Receptor
PDB id Resolution Class Description Source Keywords
1gcz 1.9 Å EC: 5.3.2.1 MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) COMPLEXED WITH INHIBITOR. HOMO SAPIENS PROTEIN-INHIBITOR COMPLEX MIF MACROPHAGE MIGRATION INHIBITORY FACTOR IMMUNE SYSTEM
Ref.: COUMARIN AND CHROMEN-4-ONE ANALOGUES AS TAUTOMERASE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR: DISCOVERY AND X-RAY CRYSTALLOGRAPHY. J.MED.CHEM. V. 44 540 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:550;
B:551;
C:552;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
SO4 A:553;
A:554;
A:557;
A:560;
A:561;
A:562;
B:556;
C:555;
C:558;
C:559;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
YZ9 A:900;
B:902;
C:901;
Valid;
Valid;
Valid;
none;
none;
none;
Ki = 7.4 uM
234.205 C12 H10 O5 CCOC(...
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: 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: YZ9; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 YZ9 1 1
2 3QV 0.421875 0.692308
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: YZ9; Similar ligands found: 668
No: Ligand Similarity coefficient
1 RSV 0.9557
2 DX2 0.9447
3 52F 0.9446
4 9KZ 0.9425
5 1DR 0.9353
6 EV2 0.9345
7 M78 0.9345
8 BIO 0.9337
9 NPX 0.9328
10 HBI 0.9307
11 H4B 0.9302
12 ZSP 0.9296
13 5SJ 0.9286
14 22T 0.9282
15 4AU 0.9282
16 7AP 0.9274
17 TCR 0.9273
18 K7H 0.9271
19 5VU 0.9264
20 7FU 0.9259
21 NIF 0.9239
22 2PV 0.9238
23 5C1 0.9234
24 LIG 0.9232
25 II4 0.9230
26 Q8D 0.9229
27 NEU 0.9229
28 0UL 0.9226
29 CX4 0.9218
30 2PK 0.9218
31 HNT 0.9216
32 H75 0.9199
33 MPU 0.9198
34 PIQ 0.9197
35 Q8G 0.9195
36 BHS 0.9192
37 AUG 0.9179
38 AJ1 0.9177
39 KMY 0.9177
40 AP6 0.9173
41 0DF 0.9171
42 1V4 0.9168
43 E3X 0.9163
44 4AB 0.9162
45 JCZ 0.9162
46 EES 0.9159
47 MS0 0.9159
48 1V3 0.9158
49 T1N 0.9158
50 NPS 0.9157
51 4I8 0.9157
52 FT6 0.9149
53 YE7 0.9144
54 H2B 0.9140
55 YE6 0.9140
56 6FB 0.9139
57 AJG 0.9137
58 2WU 0.9132
59 NVS 0.9128
60 NEO 0.9127
61 2JX 0.9126
62 5TZ 0.9122
63 BA5 0.9121
64 CUE 0.9115
65 5V7 0.9106
66 WV7 0.9105
67 AUE 0.9103
68 4CN 0.9103
69 BZJ 0.9102
70 OTA 0.9102
71 27K 0.9100
72 CX6 0.9090
73 EST 0.9089
74 0OK 0.9088
75 2J1 0.9085
76 WUB 0.9085
77 A7H 0.9082
78 M4N 0.9082
79 5OR 0.9082
80 7MW 0.9080
