Receptor
PDB id Resolution Class Description Source Keywords
2wbp 1.16 Å EC: 1.14.11.41 CRYSTAL STRUCTURE OF VIOC IN COMPLEX WITH FE(II), (2S,3S)- HYDROXYARGININE, AND SUCCINATE STREPTOMYCES VINACEUS OXIDOREDUCTASE NON-HEME FE(II) HYDROXYLASE CBETA-HYDROXYLATION NRPS VIOMYCIN ALPHA-KETOGLUTARATE
Ref.: STRUCTURAL BASIS FOR THE ERYTHRO-STEREOSPECIFICITY OF THE L-ARGININE OXYGENASE VIOC IN VIOMYCIN BIOSYNTHESIS. FEBS J. V. 276 3669 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG A:1361;
 Valid;
 none;
 submit data
175.209 C6 H15 N4 O2 C(C[C...
FE2 A:1358;
 Part of Protein;
 none;
 submit data
55.845 Fe [Fe+2...
GOL A:1362;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
SIN A:1360;
 Valid;
 none;
 submit data
118.088 C4 H6 O4 C(CC(...
ZZU A:1359;
 Valid;
 none;
 submit data
190.2 C6 H14 N4 O3 C(CNC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WBQ 1.1 Å EC: 1.14.11.41 CRYSTAL STRUCTURE OF VIOC IN COMPLEX WITH (2S,3S)- HYDROXYARGININE STREPTOMYCES VINACEUS OXIDOREDUCTASE NON-HEME FE(II) HYDROXYLASE CBETA- HYDROXYLATION L-ARGININE OXYGENASE NRPS VIOMYCIN ALPHA-KETOGLUTARATE
Ref.: STRUCTURAL BASIS FOR THE ERYTHRO-STEREOSPECIFICITY OF THE L-ARGININE OXYGENASE VIOC IN VIOMYCIN BIOSYNTHESIS. FEBS J. V. 276 3669 2009
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6Y0N - AKG C5 H6 O5 C(CC(=O)O)....
9 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
10 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
11 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
12 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
13 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
14 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
15 6Y12 - ZZU C6 H14 N4 O3 C(CNC(=N)N....
16 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6Y0N - AKG C5 H6 O5 C(CC(=O)O)....
9 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
10 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
11 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
12 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
13 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
14 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
15 6Y12 - ZZU C6 H14 N4 O3 C(CNC(=N)N....
16 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6Y0N - AKG C5 H6 O5 C(CC(=O)O)....
9 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
10 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
11 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
12 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
13 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
14 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
15 6Y12 - ZZU C6 H14 N4 O3 C(CNC(=N)N....
16 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
17 6DAW - ARG C6 H15 N4 O2 C(C[C@@H](....
18 4M2G - 2OR C6 H15 N4 O4 C([C@H]([C....
19 4M26 - ZZU C6 H14 N4 O3 C(CNC(=N)N....
20 4M2E - HRG C7 H16 N4 O2 C(CCNC(=N)....
21 4M2C - DAR C6 H15 N4 O2 C(C[C@H](C....
22 4M25 - AKG C5 H6 O5 C(CC(=O)O)....
23 4M2F - GGB C5 H12 N4 O3 [H]/N=C(N)....
24 4M27 - ARG C6 H15 N4 O2 C(C[C@@H](....
25 4NE0 - SIN C4 H6 O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 DAR 1 1
2 ARG 1 1
3 CIR 0.735294 0.763158
4 AAR 0.705882 0.783784
5 ILO 0.615385 0.783784
6 3AR 0.595238 0.891892
7 4JK 0.585366 0.789474
8 NMM 0.585366 0.888889
9 HAR 0.585366 0.780488
10 VUR 0.585366 0.810811
11 VIO 0.581395 0.769231
12 WT2 0.571429 0.805556
13 DA2 0.55814 0.744186
14 2YH 0.545455 0.65
15 3KJ 0.545455 0.680851
16 2MR 0.545455 0.864865
17 1KJ 0.533333 0.744186
18 JM2 0.533333 0.731707
19 NRG 0.521739 0.622642
20 RPI 0.521739 0.64
21 2YJ 0.521739 0.619048
22 API 0.515152 0.611111
23 LN6 0.510638 0.725
24 JM7 0.5 0.731707
25 ARG VAL 0.5 0.744186
26 HRG 0.5 0.941176
27 LYS ARG LYS ARG LYS ARG LYS ARG 0.5 0.848485
28 AS1 0.489796 0.8
29 D20 0.489796 0.744186
30 2KJ 0.489796 0.727273
31 ORN 0.472222 0.757576
32 JM4 0.470588 0.697674
33 JM6 0.470588 0.697674
34 JM8 0.470588 0.714286
35 MLZ 0.463415 0.65
36 ARG ASP 0.461538 0.744186
37 JM5 0.461538 0.714286
38 ARG GLU 0.45283 0.761905
39 DLY 0.447368 0.735294
40 DAB 0.441176 0.685714
41 LYS 0.435897 0.764706
42 0TF 0.428571 0.619048
