Receptor
PDB id Resolution Class Description Source Keywords
4K9G 1.55 Å EC: 5.3.2.1 1.55 A CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY BOUND TO ISO-66 AND A RELATED COMPOUND HOMO SAPIENS CYTOKINE SECRETED/ENDOCYTOSED ISOMERASE
Ref.: ISO-66, A NOVEL INHIBITOR OF MACROPHAGE MIGRATION, EFFICACY IN MELANOMA AND COLON CANCER MODELS. INT J ONCOL. V. 45 1457 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1Q2 A:201;
C:201;
B:201;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
239.243 C12 H14 F N O3 [H]/N...
CL A:203;
A:205;
B:203;
C:202;
B:202;
A:204;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
SO4 A:206;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
1Q1 A:202;
 Valid;
 none;
 submit data
237.227 C12 H12 F N O3 CC(=O...
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: 1Q2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1Q2 1 1
Ligand no: 2; Ligand: 1Q1; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1Q1 1 1
2 HDI 0.447761 0.734694
Similar Ligands (3D)
Ligand no: 1; Ligand: 1Q2; Similar ligands found: 357
No: Ligand Similarity coefficient
1 1Q1 0.9463
2 HDI 0.9419
3 IJ4 0.9380
4 KWV 0.9361
5 0XR 0.9328
6 BSU 0.9285
7 HJ1 0.9265
8 7HV 0.9257
9 3N0 0.9243
10 D26 0.9232
11 90G 0.9202
12 8YH 0.9195
13 TPM 0.9181
14 397 0.9156
15 U55 0.9146
16 KLS 0.9146
17 D25 0.9142
18 RB7 0.9133
19 ZYC 0.9128
20 3K1 0.9124
21 S45 0.9123
22 4CN 0.9120
23 OLU 0.9119
24 SAZ 0.9108
25 9EG 0.9106
26 L02 0.9103
27 TEF 0.9103
28 SNV 0.9098
29 27K 0.9093
30 7KE 0.9092
31 245 0.9088
32 EMF 0.9088
33 5ER 0.9085
34 L2K 0.9076
35 SJR 0.9072
36 PIT 0.9066
37 6IP 0.9066
38 EEY 0.9061
39 5TU 0.9061
40 0V7 0.9060
41 A8D 0.9051
42 S1D 0.9050
43 WA1 0.9048
44 Q2S 0.9044
45 EEK 0.9043
46 6P3 0.9042
47 LJ1 0.9039
48 0QA 0.9039
49 135 0.9031
50 K0G 0.9031
51 JSX 0.9026
52 IJ1 0.9021
53 90M 0.9021
54 00G 0.9014
55 G2V 0.9013
56 4FC 0.9013
57 BMZ 0.9005
58 122 0.9005
59 Z3R 0.9003
60 ZTW 0.9000
61 D9Q 0.8999
62 28A 0.8998
63 0V8 0.8998
64 M4N 0.8998
65 0NJ 0.8998
66 JKK 0.8993
67 D8I 0.8992
68 BXS 0.8991
69 SZA 0.8987
70 F91 0.8985
71 PW5 0.8984
72 0H9 0.8981
73 IGP 0.8979
74 4P9 0.8976
75 RF2 0.8970
76 N9M 0.8969
77 6H2 0.8967
78 LC1 0.8964
79 STL 0.8959
80 8M5 0.8957
81 GJG 0.8954
82 MKN 0.8954
83 P7V 0.8952
