Receptor
PDB id Resolution Class Description Source Keywords
5UCP 1.44 Å EC: 4.1.2.13 CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE E142A VARIANT OF HELICOBACTER PYLORI WITH FBP AND CLEAVAGE PRODUCTS HELICOBACTER PYLORI (STRAIN ATCC 7003926695) GLYCOLYSIS METALLOENZYME LYASE
Ref.: ACTIVE SITE REMODELING DURING THE CATALYTIC CYCLE I METAL-DEPENDENT FRUCTOSE-1,6-BISPHOSPHATE ALDOLASES J. BIOL. CHEM. V. 293 7737 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:404;
B:402;
A:403;
A:402;
A:404;
B:403;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
NA A:401;
B:401;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
G3H B:406;
 Valid;
 Atoms found MORE than expected: % Diff = 2;
 submit data
170.058 C3 H7 O6 P C([C@...
13P B:405;
 Valid;
 none;
 submit data
170.058 C3 H7 O6 P C(C(=...
P6F A:405;
 Valid;
 none;
 submit data
340.116 C6 H14 O12 P2 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3C56 2.3 Å EC: 4.1.2.13 CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE FROM HELICOBACTE IN COMPLEX WITH N-(3-HYDROXYPROPYL)-GLYCOLOHYDROXAMIC ACID B ISPHOSPHATE, A COMPETITIVE INHIBITOR HELICOBACTER PYLORI CLASS II FBP ALDOLASE GLYCOLYSIS INHIBITOR LYASE METALZINC
Ref.: SYNTHESIS AND BIOCHEMICAL EVALUATION OF SELECTIVE I OF CLASS II FRUCTOSE BISPHOSPHATE ALDOLASES: TOWARD SYNTHETIC ANTIBIOTICS. CHEMISTRY V. 14 8521 2008
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5UD0 - G3H C3 H7 O6 P C([C@H](C=....
2 3C52 - PGH C2 H6 N O6 P C(C(=O)NO)....
3 5UCK - 13P C3 H7 O6 P C(C(=O)COP....
4 5UCN - 13P C3 H7 O6 P C(C(=O)COP....
5 3N9R Ki = 5.5 uM TD3 C6 H14 N O7 P C(CCO)CN(C....
6 5VJF - 13P C3 H7 O6 P C(C(=O)COP....
7 3N9S Ki = 0.07 uM TD4 C6 H15 N O10 P2 C(CCOP(=O)....
8 5UD2 - 13P C3 H7 O6 P C(C(=O)COP....
9 5UD4 - P6T C6 H14 O12 P2 C([C@H]([C....
10 5UCP - G3H C3 H7 O6 P C([C@H](C=....
11 5UD3 - P6F C6 H14 O12 P2 C([C@H]([C....
12 3C56 Ki = 0.013 uM PH4 C5 H13 N O10 P2 C(CN(C(=O)....
13 5UCZ - 13P C3 H7 O6 P C(C(=O)COP....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 5UD0 - G3H C3 H7 O6 P C([C@H](C=....
2 3C52 - PGH C2 H6 N O6 P C(C(=O)NO)....
3 5UCK - 13P C3 H7 O6 P C(C(=O)COP....
4 5UCN - 13P C3 H7 O6 P C(C(=O)COP....
5 3N9R Ki = 5.5 uM TD3 C6 H14 N O7 P C(CCO)CN(C....
6 5VJF - 13P C3 H7 O6 P C(C(=O)COP....
7 3N9S Ki = 0.07 uM TD4 C6 H15 N O10 P2 C(CCOP(=O)....
8 5UD2 - 13P C3 H7 O6 P C(C(=O)COP....
9 5UD4 - P6T C6 H14 O12 P2 C([C@H]([C....
10 5UCP - G3H C3 H7 O6 P C([C@H](C=....
11 5UD3 - P6F C6 H14 O12 P2 C([C@H]([C....
12 3C56 Ki = 0.013 uM PH4 C5 H13 N O10 P2 C(CN(C(=O)....
13 5UCZ - 13P C3 H7 O6 P C(C(=O)COP....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4TO8 ic50 = 56.9 mM FLC C6 H5 O7 C(C(=O)[O-....
2 5UD0 - G3H C3 H7 O6 P C([C@H](C=....