43 2YG 0.42 0.619048
44 ALA ARG 0.42 0.780488
45 PG3 0.416667 0.756757
46 6CL 0.414634 0.638889
47 BEZ NLE LYS ARG OAR 0.413793 0.75
Ligand no: 2; Ligand: SIN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 3OH 0.6 0.65
3 SHF 0.588235 0.684211
4 SLP 0.5625 0.6
5 GUA 0.5625 0.882353
6 0L1 0.5625 0.833333
7 BUA 0.5625 0.611111
8 AKG 0.526316 0.833333
9 2IT 0.5 0.625
10 MLA 0.5 0.722222
11 PML 0.5 0.789474
12 AZ1 0.473684 0.75
13 SSN 0.473684 0.866667
14 OKG 0.454545 0.7
15 TCE 0.45 0.625
16 SHO 0.428571 0.619048
17 9J3 0.416667 0.608696
Ligand no: 3; Ligand: ZZU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 ZZU 1 1
2 G3M 0.65 0.947368
3 CUW 0.45 0.763158
4 HRG 0.422222 0.794872
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG; Similar ligands found: 663
No: Ligand Similarity coefficient
1 2M7 1.0000
2 GGB 0.9987
3 MLY 0.9957
4 NPI 0.9877
5 IAR 0.9808
6 6HN 0.9763
7 EXY 0.9757
8 DHH 0.9716
9 ABH 0.9712
10 JX7 0.9650
11 ZZU 0.9621
12 26P 0.9575
13 L06 0.9562
14 LVD 0.9550
15 NNH 0.9549
16 M3L 0.9547
17 AHL 0.9544
18 EGV 0.9522
19 HOC 0.9487
20 ENW 0.9464
21 2FM 0.9456
22 4DI 0.9455
23 ENV 0.9446
24 LPB 0.9434
25 E8U 0.9434
26 PML 0.9432
27 FB6 0.9418
28 CLT 0.9417
29 2NP 0.9415
30 11C 0.9411
31 GVA 0.9410
32 UN1 0.9406
33 NOT 0.9392
34 4ZD 0.9385
35 9YT 0.9379
36 SZ7 0.9358
37 AHN 0.9352
38 011 0.9351
39 TEG 0.9349
40 OOG 0.9343
41 4TB 0.9342
42 ONH 0.9341
43 58X 0.9339
44 OCA 0.9336
45 M3P 0.9334
46 SLZ 0.9329
47 Z70 0.9329
48 HFA 0.9326
49 2OR 0.9326
50 5AB 0.9322
51 S2C 0.9322
52 P80 0.9321
53 XRS 0.9321
54 LPA 0.9316
55 N8C 0.9313
56 ALY 0.9308
57 FK8 0.9307
58 PHE 0.9305
59 XRX 0.9303
60 MF3 0.9298
61 PBA 0.9284
62 LYN 0.9275
63 A51 0.9262
64 8AC 0.9262
65 N9J 0.9260
66 1HS 0.9259
67 NFZ 0.9256
68 9J6 0.9255
69 64Z 0.9254
70 DHC 0.9247
71 LUQ 0.9238
72 KAP 0.9233
73 GRQ 0.9231
74 DDK 0.9230
75 NFA 0.9227
76 J9Y 0.9226
77 MHN 0.9223
78 6C4 0.9221
79 AOY 0.9217
80 HIC 0.9217
81 7OD 0.9216
82 GB5 0.9212
83 M1T 0.9212
84 HCI 0.9211
85 KDG 0.9210
86 KNA 0.9208
87 DNN 0.9207
88 TYR 0.9205
89 HJD 0.9205
90 F98 0.9205
91 DA3 0.9204
92 1N5 0.9202
93 Q9Z 0.9201
94 YZM 0.9198
95 CXP 0.9196
96 AG2 0.9195
97 DKA 0.9193
98 LZ5 0.9190
99 SB7 0.9188
100 DXG 0.9185
101 1PS 0.9183
102 DZA 0.9182
103 4YZ 0.9182
104 PFF 0.9180
105 DTY 0.9179
106 5OY 0.9175
107 YOF 0.9174
108 KPV 0.9173
109 CCU 0.9173
110 DAH 0.9171
111 7XA 0.9171
112 FXY 0.9169
113 3YP 0.9168
114 11X 0.9168
115 6C5 0.9166
116 5PV 0.9163
117 M6H 0.9161
118 EN1 0.9161
119 RGP 0.9159
120 PRO GLY 0.9159
121 DDW 0.9158
122 GLR 0.9158
123 3H2 0.9154
124 XI7 0.9153
125 TCA 0.9153
126 HC4 0.9152
127 ODI 0.9149
128 3GZ 0.9149
129 B3U 0.9142
130 T03 0.9141
131 O45 0.9141
132 AE3 0.9140
133 OC9 0.9137
134 PO6 0.9137
135 HLP 0.9134
136 PBN 0.9132
137 DLT 0.9131
138 P81 0.9131
139 P7Y 0.9129
140 5KJ 0.9128
141 G3M 0.9126
142 TB8 0.9126
143 6C9 0.9125
144 HGA 0.9124
145 HPP 0.9121
146 4TP 0.9120
147 C82 0.9120
148 P93 0.9119
149 AHC 0.9117
150 0L1 0.9115
151 IVL 0.9115
152 HPL 0.9113
153 6FG 0.9113
154 E79 0.9112
155 650 0.9112
156 SPD 0.9112
157 TZM 0.9109
158 PPT 0.9109
159 DER 0.9106
160 KPC 0.9105
161 DIR 0.9103
162 XOG 0.9103
163 CUW 0.9093
164 TZP 0.9090
165 1BN 0.9090
166 NSD 0.9084
167 OJD 0.9083
168 JFM 0.9082
169 S2P 0.9081
170 4BF 0.9080
171 HIS 0.9079
172 ENO 0.9079
173 IYR 0.9079
174 2JJ 0.9078
175 PHI 0.9073
176 0A9 0.9068
177 J4K 0.9065
178 DIA 0.9064
179 AOT 0.9064
180 LL2 0.9063
181 TYC 0.9063
182 3VQ 0.9061
183 S0W 0.9061
184 MJW 0.9060
185 PPY 0.9059
186 EYJ 0.9058
187 OYA 0.9058
188 Q06 0.9055
189 KPA 0.9054
190 XIZ 0.9054
191 SB9 0.9052
192 MD6 0.9050
193 RP3 0.9050
194 5LD 0.9050
195 S8V 0.9046
196 TYE 0.9044
197 S7D 0.9037
198 848 0.9036
199 DPN 0.9035
200 2J3 0.9034
201 I58 0.9033
202 7C3 0.9030
203 GZ2 0.9030
204 KTA 0.9029
205 D10 0.9028
206 GAE 0.9028
207 7BC 0.9027
208 BNF 0.9024
209 F90 0.9023
210 KQY 0.9022
211 TOH 0.9021
212 4LW 0.9020
213 37E 0.9018
214 5TO 0.9013
215 SHV 0.9013
216 NWH 0.9012
217 6MW 0.9012
218 G14 0.9010
219 EQA 0.9010
220 ACA 0.9009
221 4LV 0.9008
222 IJ6 0.9005
223 1H1 0.9002
224 GO2 0.9000
225 AZM 0.8999
226 1L5 0.8998
227 FOM 0.8997