84 IPL 0.8950
85 HPK 0.8950
86 120 0.8944
87 SFY 0.8943
88 JVB 0.8938
89 HPF 0.8936
90 7G2 0.8934
91 C0E 0.8934
92 C0V 0.8933
93 BMC 0.8931
94 121 0.8929
95 ZE7 0.8929
96 4ZF 0.8924
97 3CX 0.8924
98 A9B 0.8922
99 HL6 0.8921
100 2OX 0.8918
101 HPZ 0.8918
102 GOE 0.8915
103 CIU 0.8914
104 EX7 0.8906
105 MFY 0.8905
106 L5D 0.8903
107 3S9 0.8902
108 1EB 0.8901
109 H50 0.8900
110 D53 0.8899
111 VBC 0.8895
112 0K7 0.8889
113 BX4 0.8889
114 IW4 0.8888
115 G3P IDM 0.8887
116 LJ2 0.8886
117 7FZ 0.8886
118 0MB 0.8886
119 08D 0.8884
120 REG 0.8882
121 5R9 0.8882
122 7EH 0.8880
123 A6E 0.8879
124 FCW 0.8878
125 1HP 0.8878
126 ESJ 0.8878
127 2JP 0.8877
128 5PV 0.8877
129 ZEA 0.8875
130 4ZW 0.8872
131 1R5 0.8870
132 IPJ 0.8868
133 4TX 0.8868
134 Q4G 0.8867
135 PHQ ALA 0.8867
136 72H 0.8867
137 G30 0.8867
138 83D 0.8863
139 KWK 0.8859
140 ND5 0.8856
141 J1K 0.8856
142 Y27 0.8854
143 CWP 0.8853
144 O53 0.8851
145 GW9 0.8848
146 A26 0.8848
147 CT0 0.8848
148 MR4 0.8846
149 S0A 0.8844
150 WF4 0.8841
151 TID 0.8841
152 39R 0.8840
153 5TT 0.8840
154 FBC 0.8839
155 KPV 0.8836
156 J3B 0.8835
157 BVS 0.8834
158 5NR 0.8834
159 FZ3 0.8831
160 JP5 0.8831
161 AV7 0.8830
162 6T5 0.8830
163 124 0.8828
164 E98 0.8824
165 E92 0.8824
166 1XS 0.8824
167 Q86 0.8822
168 IW3 0.8821
169 IW5 0.8816
170 4UM 0.8815
171 OA5 0.8811
172 49Z 0.8811
173 RDV 0.8809
174 PQV 0.8809
175 2UV 0.8806
176 BZM 0.8804
177 GB5 0.8803
178 HPX 0.8803
179 TMP 0.8801
180 RE2 0.8799
181 9JT 0.8799
182 AZB 0.8797
183 22M 0.8795
184 TRP GLY 0.8794
185 4KN 0.8792
186 4AF 0.8791
187 WG8 0.8791
188 J84 0.8788
189 08C 0.8787
190 P4T 0.8785
191 1UT 0.8784
192 35K 0.8784
193 5EZ 0.8782
194 T07 0.8781
195 YE6 0.8775
196 FIP 0.8775
197 NFZ 0.8769
198 K3T 0.8769
199 0UL 0.8769
200 S0B 0.8766
201 EES 0.8766
202 OSY 0.8764
203 S0D 0.8764
204 22T 0.8763
205 B5A 0.8762
206 CMZ 0.8762
207 Z94 0.8758
208 ERZ 0.8758
209 LVP 0.8757
210 IYX 0.8756
211 833 0.8756
212 JON 0.8755
213 BVB 0.8754
214 WA2 0.8752
215 UN3 0.8745
216 VGV 0.8741
217 3D3 0.8739
218 49G 0.8738
219 PIQ 0.8734
220 1V0 0.8734
221 K97 0.8733
222 68B 0.8732
223 91F 0.8731
224 YZ9 0.8730
225 5ZM 0.8729
226 HHB 0.8729
227 JXQ 0.8729
228 NAL 0.8728
229 7N8 0.8727
230 TVC 0.8726
231 1UR 0.8723
232 6U5 0.8723
233 C1E 0.8721