3 3C52 - PGH C2 H6 N O6 P C(C(=O)NO)....
4 5UCK - 13P C3 H7 O6 P C(C(=O)COP....
5 5UCN - 13P C3 H7 O6 P C(C(=O)COP....
6 3N9R Ki = 5.5 uM TD3 C6 H14 N O7 P C(CCO)CN(C....
7 5VJF - 13P C3 H7 O6 P C(C(=O)COP....
8 3N9S Ki = 0.07 uM TD4 C6 H15 N O10 P2 C(CCOP(=O)....
9 5UD2 - 13P C3 H7 O6 P C(C(=O)COP....
10 5UD4 - P6T C6 H14 O12 P2 C([C@H]([C....
11 5UCP - G3H C3 H7 O6 P C([C@H](C=....
12 5UD3 - P6F C6 H14 O12 P2 C([C@H]([C....
13 3C56 Ki = 0.013 uM PH4 C5 H13 N O10 P2 C(CN(C(=O)....
14 5UCZ - 13P C3 H7 O6 P C(C(=O)COP....
15 2ISW Ki = 37 nM PGH C2 H6 N O6 P C(C(=O)NO)....
16 3GAY Kd = 20 nM P6T C6 H14 O12 P2 C([C@H]([C....
17 3OHI Ki = 14 uM HDX C8 H13 N O9 P2 C1=CN(C(=O....
18 3GB6 - P6F C6 H14 O12 P2 C([C@H]([C....
19 2ISV Ki = 37 nM PGH C2 H6 N O6 P C(C(=O)NO)....
20 1GVF - PGH C2 H6 N O6 P C(C(=O)NO)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G3H; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 G3H 1 1
2 E4P 0.515152 0.967742
3 R52 0.459459 0.909091
4 R5P 0.459459 0.909091
5 HG3 0.451613 0.875
6 G3P 0.4375 0.848485
7 1GP 0.4375 0.848485
8 G6Q 0.435897 0.909091
9 M2P 0.424242 0.852941
10 GOS 0.424242 0.852941
11 PSE 0.411765 0.625
12 3PG 0.411765 0.9375
Ligand no: 2; Ligand: 13P; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 13P 1 1
2 PGA 0.5 0.818182
3 HPV 0.4375 0.90625
4 PGH 0.424242 0.622222
5 IBS 0.404255 0.815789
Ligand no: 3; Ligand: P6F; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 P6F 1 1
2 P6T 1 1
3 2FP 1 1
4 TG6 0.7 0.971429
5 F6R 0.7 0.971429
6 XBP 0.634146 0.942857
7 RUB 0.634146 0.942857
8 R10 0.609756 0.942857
9 PA5 0.609756 0.942857
10 I22 0.555556 0.971429
11 PAN 0.555556 0.702128
12 9C2 0.543478 0.6875
13 M2P 0.526316 0.970588
14 GOS 0.526316 0.970588
15 LG6 0.511111 0.942857
16 6PG 0.511111 0.942857
17 HMS 0.5 0.944444
18 5SP 0.5 0.944444
19 5RP 0.5 0.944444
20 O1B 0.480769 0.68
21 KD0 0.479167 0.942857
22 LXP 0.47619 0.888889
23 A5P 0.47619 0.888889
24 LX1 0.47619 0.861111
25 DX5 0.47619 0.888889
26 DER 0.465116 0.942857
27 DEZ 0.465116 0.942857
28 S6P 0.465116 0.914286
29 MRU 0.458333 0.825
30 DXP 0.454545 0.861111
31 TX4 0.444444 0.659574
32 DG6 0.444444 0.864865
33 R52 0.444444 0.970588
34 R5P 0.444444 0.970588
35 HG3 0.435897 0.828571
36 52L 0.431373 0.717391
37 RES 0.425532 0.702128
38 AGP 0.425532 0.744186
39 M6R 0.425532 0.744186
40 G6Q 0.425532 0.970588
41 1NT 0.418182 0.942857