228 ISA 0.8996
229 C53 0.8995
230 HX8 0.8988
231 ODK 0.8987
232 KLS 0.8986
233 4BX 0.8984
234 HNL 0.8984
235 R10 0.8983
236 3PG 0.8981
237 DHM 0.8981
238 HPO 0.8981
239 7UC 0.8978
240 3QO 0.8978
241 SHI 0.8978
242 BRH 0.8978
243 3IP 0.8977
244 GLY GLY GLY 0.8975
245 HSA 0.8973
246 PH3 0.8973
247 B40 0.8972
248 QFJ 0.8972
249 5DL 0.8972
250 MES 0.8969
251 HG3 0.8969
252 AKG 0.8966
253 SEP 0.8965
254 HL4 0.8965
255 RA7 0.8964
256 8SZ 0.8963
257 4Z0 0.8962
258 ZZA 0.8962
259 SOJ 0.8961
260 7R4 0.8961
261 NMH 0.8960
262 DXP 0.8960
263 492 0.8958
264 PA5 0.8957
265 SSC 0.8957
266 DEZ 0.8956
267 0A1 0.8956
268 YIE 0.8955
269 S0A 0.8952
270 MMS 0.8949
271 HPN 0.8947
272 9GB 0.8946
273 2HC 0.8944
274 DYT 0.8941
275 HXY 0.8941
276 4FE 0.8940
277 TPM 0.8939
278 4XF 0.8937
279 268 0.8936
280 FER 0.8935
281 JF5 0.8935
282 QH3 0.8931
283 ABF 0.8931
284 X48 0.8928
285 S8D 0.8927
286 EQW 0.8925
287 KLE 0.8925
288 BSA 0.8924
289 GJK 0.8922
290 F06 0.8921
291 LLH 0.8920
292 VC3 0.8919
293 JPQ 0.8918
294 6Q3 0.8918
295 ALE 0.8915
296 36M 0.8915
297 D4G 0.8914
298 ALA GLU 0.8913
299 258 0.8911
300 GLU 0.8911
301 0NX 0.8909
302 92G 0.8909
303 TBJ 0.8909
304 7MW 0.8908
305 GGG 0.8908
306 R9J 0.8907
307 DI6 0.8907
308 MEQ 0.8906
309 PAU 0.8905
310 RQD 0.8904
311 D8Q 0.8904
312 6HO 0.8904
313 GNW 0.8903
314 9VQ 0.8903
315 13P 0.8903
316 9C2 0.8902
317 YIP 0.8900
318 BZQ 0.8900
319 TMG 0.8899
320 3VW 0.8898
321 M5E 0.8897
322 M74 0.8896
323 2FX 0.8893
324 PRA 0.8892
325 OGA 0.8892
326 IPO 0.8892
327 GCO 0.8891
328 HJH 0.8890
329 QUS 0.8890
330 A5E 0.8887
331 B41 0.8886
332 GOE 0.8886
333 BL0 0.8884
334 BHU 0.8882
335 I2E 0.8880
336 E0O 0.8879
337 0XR 0.8878
338 N6C 0.8877
339 HX4 0.8877
340 3CX 0.8875
341 SNR 0.8875
342 YPN 0.8873
343 M5B 0.8872
344 CUQ 0.8871
345 K6V 0.8868
346 5DS 0.8868
347 5XA 0.8867
348 KYN 0.8866
349 YIH 0.8865
350 5O5 0.8865
351 GVY 0.8865
352 795 0.8864
353 LT1 0.8864
354 4KJ 0.8862
355 7O4 0.8861
356 DMA 0.8861
357 Y3L 0.8860
358 56D 0.8860
359 S8G 0.8858
360 AT3 0.8857
361 3OL 0.8855
362 3OM 0.8855
363 14W 0.8854
364 PMV 0.8854
365 R5P 0.8853
366 263 0.8853
367 1X4 0.8850
368 R2P 0.8850
369 6XA 0.8849
370 6C8 0.8849
371 SSB 0.8848
372 S0F 0.8847
373 FHC 0.8847
374 BP7 0.8846
375 DX5 0.8846
376 8CC 0.8845
377 61M 0.8845
378 1YO 0.8845
379 LXP 0.8845
380 I38 0.8845
381 6FR 0.8844
382 OHJ 0.8844
383 TIH 0.8844
384 47V 0.8842
385 4FP 0.8842
386 GLN 0.8841
387 FHV 0.8838
388 ONL 0.8837
389 RAT 0.8837
390 6ZX 0.8835
391 P58 0.8834
392 A5P 0.8833
393 RE4 0.8832
394 IAC 0.8830
395 XCG 0.8829
396 ATX 0.8829
397 FB5 0.8829
398 CS2 0.8827
399 G3P 0.8827
400 7VP 0.8827
401 BVS 0.8826
402 5SP 0.8826
403 H35 0.8825
404 QIV 0.8825
405 IPE 0.8824
406 RP5 0.8823
407 LX1 0.8823
408 CCD 0.8820
409 D3G 0.8818
410 NYL 0.8817
411 ASF 0.8816
412 XDE 0.8816
413 54F 0.8815
414 EOU 0.8815
415 68B 0.8812
416 MVH 0.8812
417 E4P 0.8809
418 AMQ 0.8809
419 2D2 0.8808
420 Q04 0.8807
421 G3H 0.8807
422 M75 0.8805
423 HHI 0.8802
424 FZM 0.8802
425 NTU 0.8800
426 DED 0.8800
427 M45 0.8799
428 ZIP 0.8799
429 SME 0.8799
430 HPV 0.8798
431 TRP 0.8798
432 CXH 0.8797
433 HSX 0.8795
434 RES 0.8794
435 L22 0.8794
436 QME 0.8793
437 GB4 0.8790
438 6P3 0.8790
439 XQI 0.8789
440 2IT 0.8789
441 GGL 0.8789
442 N7I 0.8788
443 1OV 0.8787
444 PTB 0.8786
445 BZM 0.8786
446 9BF 0.8786
447 3XH 0.8785
448 2FT 0.8784
449 0ON 0.8783
450 PLP 0.8781
451 A3M 0.8781
452 JMG 0.8780
453 DHI 0.8780
454 9B3 0.8780
455 MSL 0.8780
456 DGL 0.8779
457 22F 0.8778
458 X1R 0.8777
459 NF3 0.8777
460 0OL 0.8776
461 HL6 0.8775
462 4CF 0.8771
463 S2G 0.8771
464 0K7 0.8770
465 P3S 0.8769
466 1VK 0.8765
467 363 0.8764
468 E3X 0.8762
469 CBE 0.8761
470 NK5 0.8759
471 27K 0.8759
472 BNL 0.8759
473 5H6 0.8758
474 BPW 0.8757
475 YE6 0.8755
476 MPV 0.8755
477 FWD 0.8755
478 1A5 0.8754
479 A5H 0.8754
480 Y4L 0.8754
481 6L6 0.8753
482 9JT 0.8753
483 N2Y 0.8752
484 EYV 0.8751
485 5WN 0.8751
486 LR2 0.8750
487 6J5 0.8750
488 GUA 0.8747
489 B3M 0.8746
490 WA2 0.8744
491 5OO 0.8743
492 S0D 0.8743
493 JCZ 0.8742
494 FF2 0.8741
495 KTJ 0.8740
496 TX4 0.8739
497 SYM 0.8739
498 5WZ 0.8736
499 DGN 0.8735
500 3VX 0.8735
501 TL6 0.8733
502 IOP 0.8733