234 U4J 0.8721
235 FHV 0.8719
236 52F 0.8719
237 D8Q 0.8718
238 2PK 0.8717
239 W2E 0.8716
240 A64 0.8715
241 GHQ 0.8711
242 5HG 0.8708
243 NVS 0.8708
244 5C1 0.8707
245 F36 0.8704
246 DTB 0.8703
247 8V8 0.8703
248 9RK 0.8701
249 TFX 0.8699
250 1V8 0.8697
251 HGK 0.8695
252 7ZO 0.8695
253 6N4 0.8694
254 FMH 0.8693
255 J2N 0.8691
256 STS 0.8688
257 KU1 0.8687
258 72G 0.8686
259 4VC 0.8685
260 IAG 0.8685
261 11X 0.8684
262 U13 0.8684
263 SWX 0.8682
264 Q8D 0.8682
265 20P 0.8682
266 ALJ 0.8681
267 A63 0.8680
268 1PB 0.8679
269 5VU 0.8679
270 A06 0.8678
271 LR2 0.8676
272 IQQ 0.8676
273 EZL 0.8673
274 2PV 0.8672
275 801 0.8670
276 06R 0.8667
277 LR8 0.8666
278 907 0.8665
279 GVI 0.8664
280 4CF 0.8663
281 AT2 0.8662
282 NRG 0.8661
283 0QR 0.8661
284 246 0.8659
285 JAH 0.8659
286 4BE 0.8658
287 M16 0.8657
288 WDW 0.8657
289 PHE ALA 0.8655
290 UMP 0.8654
291 5XM 0.8654
292 29F 0.8653
293 5LI 0.8646
294 T7O 0.8645
295 XYS XYS 0.8642
296 A51 0.8639
297 C4E 0.8638
298 2GE 0.8638
299 6L6 0.8638
300 CT7 0.8634
301 Q5M 0.8633
302 CBE 0.8632
303 U14 0.8629
304 BON 0.8628
305 0OP 0.8623
306 0S0 0.8621
307 5OR 0.8620
308 XAV 0.8620
309 F18 0.8619
310 XEV 0.8619
311 JCQ 0.8618
312 PNG 0.8616
313 8CV 0.8615
314 EMU 0.8614
315 PB2 0.8613
316 1UZ 0.8610
317 8BD 0.8609
318 JMG 0.8608
319 SNJ 0.8603
320 EST 0.8603
321 7FU 0.8599
322 BO1 0.8598
323 KOT 0.8594
324 A11 0.8592
325 7G0 0.8592
326 3F4 0.8591
327 MR6 0.8588
328 SE5 0.8586
329 789 0.8582
330 BGK 0.8575
331 L43 0.8574
332 MBE 0.8573
333 LI7 0.8572
334 5M2 0.8572
335 E6Q 0.8570
336 ZZA 0.8569
337 JCZ 0.8567
338 RSV 0.8567
339 XI7 0.8565
340 SZ5 0.8563
341 9ME 0.8557
342 L1T 0.8557
343 6DQ 0.8555
344 43G 0.8554
345 6VW 0.8552
346 9C8 0.8550
347 8GP 0.8550
348 VGS 0.8550
349 BDE 0.8549
350 JL7 0.8547
351 K7H 0.8545
352 GEN 0.8532
353 JW2 0.8525
354 F08 0.8523
355 1GV 0.8523
356 EQU 0.8518
357 7GM 0.8512
Ligand no: 2; Ligand: 1Q1; Similar ligands found: 468
No: Ligand Similarity coefficient
1 KWV 0.9667
2 1Q2 0.9463
3 4FC 0.9422
4 1XS 0.9420
5 90G 0.9414
6 5TU 0.9367
7 JSX 0.9324
8 F63 0.9311
9 A6Z 0.9301
10 14N 0.9279
11 613 0.9264
12 6H2 0.9253
13 28A 0.9240
14 0XR 0.9237
15 6P3 0.9237
16 JFS 0.9229
17 6T5 0.9211
18 TEF 0.9201
19 N9M 0.9200
20 NK5 0.9193
21 L2K 0.9184
22 245 0.9179