81 14Z 0.9079
82 A6W 0.9077
83 39Z 0.9076
84 VUP 0.9076
85 SJK 0.9068
86 J1K 0.9067
87 A9B 0.9065
88 2J2 0.9062
89 IQZ 0.9061
90 62D 0.9058
91 LI7 0.9056
92 1FE 0.9056
93 F40 0.9055
94 S98 0.9052
95 IQ5 0.9051
96 EAE 0.9048
97 1HR 0.9048
98 OPA 0.9046
99 OLU 0.9045
100 5F8 0.9040
101 HH6 0.9040
102 1HP 0.9040
103 HRD 0.9038
104 OCZ 0.9036
105 6JO 0.9036
106 NK5 0.9035
107 Z21 0.9033
108 7EH 0.9031
109 N1E 0.9029
110 0LO 0.9028
111 PRL 0.9028
112 P7V 0.9026
113 9CE 0.9023
114 L2K 0.9021
115 EI1 0.9021
116 GNR 0.9020
117 JTF 0.9019
118 J38 0.9013
119 N4E 0.9011
120 2P3 0.9006
121 EYY 0.9006
122 5GV 0.9005
123 CNI 0.9005
124 EV3 0.9004
125 3SU 0.9004
126 NRA 0.9002
127 GEN 0.9002
128 Q0K 0.9001
129 2K8 0.9000
130 TXW 0.9000
131 KWH 0.8999
132 P4L 0.8997
133 K4T 0.8997
134 5S9 0.8994
135 AXX 0.8991
136 49P 0.8991
137 3WL 0.8988
138 1R5 0.8987
139 D64 0.8986
140 BGU 0.8986
141 D87 0.8985
142 JHY 0.8984
143 7G2 0.8984
144 397 0.8983
145 EQU 0.8983
146 KP2 0.8983
147 7L4 0.8982
148 RGK 0.8982
149 D1G 0.8981
150 CLI 0.8981
151 7KE 0.8980
152 8RK 0.8978
153 5TT 0.8978
154 X0U 0.8977
155 6KT 0.8977
156 D26 0.8975
157 MN QAY 0.8973
158 ZTW 0.8973
159 78Y 0.8969
160 D25 0.8967
161 JAH 0.8967
162 FCW 0.8967
163 NKI 0.8962
164 6P3 0.8962
165 9FG 0.8961
166 27M 0.8961
167 OQC 0.8961
168 L1T 0.8961
169 2GQ 0.8960
170 LR8 0.8959
171 30G 0.8958
172 1V1 0.8958
173 NDD 0.8958
174 6DQ 0.8958
175 8CC 0.8958
176 J3Z 0.8954
177 MKN 0.8954
178 ITE 0.8954
179 BQ2 0.8953
180 1EB 0.8952
181 Y3L 0.8951
182 SU9 0.8950
183 549 0.8949
184 6ZE 0.8948
185 KU1 0.8947
186 ZZA 0.8946
187 6QT 0.8946
188 6XC 0.8946
189 9R5 0.8945
190 KLS 0.8943
191 GNV 0.8943
192 1CE 0.8943
193 A5H 0.8942
194 20D 0.8942
195 G14 0.8941
196 EUH 0.8941
197 DRG 0.8940
198 0FR 0.8938
199 18E 0.8938
200 W23 0.8938
201 QIV 0.8936
202 CKA 0.8936
203 40N 0.8935
204 A73 0.8933
205 MD6 0.8932
206 NAL 0.8930
207 5B2 0.8929
208 FCD 0.8929
209 XG1 0.8928
210 RDT 0.8927
211 272 0.8925
212 EUE 0.8924
213 0J4 0.8922
214 OA4 0.8922
215 LEL 0.8922
216 7PS 0.8920
217 D2G 0.8920
218 5E5 0.8918
219 GO2 0.8917
220 4NR 0.8914
221 E6Q 0.8914
222 S0D 0.8914
223 121 0.8913
224 HRM 0.8913
225 4FC 0.8912
226 ZHA 0.8912
227 25F 0.8912
228 3QI 0.8911
229 JVD 0.8910
230 3VQ 0.8908