503 IP8 0.8731
504 0QA 0.8731
505 9ON 0.8731
506 A8K 0.8729
507 3HG 0.8729
508 LDP 0.8729
509 GPJ 0.8728
510 GPF 0.8728
511 S6P 0.8727
512 5RP 0.8727
513 152 0.8727
514 D2G 0.8725
515 1Z6 0.8725
516 SOL 0.8725
517 FZ3 0.8724
518 U4G 0.8723
519 PLR 0.8721
520 2HG 0.8717
521 CFA 0.8717
522 9SE 0.8717
523 8GL 0.8716
524 ZRK 0.8716
525 MNP 0.8713
526 J9N 0.8712
527 6SD 0.8712
528 GP9 0.8711
529 KMY 0.8710
530 OCT 0.8710
531 URO 0.8708
532 SOR 0.8707
533 KMH 0.8705
534 WA1 0.8705
535 ERZ 0.8703
536 TLM 0.8702
537 0OY 0.8701
538 LO1 0.8700
539 HWD 0.8700
540 LSQ 0.8700
541 4Z3 0.8699
542 DHY 0.8698
543 RKV 0.8698
544 MHO 0.8697
545 LJ1 0.8696
546 3C4 0.8696
547 3VS 0.8695
548 XX3 0.8695
549 F6R 0.8694
550 N91 0.8694
551 HNM 0.8692
552 CPZ 0.8692
553 XDK 0.8691
554 3S5 0.8691
555 50C 0.8690
556 BQ2 0.8690
557 FCD 0.8687
558 MUK 0.8687
559 JAH 0.8683
560 41K 0.8682
561 M6R 0.8682
562 IPR 0.8681
563 PGH 0.8681
564 PAN 0.8681
565 MT2 0.8680
566 MSR 0.8678
567 8CV 0.8677
568 OKP 0.8674
569 SNU 0.8673
570 D1G 0.8672
571 1HR 0.8669
572 V15 0.8669
573 K7M 0.8669
574 CIY 0.8667
575 U13 0.8667
576 3CR 0.8666
577 129 0.8666
578 3D3 0.8659
579 ZEA 0.8655
580 CHH 0.8655
581 PC 0.8655
582 CCE 0.8653
583 F18 0.8652
584 1GP 0.8651
585 X6P 0.8649
586 AEH 0.8648
587 2ED 0.8648
588 H4E 0.8645
589 CK2 0.8645
590 HE8 0.8642
591 TID 0.8642
592 KTW 0.8642
593 VM1 0.8641
594 EIP 0.8641
595 HHH 0.8640
596 IOS 0.8637
597 0SY 0.8636
598 DST 0.8636
599 ALA ALA 0.8635
600 JZA 0.8634
601 0OP 0.8633
602 EGR 0.8632
603 FPL 0.8631
604 ISY 0.8630
605 RUJ 0.8630
606 ESX 0.8629
607 A5Q 0.8628
608 5VU 0.8627
609 D9Z 0.8626
610 B21 0.8626
611 MET 0.8623
612 TAG 0.8622
613 AAN 0.8620
614 GLO 0.8618
615 YTX 0.8616
616 RNO 0.8615
617 IWT 0.8614
618 XEN 0.8612
619 F4E 0.8611
620 ICT 0.8608
621 J6W 0.8607
622 36Y 0.8605
623 OJM 0.8605
624 DTR 0.8604
625 G6Q 0.8601
626 G6P 0.8599
627 C5A 0.8599
628 PSE 0.8598
629 A29 0.8598
630 RTK 0.8597
631 ESP 0.8595
632 80G 0.8590
633 AEF 0.8589
634 F63 0.8589
635 STT 0.8588
636 SNO 0.8588
637 BZE 0.8587
638 K6H 0.8586
639 SX2 0.8586
640 AMH 0.8584
641 ESI 0.8581
642 3LJ 0.8580
643 55D 0.8580
644 6TZ 0.8579
645 78Y 0.8577
646 EVF 0.8576
647 1A7 0.8569
648 428 0.8565
649 LNR 0.8564
650 8YH 0.8562
651 NM3 0.8562
652 9ZE 0.8561
653 R20 0.8557
654 7EH 0.8550
655 YTZ 0.8550
656 6PG 0.8548
657 DTB 0.8546
658 M1Z 0.8545
659 AFS 0.8534
660 6KT 0.8531
661 0F3 0.8517
662 AGP 0.8514
663 CWD 0.8510
Ligand no: 2; Ligand: SIN; Similar ligands found: 876
No: Ligand Similarity coefficient
1 FUM 1.0000
2 GAG 1.0000
3 BEZ 1.0000
4 MAE 1.0000
5 OAA 1.0000
6 H95 1.0000
7 HX2 1.0000
8 NMG 1.0000
9 4MV 0.9980
10 OEG 0.9902
11 ASP 0.9816
12 URP 0.9795
13 MLT 0.9789
14 LEA 0.9761
15 LMR 0.9760
16 DYA 0.9758
17 COI 0.9756
18 OK7 0.9751
19 UGC 0.9747
20 DQY 0.9744
21 CMS 0.9733
22 VKC 0.9731
23 SPA 0.9714
24 ASN 0.9703
25 2RH 0.9700
26 ABU 0.9690
27 TEO 0.9687
28 IOM 0.9677
29 CRN 0.9677
30 GLY GLY 0.9675
31 ITN 0.9673
32 MLI 0.9663
33 98J 0.9641
34 JYD 0.9641
35 DAS 0.9637
36 NXA 0.9629
37 PGA 0.9615
38 0VT 0.9612
39 PG3 0.9608
40 HTX 0.9605
41 DAV 0.9590
42 BUB 0.9589
43 LEU 0.9583
44 HDA 0.9577
45 ALO 0.9575
46 PRO 0.9567
47 GLU 0.9556
48 VAL 0.9553
49 KIV 0.9552
50 TFB 0.9549
51 AKB 0.9549
52 G3P 0.9548
53 6NA 0.9544
54 4JU 0.9541
55 FBJ 0.9541
56 40E 0.9541
57 THR 0.9539
58 JZ5 0.9535
59 IPU 0.9528
60 X1S 0.9525
61 IVA 0.9523
62 THE 0.9520
63 1KA 0.9517
64 A8C 0.9514
65 DMG 0.9511
66 PCA 0.9505
67 1GP 0.9503
68 2MH 0.9500
69 P2D 0.9498
70 HSE 0.9496
71 9X7 0.9489
72 HZP 0.9486
73 PUT 0.9484
74 IQ0 0.9478
75 54D 0.9473
76 AAE 0.9471
77 UYA 0.9467
78 PAC 0.9463
79 ILE 0.9461
80 ETX 0.9458
81 T2C 0.9453
82 3PP 0.9451
83 VAH 0.9444
84 AL0 0.9442
85 MLM 0.9442
86 DAB 0.9440
87 MAK 0.9439
88 GLN 0.9438
89 DXX 0.9437
90 C21 0.9435
91 2RA 0.9433
92 9X6 0.9432
93 PAE 0.9432
94 NCA 0.9430
95 IZC 0.9425
96 9YL 0.9420
97 BMD 0.9417
98 2PC 0.9415
99 HYP 0.9414
100 PRS 0.9413
101 SRT 0.9409
102 GLL 0.9408
103 O8Y 0.9408
104 YIV 0.9408
105 K34 0.9407
106 BEN 0.9406
107 UY7 0.9404
108 DPR 0.9403
109 2KT 0.9401
110 4HA 0.9401
111 273 0.9398
112 3HR 0.9398
113 MUC 0.9397
114 URO 0.9397
115 69O 0.9390