23 4AF 0.9178
24 0K7 0.9176
25 Q2S 0.9171
26 120 0.9166
27 801 0.9156
28 7KE 0.9155
29 7FZ 0.9148
30 EEK 0.9147
31 124 0.9135
32 3K1 0.9134
33 BX4 0.9129
34 4ZF 0.9117
35 8CC 0.9117
36 7G2 0.9117
37 BMZ 0.9116
38 5C1 0.9112
39 FBC 0.9109
40 CR4 0.9105
41 Z3R 0.9099
42 90M 0.9098
43 5TT 0.9096
44 RB7 0.9094
45 LZ4 0.9087
46 A63 0.9079
47 OJD 0.9077
48 PQS 0.9070
49 3CX 0.9070
50 SYD 0.9062
51 RF2 0.9061
52 0QA 0.9059
53 KLS 0.9059
54 72D 0.9058
55 ZYC 0.9056
56 72G 0.9053
57 D26 0.9051
58 XEV 0.9046
59 PW5 0.9045
60 O53 0.9044
61 91F 0.9044
62 AWE 0.9044
63 08C 0.9041
64 2UV 0.9037
65 IJ4 0.9037
66 LR8 0.9034
67 PQM 0.9033
68 BVS 0.9032
69 HVE 0.9031
70 SNV 0.9030
71 HGK 0.9028
72 397 0.9020
73 TVZ 0.9020
74 U4J 0.9018
75 FHV 0.9017
76 A26 0.9014
77 1UT 0.9010
78 ZEA 0.9010
79 JCQ 0.9007
80 L03 0.9007
81 ZTW 0.9006
82 L15 0.9002
83 WA1 0.8997
84 0MB 0.8996
85 4CN 0.8995
86 0NJ 0.8994
87 W2E 0.8990
88 AD6 0.8987
89 BSU 0.8987
90 GJG 0.8987
91 LJ1 0.8986
92 HPX 0.8984
93 D25 0.8983
94 FCW 0.8983
95 BFL 0.8981
96 G2V 0.8980
97 2OX 0.8978
98 MR4 0.8978
99 SJR 0.8977
100 ESJ 0.8975
101 5YA 0.8975
102 EEY 0.8974
103 S45 0.8974
104 BMC 0.8973
105 SX2 0.8972
106 802 0.8967
107 JAH 0.8966
108 7ZO 0.8965
109 72H 0.8964
110 1UR 0.8963
111 HL6 0.8960
112 QME 0.8956
113 EYY 0.8955
114 1KN 0.8955
115 D2G 0.8955
116 68C 0.8953
117 1R5 0.8950
118 1HP 0.8948
119 EMF 0.8947
120 5ER 0.8947
121 83D 0.8946
122 5R8 0.8938
123 F91 0.8937
124 9EG 0.8937
125 0UL 0.8934
126 K7H 0.8933
127 6SD 0.8930
128 27K 0.8929
129 SWX 0.8927
130 135 0.8926
131 7HV 0.8925
132 IGP 0.8922
133 F36 0.8921
134 F41 0.8918
135 CIU 0.8918
136 JL7 0.8911
137 EAT 0.8910
138 NAL 0.8910
139 G30 0.8907
140 KU1 0.8905
141 23M 0.8902
142 ZUF 0.8901
143 P7V 0.8901
144 JP8 0.8900
145 A9B 0.8897
146 9JT 0.8896
147 1V0 0.8896
148 3N0 0.8896
149 MR5 0.8896
150 5HG 0.8894
151 AT2 0.8890
152 1EB 0.8888
153 9VZ 0.8888
154 TID 0.8886
155 WF4 0.8885
156 LJ5 0.8885
157 4UM 0.8884
158 YZ9 0.8884
159 6U5 0.8881
160 LC1 0.8881
161 5CK 0.8881
162 TVC 0.8881
163 1AJ 0.8878
164 XAV 0.8876
165 121 0.8876
166 WDW 0.8876
167 97K 0.8874
168 31F 0.8874
169 Q92 0.8871
170 06R 0.8870
171 J84 0.8870
172 FLP 0.8868
173 U55 0.8867
174 8M5 0.8866
175 MR6 0.8866
176 BSA 0.8866
177 J2N 0.8862
