU 0.8541
678 YTX 0.8537
679 TXW 0.8533
680 AJY 0.8533
681 IWD 0.8525
682 0K7 0.8503
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
APoc FAQ
Feedback