116 49F 0.9389
117 FQI 0.9388
118 TP5 0.9386
119 3HL 0.9384
120 HCS 0.9382
121 DSN 0.9382
122 BML 0.9382
123 282 0.9381
124 NVA 0.9381
125 IHG 0.9381
126 PAH 0.9377
127 3PY 0.9376
128 FPI 0.9376
129 HSO 0.9375
130 NIO 0.9374
131 DGN 0.9373
132 TZC 0.9370
133 S0H 0.9370
134 4CH 0.9368
135 SER 0.9366
136 HSM 0.9364
137 XAP 0.9362
138 16D 0.9362
139 BXO 0.9359
140 SD4 0.9358
141 3SL 0.9357
142 PBC 0.9357
143 TAR 0.9356
144 7WG 0.9355
145 MEQ 0.9355
146 AG2 0.9353
147 ZBT 0.9352
148 BAM 0.9347
149 TLA 0.9344
150 SS2 0.9342
151 A20 0.9342
152 OPE 0.9342
153 DE5 0.9341
154 ISZ 0.9340
155 HE2 0.9339
156 QFH 0.9339
157 CCE 0.9338
158 TB6 0.9337
159 SPV 0.9334
160 CFI 0.9333
161 CIZ 0.9331
162 JBN 0.9328
163 HBA 0.9328
164 PGH 0.9327
165 1DU 0.9326
166 AC0 0.9325
167 AHB 0.9325
168 PG0 0.9324
169 6PC 0.9324
170 CP 0.9322
171 C5J 0.9319
172 FOA 0.9318
173 BHH 0.9317
174 3SS 0.9314
175 GGL 0.9314
176 SMB 0.9314
177 PAF 0.9313
178 SMV 0.9313
179 13P 0.9313
180 7N0 0.9311
181 PE9 0.9311
182 PEP 0.9310
183 192 0.9310
184 7VD 0.9310
185 R2B 0.9310
186 BNS 0.9307
187 PHU 0.9307
188 LTL 0.9307
189 PYC 0.9306
190 EOU 0.9305
191 HIO 0.9304
192 QY9 0.9304
193 ECE 0.9301
194 UNU 0.9300
195 M6W 0.9299
196 2HG 0.9299
197 GG6 0.9299
198 ACH 0.9297
199 ORN 0.9295
200 LNO 0.9294
201 A3B 0.9293
202 AC5 0.9293
203 NTN 0.9293
204 265 0.9293
205 NIZ 0.9292
206 HL5 0.9291
207 ABN 0.9290
208 AML 0.9290
209 9ON 0.9289
210 R67 0.9288
211 ROR 0.9287
212 FBM 0.9286
213 23B 0.9286
214 F9P 0.9284
215 OCT 0.9284
216 7BC 0.9283
217 M4T 0.9283
218 TZL 0.9282
219 NBN 0.9282
220 5XA 0.9281
221 LLQ 0.9278
222 GP9 0.9277
223 URQ 0.9276
224 RSO 0.9276
225 GLY ALA 0.9274
226 WTZ 0.9273
227 IP8 0.9272
228 XBT 0.9272
229 TFS 0.9271
230 M58 0.9270
231 BE7 0.9269
232 BHO 0.9267
233 SKG 0.9267
234 PSE 0.9267
235 ZGL 0.9264
236 BUQ 0.9263
237 ONL 0.9262
238 CYS 0.9262
239 14J 0.9262
240 BP9 0.9262
241 2CO 0.9260
242 RBL 0.9259
243 QSC 0.9258
244 SAT 0.9256
245 PZA 0.9254
246 N6C 0.9253
247 I4B 0.9253
248 MPD 0.9251
249 BAL 0.9249
250 TPA 0.9248
251 DGL 0.9246
252 3S5 0.9246
253 PZI 0.9245
254 EHM 0.9245
255 DE2 0.9244
256 G3H 0.9243
257 FEH 0.9242
258 MTD 0.9240
259 SS1 0.9238
260 DGY 0.9238
261 03W 0.9238
262 LER 0.9237
263 23W 0.9237
264 2IM 0.9236
265 4VP 0.9234
266 ICF 0.9231
267 HYA 0.9230
268 LG4 0.9230
269 1DQ 0.9229
270 HIU 0.9228
271 PPR 0.9226
272 HQE 0.9225
273 URS 0.9223
274 S2G 0.9223
275 NBZ 0.9222
276 SHV 0.9221
277 YCP 0.9216
278 5FX 0.9214
279 2AS 0.9214
280 1SP 0.9214
281 PLQ 0.9214
282 MRZ 0.9213
283 QDK 0.9212
284 FW5 0.9211
285 PKU 0.9209
286 XYL 0.9208
287 RB0 0.9208
288 RB5 0.9208
289 HAI 0.9206
290 1SH 0.9206
291 9TY 0.9205
292 HP6 0.9204
293 129 0.9203
294 MSF 0.9203
295 CXF 0.9203
296 FPY 0.9200
297 GJZ 0.9200
298 IXW 0.9200
299 HBX 0.9197
300 266 0.9195
301 VGL 0.9195
302 MRY 0.9195
303 PEQ 0.9194
304 3V4 0.9193
305 AMC 0.9193
306 PPV 0.9192
307 1PT 0.9192
308 DSS 0.9190
309 I1E 0.9189
310 HIS 0.9189
311 3BB 0.9188
312 1AC 0.9188
313 XUL 0.9187
314 1SA 0.9186
315 PCR 0.9186
316 NBE 0.9186
317 PCT 0.9184
318 OGA 0.9182
319 DBB 0.9182
320 MZ0 0.9182
321 C2N 0.9179
322 C2B 0.9179
323 ABA 0.9178
324 IDM 0.9177
325 HUI 0.9177
326 R9M 0.9176
327 DCY 0.9176
328 PXY 0.9176
329 0V5 0.9175
330 CYX 0.9175
331 KMH 0.9173
332 4JL 0.9172
333 FLA 0.9170
334 SYN 0.9169
335 PYJ 0.9168
336 JAB 0.9166
337 AC6 0.9162
338 FPN 0.9161
339 8EW 0.9160
340 XLS 0.9160
341 FBA 0.9160
342 CXL 0.9158
343 PY7 0.9158
344 3OL 0.9157
345 3OM 0.9157
346 4LR 0.9156
347 XRG 0.9155
348 NPO 0.9151
349 JZ7 0.9151
350 B24 0.9149
351 HY1 0.9148
352 DA1 0.9146
353 TAU 0.9145
354 DTL 0.9142
355 APY 0.9141
356 7A8 0.9141
357 HVQ 0.9140
358 4HS 0.9139
359 RNS 0.9137
360 FSG 0.9137
361 6JN 0.9134
362 CEJ 0.9134
363 CSS 0.9131
364 PIS 0.9129
365 FAN 0.9129
366 FCN 0.9129
367 TIU 0.9128
368 GZ3 0.9128
369 URF 0.9127
370 PHB 0.9127
371 1DV 0.9125
372 DMV 0.9124
373 MZW 0.9124
374 SNE 0.9123
375 LDU 0.9122
376 PEA 0.9121
377 DCL 0.9121
378 25R 0.9120
379 ITU 0.9119
380 PPF 0.9119
381 PRI 0.9118
382 KG7 0.9116
383 39J 0.9116
384 NLE 0.9116
385 3HG 0.9113
386 CHT 0.9113
387 7CL 0.9111
388 1MR 0.9108
389 PEL 0.9106
390 EDG 0.9106