178 0QX 0.8861
179 CT0 0.8859
180 29F 0.8856
181 GOE 0.8855
182 A64 0.8855
183 TPM 0.8854
184 EES 0.8854
185 HJ1 0.8853
186 7EH 0.8853
187 F18 0.8851
188 J1K 0.8851
189 OLU 0.8849
190 7N8 0.8848
191 C4E 0.8845
192 JVD 0.8845
193 A05 0.8844
194 U13 0.8844
195 L02 0.8842
196 M4N 0.8842
197 5S9 0.8841
198 S1C 0.8840
199 2PK 0.8839
200 D8Q 0.8838
201 P4T 0.8838
202 122 0.8837
203 PIQ 0.8836
204 0OP 0.8834
205 0RY 0.8834
206 KPV 0.8832
207 4P9 0.8829
208 KLE 0.8829
209 5WK 0.8829
210 SZ5 0.8829
211 OSP 0.8828
212 JMG 0.8828
213 8YH 0.8827
214 LJ2 0.8826
215 20N 0.8824
216 AZB 0.8824
217 3F4 0.8822
218 F08 0.8821
219 27F 0.8820
220 6WR 0.8820
221 H50 0.8813
222 P1J 0.8813
223 WCU 0.8811
224 LIT 0.8810
225 2WU 0.8809
226 STL 0.8809
227 GVI 0.8808
228 N5B 0.8808
229 C0V 0.8806
230 RGK 0.8806
231 103 0.8805
232 WA2 0.8804
233 D64 0.8804
234 J3B 0.8802
235 7G0 0.8800
236 572 0.8800
237 H75 0.8799
238 TH1 0.8799
239 5VU 0.8798
240 11X 0.8797
241 1ZC 0.8796
242 IEE 0.8795
243 4G2 0.8791
244 0V7 0.8791
245 47X 0.8790
246 S98 0.8790
247 RPN 0.8790
248 BP5 0.8789
249 G14 0.8787
250 1UZ 0.8786
251 FY8 0.8784
252 AOY 0.8783
253 NFZ 0.8783
254 3CA 0.8781
255 LVY 0.8781
256 E98 0.8780
257 S0D 0.8779
258 TFQ 0.8777
259 1A5 0.8775
260 334 0.8775
261 XYP XYP 0.8774
262 833 0.8773
263 47V 0.8771
264 5B2 0.8771
265 5ZM 0.8769
266 S0A 0.8768
267 2PV 0.8768
268 TRP GLY 0.8768
269 IW4 0.8765
270 5CQ 0.8765
271 HRM 0.8764
272 D9Q 0.8763
273 DFL 0.8760
274 BXS 0.8760
275 8V8 0.8760
276 MN QAY 0.8760
277 1BW 0.8758
278 ERZ 0.8755
279 A5Q 0.8753
280 PTR 0.8752
281 39R 0.8750
282 UAY 0.8750
283 35K 0.8750
284 WLH 0.8749
285 0LA 0.8749
286 6WU 0.8748
287 MFY 0.8748
288 KHP 0.8748
289 LWA 0.8747
290 E92 0.8747
291 907 0.8746
292 RE2 0.8743
293 3VQ 0.8742
294 WG8 0.8740
295 EMU 0.8739
296 V15 0.8738
297 0ON 0.8738
298 0SY 0.8736
299 S0B 0.8736
300 IW5 0.8734
301 GHQ 0.8732
302 K4T 0.8731
303 IW3 0.8730
304 JVB 0.8730
305 7FU 0.8728
306 IY5 0.8727
307 ZZA 0.8727
308 K0G 0.8725
309 6DH 0.8724
310 20D 0.8724
311 CWP 0.8724
312 IPL 0.8722
313 MI2 0.8720
314 MBT 0.8719
315 FZM 0.8718
316 BVB 0.8715
317 ITE 0.8714
318 2P3 0.8713
319 FMH 0.8711
320 2ZI 0.8710
321 ZRK 0.8708
322 5WW 0.8706
323 RE4 0.8706
324 25F 0.8705
325 IAG 0.8704
326 55H 0.8702
327 MRE 0.8700