231 AH6 0.8907
232 3VX 0.8904
233 XI7 0.8904
234 SZ5 0.8903
235 WLH 0.8901
236 RKY 0.8899
237 TRP 0.8899
238 GNY 0.8898
239 6MW 0.8896
240 1Q4 0.8896
241 ET0 0.8895
242 0SY 0.8895
243 PUE 0.8894
244 DX7 0.8894
245 X2M 0.8894
246 TMG 0.8893
247 1XS 0.8893
248 WS6 0.8893
249 L15 0.8893
250 D80 0.8893
251 LUM 0.8893
252 5ER 0.8893
253 WSD 0.8892
254 47V 0.8892
255 4HB 0.8892
256 MMJ 0.8892
257 XCG 0.8891
258 6SD 0.8889
259 VM1 0.8889
260 PZ8 0.8888
261 EZL 0.8888
262 60L 0.8887
263 1OT 0.8887
264 S60 0.8887
265 9NB 0.8887
266 20N 0.8887
267 0NJ 0.8886
268 68B 0.8885
269 0SX 0.8885
270 3F4 0.8885
271 M83 0.8884
272 1Q1 0.8884
273 613 0.8883
274 CSN 0.8883
275 PMM 0.8882
276 S0E 0.8882
277 0J5 0.8881
278 1ZC 0.8880
279 LP8 0.8880
280 CUQ 0.8877
281 EWG 0.8877
282 A5Q 0.8877
283 LR2 0.8877
284 IQW 0.8876
285 C09 0.8876
286 789 0.8875
287 ESR 0.8875
288 COL 0.8875
289 363 0.8874
290 F2W 0.8874
291 K48 0.8872
292 EE8 0.8872
293 8EQ 0.8871
294 2D2 0.8871
295 3C5 0.8871
296 657 0.8868
297 2FX 0.8867
298 9JT 0.8867
299 NAG 0.8866
300 KF5 0.8866
301 HHS 0.8865
302 JA5 0.8863
303 JP2 0.8863
304 3R4 0.8863
305 3N1 0.8859
306 N91 0.8858
307 D8Q 0.8858
308 39R 0.8857
309 JGB 0.8856
310 GNJ 0.8856
311 DFL 0.8856
312 TID 0.8855
313 DXK 0.8854
314 6VW 0.8854
315 PIC 0.8853
316 THA 0.8852
317 5SD 0.8849
318 124 0.8848
319 833 0.8848
320 WS7 0.8847
321 AOX 0.8845
322 KW8 0.8845
323 7MX 0.8843
324 5GT 0.8843
325 JTA 0.8843
326 19E 0.8843
327 8YH 0.8841
328 LZ5 0.8840
329 1AJ 0.8840
330 5ZM 0.8839
331 2LW 0.8838
332 DHT 0.8838
333 2QU 0.8838
334 D9Z 0.8836
335 47X 0.8834
336 SNJ 0.8833
337 L07 0.8831
338 AQN 0.8831
339 2QV 0.8830
340 PMP 0.8829
341 0FK 0.8828
342 SWX 0.8828
343 0K7 0.8826
344 LL1 0.8825
345 B1J 0.8823
346 RKV 0.8823
347 OAI 0.8822
348 QME 0.8820
349 801 0.8820
350 5TY 0.8819
351 9UL 0.8818
352 36M 0.8818
353 AUV 0.8818
354 BVS 0.8818
355 C4E 0.8817
356 AMR 0.8815
357 LWS 0.8814
358 0MB 0.8814
359 092 0.8814
360 E1K 0.8813
361 0LA 0.8813
362 V1T 0.8811
363 RF2 0.8809
364 JMG 0.8807
365 4UM 0.8806
366 28A 0.8805
367 TEF 0.8805
368 5FL 0.8804
369 761 0.8804
370 ODK 0.8803
371 6H2 0.8800
372 BMZ 0.8799
373 122 0.8799
374 3GX 0.8798
375 5NN 0.8795
376 4FF 0.8795
377 LFQ 0.8793
378 6FG 0.8793
379 ASD 0.8793