391 XM0 0.9103
392 5BR 0.9103
393 3OC 0.9101
394 PAB 0.9099
395 CYH 0.9099
396 R1X 0.9098
397 AOA 0.9096
398 IT2 0.9096
399 271 0.9095
400 SGL 0.9092
401 280 0.9092
402 GBD 0.9091
403 HBD 0.9091
404 3HB 0.9089
405 HY3 0.9088
406 WBU 0.9088
407 OXQ 0.9084
408 POA 0.9083
409 60P 0.9083
410 GPJ 0.9083
411 GPF 0.9083
412 RNT 0.9080
413 GAB 0.9080
414 SEP 0.9080
415 COM 0.9079
416 P72 0.9079
417 MET 0.9075
418 ACA 0.9074
419 OHG 0.9072
420 BU4 0.9070
421 FMS 0.9070
422 8X3 0.9070
423 KMT 0.9067
424 MED 0.9067
425 KVV 0.9059
426 TZE 0.9059
427 WCE 0.9055
428 MEU 0.9054
429 1Y6 0.9053
430 4JN 0.9053
431 KPL 0.9052
432 FB2 0.9050
433 BTL 0.9050
434 JAE 0.9050
435 PMB 0.9048
436 J9N 0.9047
437 M3H 0.9046
438 J1Z 0.9046
439 MTG 0.9044
440 8K2 0.9040
441 4CS 0.9039
442 I2M 0.9038
443 3NT 0.9038
444 IMR 0.9037
445 XPO 0.9037
446 3AB 0.9037
447 PLU 0.9036
448 CHH 0.9035
449 5HN 0.9035
450 ODV 0.9035
451 BZX 0.9033
452 25T 0.9033
453 3LR 0.9033
454 A2Q 0.9032
455 NM2 0.9029
456 NM3 0.9029
457 POP 0.9028
458 V1L 0.9027
459 NVI 0.9026
460 PYF 0.9026
461 8GC 0.9024
462 PBZ 0.9024
463 826 0.9023
464 53C 0.9023
465 4SD 0.9018
466 ISU 0.9018
467 IPH 0.9017
468 CCU 0.9015
469 OVV 0.9015
470 J9T 0.9010
471 HV2 0.9010
472 DTU 0.9007
473 P7I 0.9006
474 ABV 0.9006
475 PIY 0.9006
476 9SB 0.9004
477 9RW 0.9002
478 SAR 0.9002
479 CCD 0.9001
480 BHL 0.8999
481 NF3 0.8996
482 5AC 0.8994
483 DPF 0.8993
484 M45 0.8993
485 4MA 0.8993
486 BVG 0.8992
487 SMN 0.8992
488 CEE 0.8992
489 FOC 0.8992
490 MXN 0.8991
491 EFS 0.8991
492 ICC 0.8988
493 1AB 0.8988
494 K7M 0.8988
495 GOJ 0.8988
496 14O 0.8987
497 F60 0.8986
498 4XR 0.8985
499 2HA 0.8985
500 JZ9 0.8984
501 2HE 0.8983
502 2EH 0.8980
503 650 0.8979
504 PIM 0.8978
505 SC2 0.8977
506 5H1 0.8975
507 3BZ 0.8973
508 IOL 0.8971
509 MNN 0.8971
510 0CT 0.8970
511 BZF 0.8969
512 2K4 0.8967
513 PZM 0.8967
514 HMH 0.8966
515 2FT 0.8966
516 BVC 0.8962
517 6AI 0.8962
518 PC 0.8961
519 2PN 0.8959
520 ETM 0.8959
521 9CL 0.8958
522 1MC 0.8958
523 HPN 0.8957
524 SW7 0.8957
525 BZI 0.8957
526 URA 0.8957
527 RMN 0.8956
528 4P5 0.8956
529 FJO 0.8955
530 EGD 0.8949
531 Z82 0.8946
532 1P3 0.8945
533 DEN 0.8945
534 5MI 0.8943
535 HDH 0.8943
536 BRT 0.8942
537 1DH 0.8942
538 FUL 0.8942
539 DYT 0.8941
540 4SV 0.8939
541 IDH 0.8938
542 1DJ 0.8938
543 K6H 0.8937
544 LXC 0.8937
545 6M4 0.8932
546 RSF 0.8932
547 IND 0.8932
548 LZ1 0.8929
549 ARB 0.8927
550 XYP 0.8926
551 H8N 0.8925
552 JFJ 0.8923
553 O7U 0.8923
554 717 0.8921
555 3GR 0.8921
556 KOJ 0.8920
557 FCR 0.8919
558 N4B 0.8919
559 SAL 0.8919
560 5MB 0.8918
561 4HO 0.8918
562 51F 0.8916
563 7MU 0.8916
564 174 0.8916
565 BAE 0.8915
566 0MK 0.8914
567 GOL 0.8911
568 2EZ 0.8910
569 XYS 0.8910
570 24B 0.8909
571 4JP 0.8909
572 3U4 0.8909
573 HPV 0.8909
574 45L 0.8904
575 NMJ 0.8904
576 HPY 0.8904
577 069 0.8902
578 TH7 0.8901
579 MCT 0.8893
580 IP0 0.8892
581 GRO 0.8891
582 258 0.8890
583 BE2 0.8890
584 PMF 0.8889
585 S8V 0.8889
586 BNF 0.8888
587 TH0 0.8888
588 TDR 0.8887
589 0R1 0.8887
590 HHI 0.8887
591 RTK 0.8887
592 DHI 0.8887
593 2MI 0.8886
594 MDN 0.8885
595 SAN 0.8884
596 AX7 0.8883
597 HPS 0.8883
598 3PG 0.8883
599 3SK 0.8881
600 3QM 0.8880
601 DS0 0.8879
602 G2H 0.8878
603 RIP 0.8878
604 2TQ 0.8877
605 4JM 0.8877
606 AT3 0.8876
607 2CK 0.8875
608 IFM 0.8875
609 270 0.8872
610 GVH 0.8872
611 CRS 0.8870
612 4ZA 0.8868
613 PBE 0.8867
614 ZZT 0.8867
615 MPI 0.8866
616 OTR 0.8865
617 4WL 0.8864
618 PRA 0.8864
619 RUU 0.8863
620 HYN 0.8860
621 11S 0.8859
622 HGQ 0.8859
623 4JT 0.8857
624 NK 0.8857
625 8EZ 0.8856
626 SME 0.8856
627 OEM 0.8854
628 XBZ 0.8853
629 93B 0.8852
630 ALA ALA 0.8851
631 MWM 0.8849
632 PO6 0.8849
633 HGA 0.8846
634 GXV 0.8846
635 DHS 0.8845
636 FYU 0.8844
637 173 0.8843
638 ES6 0.8842
639 KVP 0.8841
640 TSU 0.8837
641 VX 0.8837
642 DMJ 0.8836
643 40O 0.8836
644 IFL 0.8835
645 B40 0.8835
646 3YP 0.8833
647 DFU 0.8832
648 MYQ 0.8832
649 4ZE 0.8829
650 NPY 0.8827
651 KTA 0.8826
652 8GL 0.8825
653 TMH 0.8823
654 JKE 0.8822
655 3ID 0.8820
656 DAL DAL 0.8818
657 ES9 0.8818
658 BBU 0.8817
659 284 0.8816
660 J0Z 0.8815
661 FK8 0.8815
662 TIH 0.8813
663 DHB 0.8813
664 275 0.8813
665 VNJ 0.8813