328 E3X 0.8700
329 15I 0.8700
330 B5A 0.8700
331 RKN 0.8699
332 9C8 0.8699
333 G1L 0.8699
334 K97 0.8699
335 GEN 0.8698
336 KW7 0.8698
337 1V1 0.8697
338 FTK 0.8697
339 ZE7 0.8695
340 A73 0.8694
341 PMM 0.8694
342 3D3 0.8693
343 3S9 0.8693
344 100 0.8693
345 IJ1 0.8692
346 IDZ 0.8689
347 M01 0.8688
348 NVS 0.8684
349 0V8 0.8684
350 D8I 0.8683
351 JKK 0.8683
352 F5N 0.8682
353 22M 0.8681
354 9RM 0.8681
355 205 0.8679
356 LZ5 0.8678
357 123 0.8676
358 A11 0.8675
359 SCE 0.8674
360 42R 0.8673
361 CDJ 0.8673
362 0DF 0.8673
363 A8D 0.8672
364 Y27 0.8671
365 6DQ 0.8670
366 NKI 0.8669
367 SIJ 0.8669
368 EXP 0.8669
369 26C 0.8668
370 BC5 0.8668
371 1V8 0.8667
372 VGS 0.8666
373 IJ6 0.8664
374 4HB 0.8662
375 00G 0.8659
376 2JX 0.8659
377 5DE 0.8657
378 856 0.8655
379 HPK 0.8655
380 XYS XYS 0.8655
381 7EL 0.8655
382 OQR 0.8655
383 PIT 0.8654
384 ODK 0.8654
385 EYJ 0.8650
386 381 0.8648
387 Q5M 0.8648
388 5NR 0.8646
389 OA5 0.8644
390 4BX 0.8644
391 2QV 0.8642
392 L43 0.8642
393 3DE 0.8642
394 YX0 0.8640
395 41L 0.8639
396 A51 0.8638
397 GN5 0.8638
398 I2E 0.8636
399 1FE 0.8636
400 4KJ 0.8636
401 LG6 0.8635
402 3NB 0.8635
403 XYS AZI XYS 0.8631
404 NU3 0.8631
405 QUB 0.8630
406 LI7 0.8630
407 2M7 0.8630
408 NEU 0.8629
409 AX5 0.8629
410 OAQ 0.8627
411 W8L 0.8627
412 EX7 0.8626
413 J38 0.8625
414 J45 0.8625
415 ZRL 0.8622
416 EZL 0.8622
417 789 0.8620
418 VT3 0.8620
419 VC3 0.8619
420 M28 0.8618
421 BON 0.8616
422 TKT 0.8614
423 D9T 0.8614
424 6BK 0.8614
425 0H9 0.8613
426 20P 0.8611
427 AV7 0.8610
428 NEO 0.8607
429 I58 0.8604
430 C0E 0.8603
431 AJ1 0.8599
432 52F 0.8599
433 4ZW 0.8598
434 C9M 0.8598
435 TFX 0.8593
436 T1N 0.8591
437 8UY 0.8586
438 531 0.8586
439 HPZ 0.8584
440 NPZ 0.8581
441 5PV 0.8579
442 FIP 0.8579
443 D53 0.8572
444 80G 0.8571
445 IIH 0.8570
446 MPU 0.8570
447 KWK 0.8569
448 NIY 0.8568
449 JTK 0.8565
450 GYZ 0.8564
451 XYP XDN 0.8564
452 XIF XYP 0.8564
453 MKN 0.8559
454 5SJ 0.8555
455 H35 0.8553
456 F02 0.8553
457 LMZ 0.8547
458 2J1 0.8546
459 NDD 0.8545
460 H2W 0.8540
461 IPO 0.8539
462 VFJ 0.8536
463 OAK 0.8536
464 XDL XYP 0.8536
465 XYP XIM 0.8534
466 3WL 0.8519
467 AVX 0.8515
468 AP6 0.8513
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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