380 JY2 0.8793
381 7O4 0.8792
382 PQM 0.8792
383 TES 0.8792
384 KWV 0.8792
385 17M 0.8791
386 N0Z 0.8790
387 GOE 0.8790
388 X48 0.8789
389 SDN 0.8786
390 3DE 0.8786
391 C0V 0.8785
392 LZJ 0.8785
393 VC3 0.8785
394 5F5 0.8784
395 68A 0.8784
396 3VS 0.8783
397 795 0.8782
398 LC1 0.8781
399 4HG 0.8781
400 UN9 0.8780
401 8Y7 0.8779
402 RVE 0.8779
403 Z25 0.8779
404 EEK 0.8777
405 HDI 0.8776
406 120 0.8776
407 C8O 0.8776
408 BP7 0.8775
409 0JD 0.8775
410 DBS 0.8775
411 SQV 0.8775
412 7EL 0.8773
413 GF4 0.8771
414 HBO 0.8771
415 A98 0.8771
416 5WK 0.8771
417 JF8 0.8770
418 AWE 0.8770
419 NYJ 0.8768
420 7G0 0.8768
421 QNM 0.8766
422 SYE 0.8765
423 BIH 0.8763
424 14N 0.8762
425 NQ8 0.8762
426 B52 0.8761
427 KMP 0.8761
428 IQQ 0.8761
429 IDZ 0.8760
430 8D6 0.8760
431 PH2 0.8759
432 DDC 0.8759
433 3L1 0.8756
434 ZRK 0.8755
435 CR4 0.8755
436 SKF 0.8755
437 3UG 0.8755
438 HUL 0.8755
439 X0T 0.8754
440 G2V 0.8754
441 RHN 0.8753
442 AOM 0.8753
443 U7E 0.8750
444 4NP 0.8750
445 6JM 0.8749
446 EY2 0.8749
447 SO7 0.8749
448 92O 0.8748
449 27F 0.8746
450 MUR 0.8746
451 LFN 0.8745
452 5H6 0.8745
453 AH3 0.8743
454 P4T 0.8743
455 3D8 0.8743
456 S62 0.8741
457 B98 0.8741
458 ADL 0.8740
459 B61 0.8739
460 108 0.8739
461 JWS 0.8737
462 NY4 0.8737
463 E9L 0.8736
464 4ZF 0.8733
465 A05 0.8733
466 4MB 0.8733
467 L03 0.8732
468 A63 0.8732
469 5KN 0.8732
470 QR2 0.8732
471 MR4 0.8731
472 FHV 0.8731
473 WG8 0.8731
474 9XZ 0.8730
475 1Q2 0.8730
476 CHQ 0.8730
477 91F 0.8730
478 B21 0.8729
479 AON 0.8729
480 PQV 0.8728
481 VGS 0.8728
482 ESZ 0.8728
483 P83 0.8726
484 9ZE 0.8726
485 IOP 0.8725
486 5EZ 0.8724
487 GW3 0.8723
488 344 0.8720
489 DT7 0.8720
490 ZYQ 0.8719
491 JXK 0.8719
492 X6W 0.8719
493 856 0.8718
494 9OF 0.8717
495 ANB 0.8715
496 5AD 0.8713
497 UN3 0.8710
498 90M 0.8710
499 H2W 0.8709
500 M3W 0.8709
501 C53 0.8709
502 R18 0.8708
503 W8L 0.8708
504 CDJ 0.8707
505 L1O 0.8706
506 UM3 0.8706
507 HJ7 0.8705
508 MR5 0.8704
509 BPU 0.8704
510 6L6 0.8704
511 35K 0.8704
512 AO 0.8703
513 CU8 0.8703
514 5WT 0.8703
515 OA1 0.8703
516 V13 0.8702
517 GDL 0.8701
518 I2E 0.8700
519 DNQ 0.8700
520 ZEC 0.8699
521 Q4G 0.8699
522 T98 0.8696
523 9BF 0.8695
524 H4B NO 0.8692
525 15N 0.8692
526 P9E 0.8691
527 7FZ 0.8690