666 MNM 0.8812
667 7WV 0.8810
668 JB5 0.8809
669 7EX 0.8809
670 FBW 0.8806
671 MZG 0.8805
672 HT4 0.8805
673 1WD 0.8805
674 449 0.8805
675 FBS 0.8805
676 2YU 0.8804
677 L60 0.8804
678 FUC 0.8803
679 264 0.8803
680 OSE 0.8803
681 8OZ 0.8802
682 MLE 0.8802
683 Z6J 0.8802
684 03V 0.8801
685 4A3 0.8801
686 QMP 0.8801
687 26D 0.8800
688 2AC 0.8798
689 JZ3 0.8798
690 COU 0.8797
691 H4N 0.8796
692 0OC 0.8796
693 YRL 0.8795
694 CNL 0.8795
695 DIR 0.8794
696 SYC 0.8794
697 0R0 0.8793
698 2AQ 0.8792
699 NCT 0.8792
700 INO 0.8790
701 FK1 0.8790
702 OCH 0.8788
703 QUZ 0.8788
704 8H8 0.8788
705 RBJ 0.8786
706 GXE 0.8784
707 HMU 0.8784
708 4NC 0.8784
709 F05 0.8783
710 AAS 0.8782
711 RP7 0.8782
712 AZF 0.8781
713 TAY 0.8781
714 5JC 0.8780
715 FAC 0.8779
716 ICN 0.8778
717 2MP 0.8778
718 NNO 0.8777
719 TM7 0.8777
720 4J8 0.8776
721 XYD 0.8774
722 DMD 0.8771
723 ARA 0.8770
724 5UC 0.8769
725 OXZ 0.8768
726 MBN 0.8767
727 4FA 0.8767
728 34A 0.8766
729 QOS 0.8765
730 A1U 0.8765
731 AGK 0.8764
732 XIX 0.8764
733 9TW 0.8764
734 51R 0.8764
735 LYS 0.8764
736 ES5 0.8763
737 6M9 0.8762
738 ABE 0.8761
739 CRD 0.8760
740 K2T 0.8760
741 B85 0.8760
742 L3Q 0.8759
743 P9P 0.8758
744 TYL 0.8756
745 FHB 0.8755
746 NSP 0.8755
747 64K 0.8754
748 24T 0.8753
749 152 0.8751
750 9A7 0.8751
751 3AP 0.8749
752 TMZ 0.8749
753 ICP 0.8748
754 PYD 0.8748
755 93K 0.8746
756 P92 0.8745
757 5MH 0.8745
758 3HM 0.8743
759 HCI 0.8743
760 XX2 0.8742
761 DUC 0.8741
762 AHR 0.8739
763 MWJ 0.8737
764 4CL 0.8736
765 2AL 0.8733
766 4JJ 0.8733
767 278 0.8733
768 2PG 0.8733
769 AEF 0.8732
770 WOT 0.8730
771 4FS 0.8728
772 43M 0.8728
773 286 0.8727
774 MSE 0.8727
775 5XB 0.8727
776 2HO 0.8726
777 A09 0.8724
778 JZ1 0.8724
779 4AP 0.8724
780 NCM 0.8723
781 JLZ 0.8723
782 RUJ 0.8722
783 3AL 0.8722
784 4HP 0.8722
785 2AP 0.8720
786 GVG 0.8720
787 RCO 0.8720
788 SYG 0.8719
789 OHP 0.8716
790 MMU 0.8713
791 RIB 0.8711
792 QSB 0.8711
793 JZ2 0.8711
794 H42 0.8711
795 MYJ 0.8710
796 8NY 0.8710
797 5HY 0.8708
798 SOR 0.8707
799 HRZ 0.8705
800 ET2 0.8704
801 H3M 0.8702
802 3HP 0.8700
803 261 0.8700
804 FA0 0.8700
805 R9S 0.8697
806 3CL 0.8697
807 CHB 0.8696
808 IHB 0.8695
809 DOB 0.8691
810 9PO 0.8691
811 BR9 0.8688
812 13D 0.8688
813 27Y 0.8687
814 BHA 0.8686
815 HQJ 0.8685
816 IWT 0.8683
817 HVK 0.8682
818 5OB 0.8680
819 285 0.8680
820 RUY 0.8678
821 GIF 0.8675
822 DAL 0.8675
823 RHU 0.8675
824 HX3 0.8671
825 L5V 0.8670
826 3Q7 0.8668
827 TLD 0.8667
828 FUF 0.8667
829 4M0 0.8667
830 MAH 0.8664
831 3CH 0.8657
832 LG3 0.8656
833 5CU 0.8655
834 4XX 0.8654
835 CYT 0.8651
836 C2A 0.8651
837 IUR 0.8650
838 8CL 0.8646
839 YHO 0.8646
840 R8A 0.8637
841 BZ3 0.8636
842 D2P 0.8635
843 RAT 0.8631
844 6TZ 0.8629
845 4JO 0.8626
846 DGJ 0.8624
847 5XC 0.8621
848 FBV 0.8620
849 HC4 0.8619
850 Y8I 0.8619
851 4DX 0.8618
852 TMT 0.8615
853 KYD 0.8609
854 E5X 0.8604
855 FB1 0.8603
856 1P8 0.8603
857 LGA 0.8600
858 3HA 0.8599
859 1LN 0.8597
860 PHE 0.8591
861 DBH 0.8589
862 OXL 0.8584
863 TTO 0.8582
864 ANN 0.8582
865 PYR 0.8579
866 2LP 0.8576
867 HX4 0.8572
868 0TR 0.8568
869 L99 0.8561
870 9EW 0.8549
871 JZ4 0.8547
872 NOY 0.8541
873 36Y 0.8540
874 3PF 0.8539
875 ETF 0.8533
876 G4D 0.8507
Ligand no: 3; Ligand: ZZU; Similar ligands found: 303
No: Ligand Similarity coefficient
1 ARG 0.9621
2 MLY 0.9580
3 GGB 0.9495
4 2OR 0.9483
5 CIR 0.9478
6 DAR 0.9410
7 NPI 0.9381
8 EXY 0.9367
9 API 0.9363
10 MLZ 0.9354
11 M3L 0.9260
12 E8U 0.9230
13 5TO 0.9223
14 GVA 0.9201
15 ENW 0.9194
16 UN1 0.9181
17 1PS 0.9176
18 DHC 0.9146
19 DA3 0.9136
20 58X 0.9136
21 ENV 0.9130
22 DMA 0.9127
23 SZ7 0.9118
24 PML 0.9118
25 NMM 0.9106
26 26P 0.9103
27 6HN 0.9101
28 ILO 0.9094
29 9YT 0.9093
30 HAR 0.9085
31 DLT 0.9072
32 LVD 0.9069
33 6C5 0.9060
34 GRQ 0.9056
35 3H2 0.9054
36 0QA 0.9051
37 TEG 0.9049
38 O45 0.9048
39 LL2 0.9045
40 JX7 0.9041
41 6C4 0.9034
42 HC4 0.9024
43 3GZ 0.9015
44 WT2 0.9007
45 IAR 0.9001
46 PAU 0.8995
47 64Z 0.8994
48 GLY GLY GLY 0.8993
49 IVL 0.8990
50 CS2 0.8989
51 DHH 0.8986
52 FB6 0.8984
53 2NP 0.8980
54 P81 0.8977
55 8SZ 0.8976
56 LPA 0.8976
57 11C 0.8973
58 EGV 0.8972
59 OJD 0.8968
60 C82 0.8967
61 NFA 0.8965
62 DXP 0.8963
63 LYS 0.8962