42 4TP 0.413043 0.785714
43 FQ8 0.408163 0.916667
44 LRY 0.407407 0.75
45 H4P 0.403846 0.767442
Similar Ligands (3D)
Ligand no: 1; Ligand: G3H; Similar ligands found: 664
No: Ligand Similarity coefficient
1 13P 1.0000
2 PGH 0.9948
3 GP9 0.9895
4 LTL 0.9862
5 129 0.9790
6 CYX 0.9713
7 PGA 0.9666
8 X1S 0.9663
9 CCE 0.9602
10 ACH 0.9591
11 SEP 0.9587
12 1SH 0.9549
13 LLQ 0.9523
14 1SA 0.9523
15 HPV 0.9517
16 4LR 0.9516
17 CHH 0.9503
18 3PP 0.9495
19 GPJ 0.9481
20 GLU 0.9470
21 CCD 0.9468
22 PMB 0.9466
23 OSE 0.9450
24 9GB 0.9450
25 PEP 0.9443
26 NM3 0.9438
27 PAH 0.9433
28 FB2 0.9426
29 GPF 0.9421
30 AT3 0.9408
31 SPV 0.9408
32 G2H 0.9397
33 KVV 0.9387
34 QMP 0.9386
35 GLY GLY 0.9379
36 3S5 0.9361
37 PIS 0.9348
38 8K2 0.9338
39 PMF 0.9333
40 IP8 0.9332
41 NF3 0.9329
42 7OD 0.9324
43 DIR 0.9308
44 OKG 0.9302
45 PPR 0.9298
46 AKG 0.9292
47 FUM 0.9292
48 B85 0.9287
49 DS0 0.9281
50 SYC 0.9278
51 GZ3 0.9277
52 XCZ 0.9270
53 3SL 0.9269
54 MEQ 0.9269
55 PEQ 0.9264
56 0V5 0.9263
57 9J3 0.9261
58 OGA 0.9261
59 152 0.9260
60 FBW 0.9259
61 GWM 0.9255
62 HBU 0.9252
63 FB1 0.9251
64 1X4 0.9250
65 SS2 0.9248
66 7VD 0.9246
67 6PC 0.9246
68 RTK 0.9243
69 SIN 0.9243
70 GVM 0.9242
71 2PG 0.9241
72 FBV 0.9241
73 HMS 0.9240
74 LMR 0.9239
75 3OC 0.9239
76 FOM 0.9236
77 DQY 0.9232
78 7BC 0.9228
79 0VT 0.9228
80 GLN 0.9213
81 BHH 0.9211
82 RB5 0.9209
83 RB0 0.9209
84 XYL 0.9209
85 DGL 0.9208
86 MJ2 0.9206
87 SRT 0.9205
88 MDN 0.9204
89 OPE 0.9202
90 PLU 0.9197
91 ZGL 0.9196
92 URP 0.9196
93 FCR 0.9193
94 MSL 0.9191
95 PC 0.9191
96 PPV 0.9190
97 LUQ 0.9189
98 BAM 0.9189
99 TLA 0.9187
100 FSG 0.9186
101 HPS 0.9185
102 2HG 0.9184
103 DHM 0.9183
104 1DQ 0.9182
105 XUL 0.9178
106 CP 0.9178
107 51R 0.9177
108 BEZ 0.9176
109 TSU 0.9174
110 KMH 0.9173
111 3OM 0.9171
112 S2G 0.9168
113 KVP 0.9167
114 PAE 0.9165
115 4MV 0.9164
116 EOU 0.9162
117 DGN 0.9162
118 HSO 0.9158
119 N6C 0.9157
120 XM0 0.9156
121 NCA 0.9156
122 CRN 0.9153
123 OEG 0.9150
124 BEN 0.9150
125 MES 0.9148
126 DE5 0.9142
127 NIO 0.9142
128 2IT 0.9141
129 GGL 0.9141
130 7N0 0.9141
131 SHV 0.9140
132 QDK 0.9140
133 ROR 0.9138
134 MUC 0.9136
135 3YP 0.9136
136 SHF 0.9136
137 H95 0.9135
138 OAA 0.9135
139 BNS 0.9135
140 MPD 0.9133
141 Q07 0.9133
142 1DV 0.9132
143 HPN 0.9130
144 AL0 0.9129
145 MHN 0.9127
146 A20 0.9123
147 MAE 0.9122
148 2PN 0.9119
149 HX2 0.9118
150 HL5 0.9113
151 XLS 0.9112