528 AOI 0.8689
529 ESJ 0.8689
530 7PJ 0.8688
531 M3F 0.8688
532 7M2 0.8686
533 535 0.8686
534 WA1 0.8685
535 9TF 0.8685
536 4FE 0.8685
537 ADN 0.8684
538 VT3 0.8683
539 L5D 0.8681
540 FQX 0.8680
541 ESL 0.8680
542 Y0V 0.8679
543 54E 0.8677
544 DNF SER 0.8677
545 SER DNF 0.8677
546 K97 0.8676
547 3AK 0.8675
548 LO1 0.8675
549 6ZW 0.8673
550 MBT 0.8672
551 JBZ 0.8672
552 ANF 0.8672
553 FZM 0.8671
554 JXT 0.8670
555 5XL 0.8670
556 CC6 0.8669
557 68C 0.8669
558 6DH 0.8669
559 4NS 0.8669
560 CC5 0.8668
561 FZ0 0.8665
562 3D3 0.8664
563 57D 0.8663
564 LZB 0.8661
565 XYS XYP 0.8658
566 08C 0.8657
567 FDR 0.8657
568 B0K 0.8655
569 4GU 0.8655
570 RA7 0.8652
571 BBP 0.8652
572 8V8 0.8651
573 SLS 0.8649
574 3ZB 0.8648
575 6QF 0.8648
576 AND 0.8648
577 1UZ 0.8646
578 26C 0.8646
579 OAL 0.8645
580 AZM 0.8645
581 AH9 0.8644
582 ANC 0.8643
583 8NB 0.8641
584 JRO 0.8640
585 135 0.8640
586 1V8 0.8640
587 B56 0.8637
588 AJ4 0.8636
589 U4J 0.8636
590 HHR 0.8636
591 KLV 0.8635
592 IXG 0.8634
593 ZEA 0.8634
594 K82 0.8634
595 3N0 0.8633
596 AVX 0.8632
597 AA 0.8632
598 PLP 0.8631
599 DX8 0.8630
600 M5H 0.8630
601 HHB 0.8629
602 KW7 0.8625
603 AN3 0.8619
604 BSU 0.8618
605 S0J 0.8616
606 5O6 0.8615
607 22L 0.8614
608 IBP 0.8613
609 3XR 0.8612
610 UAY 0.8611
611 K4V 0.8610
612 5M2 0.8610
613 JYE 0.8610
614 CG 0.8608
615 5TO 0.8607
616 CBE 0.8607
617 2UD 0.8606
618 VFG 0.8605
619 88X 0.8603
620 1EL 0.8603
621 1YL 0.8602
622 N2M 0.8601
623 PTR 0.8600
624 7M5 0.8597
625 KLE 0.8596
626 4G2 0.8593
627 XYP XYP 0.8593
628 FX5 0.8591
629 BVA 0.8591
630 34L 0.8591
631 3JC 0.8590
632 P93 0.8589
633 D1Y 0.8589
634 FSE 0.8589
635 9FH 0.8589
636 5TU 0.8588
637 8SK 0.8587
638 F02 0.8585
639 5XM 0.8583
640 GB4 0.8582
641 ENO 0.8582
642 PTB 0.8581
643 J84 0.8580
644 4BL 0.8578
645 72D 0.8576
646 M4E 0.8576
647 8XL 0.8576
648 VFM 0.8575
649 E1T 0.8575
650 MIL 0.8574
651 3XH 0.8573
652 MYU 0.8570
653 3J8 0.8570
654 PK3 0.8570
655 NGA 0.8564
656 6C5 0.8564
657 RFZ 0.8564
658 EAA 0.8560
659 109 0.8552
660 B2E 0.8552
661 JF5 0.8552
662 CXH 0.8550
663 2Q0 0.8548
664 JF2 0.8536
665 S7D 0.8532
666 8HC 0.8527
667 2MQ 0.8527
668 G1L 0.8527
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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