64 ONH 0.8958
65 9J6 0.8957
66 NNH 0.8955
67 S0F 0.8953
68 HPP 0.8953
69 OOG 0.8951
70 HLP 0.8950
71 4JK 0.8945
72 9VQ 0.8944
73 PA5 0.8944
74 TYR 0.8940
75 L06 0.8940
76 Z70 0.8939
77 AHL 0.8936
78 HX8 0.8930
79 SB7 0.8929
80 IPE 0.8923
81 DED 0.8920
82 AHN 0.8918
83 XI7 0.8915
84 XOG 0.8913
85 5PV 0.8911
86 NOT 0.8910
87 LZ5 0.8907
88 11X 0.8900
89 DST 0.8899
90 SOJ 0.8898
91 4TB 0.8896
92 RGP 0.8896
93 VUR 0.8890
94 3KJ 0.8890
95 AHC 0.8890
96 ENO 0.8887
97 4FP 0.8885
98 6FG 0.8884
99 J9Y 0.8878
100 A5P 0.8876
101 OCA 0.8875
102 DA2 0.8874
103 0A9 0.8872
104 DEZ 0.8871
105 8GL 0.8869
106 2FM 0.8868
107 6C9 0.8859
108 PHE 0.8859
109 DER 0.8858
110 5LD 0.8856
111 Q06 0.8855
112 M1T 0.8846
113 LGT 0.8846
114 GLU 0.8843
115 LPB 0.8843
116 RP5 0.8837
117 LLH 0.8835
118 KYN 0.8835
119 SNR 0.8834
120 7UC 0.8831
121 6FR 0.8830
122 M3P 0.8830
123 3VR 0.8827
124 I2E 0.8824
125 KPC 0.8821
126 MJ5 0.8821
127 HIS 0.8821
128 6C8 0.8819
129 PBN 0.8816
130 MF3 0.8815
131 BL0 0.8810
132 GNW 0.8810
133 E4P 0.8809
134 5RP 0.8809
135 2O8 0.8808
136 DAH 0.8805
137 GLR 0.8804
138 7XA 0.8803
139 EFF 0.8801
140 4TP 0.8797
141 YIE 0.8797
142 PMV 0.8796
143 FPL 0.8795
144 ALE 0.8794
145 TYE 0.8792
146 G6Q 0.8792
147 TX4 0.8790
148 5UK 0.8788
149 T03 0.8787
150 LX1 0.8785
151 5KJ 0.8785
152 IPR 0.8783
153 ALY 0.8780
154 KNA 0.8780
155 DLY 0.8779
156 HCI 0.8779
157 R5P 0.8778
158 R52 0.8778
159 C53 0.8777
160 SX2 0.8776
161 SSC 0.8772
162 848 0.8770
163 HXY 0.8768
164 KPV 0.8767
165 HGA 0.8766
166 R10 0.8765
167 N9J 0.8764
168 DNN 0.8763
169 2JJ 0.8763
170 RP3 0.8762
171 NWH 0.8760
172 PRO GLY 0.8759
173 DTY 0.8759
174 4ZD 0.8754
175 TOH 0.8752
176 0L1 0.8752
177 A51 0.8752
178 DXG 0.8750
179 IOP 0.8750
180 HSX 0.8749
181 TZM 0.8746
182 AKG 0.8746
183 B3U 0.8745
184 BHU 0.8745
185 TZP 0.8742
186 LUQ 0.8738
187 TCA 0.8736
188 P93 0.8733
189 P3S 0.8730
190 E79 0.8729
191 HL4 0.8728
192 PO6 0.8728
193 F98 0.8727
194 XRX 0.8725
195 Q9Z 0.8725
196 CH8 0.8725
197 011 0.8724
198 CLT 0.8722
199 RES 0.8719
200 KDG 0.8717
201 B41 0.8714
202 HFA 0.8713
203 2J3 0.8712
204 NFZ 0.8710
205 HSA 0.8709
206 GAE 0.8709
207 F06 0.8707
208 JF5 0.8706
209 EIP 0.8702
210 GGG 0.8702
211 P7Y 0.8702
212 IJ6 0.8698
213 TMG 0.8696
214 MGB 0.8695
215 S0W 0.8693
216 6ZX 0.8692
217 LYN 0.8691
218 PFF 0.8691
219 3YP 0.8691
220 P4F 0.8691
221 HPO 0.8689
222 DPN 0.8689
223 PPY 0.8685
224 PBA 0.8685
225 Q04 0.8683
226 EQW 0.8681
227 DIR 0.8680
228 M6H 0.8678
229 P80 0.8678
230 5SP 0.8675
231 F63 0.8674
232 SOR 0.8674
233 CXP 0.8673
234 LTN 0.8670
235 F90 0.8668
236 QBM 0.8667
237 SPD 0.8667
238 TYC 0.8666
239 5OY 0.8664
240 K4V 0.8663
241 F6P 0.8663
242 363 0.8663
243 FOM 0.8661
244 0A1 0.8660
245 DX5 0.8656
246 PPN 0.8654
247 7OD 0.8651
248 M6P 0.8650
249 3PG 0.8649
250 36M 0.8648
251 3QO 0.8647
252 MD6 0.8643
253 PPT 0.8642
254 NMH 0.8640
255 1BN 0.8638
256 DZA 0.8636
257 9BF 0.8636
258 JZA 0.8635
259 BPW 0.8634
260 94X 0.8633
261 650 0.8633
262 JPQ 0.8633
263 SSB 0.8633
264 OHJ 0.8627
265 YOF 0.8627
266 K80 0.8627
267 5WZ 0.8626
268 DHM 0.8625
269 EQA 0.8625
270 QH3 0.8612
271 22F 0.8612
272 37E 0.8611
273 GZ2 0.8607
274 MJW 0.8607
275 TPM 0.8607
276 3IP 0.8601
277 5O6 0.8601
278 TB8 0.8597
279 REL 0.8594
280 EXG 0.8592
281 N8C 0.8588
282 D6P 0.8586
283 LXP 0.8585
284 IYR 0.8581
285 MMS 0.8580
286 6N4 0.8580
287 1OV 0.8578
288 HDL 0.8576
289 DKA 0.8575
290 3CX 0.8575
291 G88 0.8574
292 5DS 0.8571
293 HJ7 0.8569
294 GO8 0.8564
295 0F3 0.8553
296 3VQ 0.8553
297 IBP 0.8552
298 1YO 0.8546
299 3VW 0.8533
300 GO2 0.8532
301 STX 0.8530
302 TIH 0.8528
303 HBU 0.8504
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WBQ; Ligand: ZZU; Similar sites found with APoc: 15
This union binding pocket(no: 1) in the query (biounit: 2wbq.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX4 AKG 5.66802
2 1NX4 AKG 5.66802
3 1NX4 AKG 5.66802
4 4OJ8 AKG 5.92885
5 6F6J CUW 37.1508
6 6F6J SIN 37.1508
7 6F6J CUW 37.1508
8 6F6J SIN 37.1508
9 6F6J SIN 37.1508
10 6F6J CUW 37.1508
11 6F6J SIN 37.1508
12 6EXF LYS 38.2682
13 1DRY AAG 39.6648
14 1DRY AKG 39.6648
15 2OG7 SIN 40.056
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