152 R9M 0.9107
153 FOC 0.9106
154 FBS 0.9106
155 A09 0.9106
156 PZI 0.9102
157 5XA 0.9102
158 URO 0.9100
159 URQ 0.9099
160 4J8 0.9099
161 ICF 0.9097
162 RNS 0.9092
163 BZX 0.9091
164 POP 0.9091
165 SPA 0.9088
166 SD4 0.9085
167 GUA 0.9085
168 SAN 0.9084
169 AAS 0.9083
170 MLT 0.9080
171 AG2 0.9078
172 CFI 0.9077
173 RHU 0.9076
174 3OL 0.9074
175 9X6 0.9073
176 GAB 0.9073
177 S0H 0.9072
178 RNT 0.9071
179 RBL 0.9068
180 3HB 0.9068
181 NLP 0.9065
182 LEU 0.9065
183 PBC 0.9065
184 AMS 0.9062
185 K6H 0.9061
186 OK7 0.9060
187 RUJ 0.9060
188 PCT 0.9059
189 HCI 0.9058
190 DYT 0.9055
191 Q03 0.9053
192 R67 0.9052
193 HGA 0.9051
194 P22 0.9047
195 ASP 0.9046
196 FQI 0.9045
197 O45 0.9044
198 98J 0.9044
199 449 0.9042
200 6NA 0.9041
201 AOS 0.9041
202 TB6 0.9041
203 ACA 0.9040
204 SS1 0.9039
205 COI 0.9038
206 J9N 0.9036
207 HIS 0.9036
208 3LR 0.9036
209 DLY 0.9035
210 NSB 0.9035
211 3FH 0.9034
212 YCP 0.9028
213 XIZ 0.9026
214 IXW 0.9026
215 3QM 0.9025
216 KPC 0.9024
217 HDA 0.9023
218 BHO 0.9023
219 HYA 0.9023
220 PAC 0.9022
221 OVV 0.9021
222 11C 0.9020
223 SMN 0.9019
224 TIH 0.9019
225 9ON 0.9019
226 LYS 0.9018
227 NM2 0.9018
228 IFP 0.9018
229 SYM 0.9016
230 3HG 0.9015
231 A13 0.9013
232 LYN 0.9012
233 S8V 0.9011
234 B3U 0.9011
235 3NT 0.9009
236 MXN 0.9009
237 QY9 0.9009
238 GLO 0.9006
239 M4S 0.9003
240 PG0 0.9001
241 HTX 0.8999
242 0L1 0.8999
243 2FT 0.8998
244 GJZ 0.8998
245 MHO 0.8995
246 ONL 0.8994
247 MZT 0.8994
248 TPO 0.8994
249 K5W 0.8993
250 R2P 0.8993
251 RSO 0.8992
252 HHI 0.8988
253 FYU 0.8988
254 7WG 0.8986
255 AC6 0.8985
256 IZC 0.8983
257 7A8 0.8983
258 173 0.8983
259 EDR 0.8982
260 3HP 0.8980
261 LNO 0.8979
262 EHM 0.8979
263 EKZ 0.8977
264 40E 0.8976
265 THE 0.8976
266 HIO 0.8975
267 0OC 0.8974
268 NMJ 0.8974
269 K7M 0.8972
270 SHO 0.8972
271 TEO 0.8971
272 NPO 0.8971
273 FCN 0.8970
274 3AB 0.8970
275 FBJ 0.8970
276 GLY ALA 0.8969
277 2RH 0.8967
278 GG6 0.8964
279 MNN 0.8963
280 TAR 0.8963
281 HBA 0.8962
282 ISZ 0.8961
283 K6V 0.8958
284 SME 0.8958
285 54D 0.8956
286 CCU 0.8956
287 NMG 0.8956
288 6JN 0.8955
289 9RW 0.8955
290 QSC 0.8955
291 DPN 0.8954
292 SOR 0.8953
293 VKC 0.8953
294 MPH 0.8953
295 PRO 0.8953
296 KDG 0.8952
297 Q9Z 0.8952
298 ASN 0.8951
299 DAV 0.8950
300 DYA 0.8947
301 IOM 0.8946
302 6M4 0.8945
303 4NG 0.8945
304 AMH 0.8945
305 DAR 0.8945
306 HF2 0.8944
307 XRG 0.8944
308 5XB 0.8941
309 RAT 0.8938
310 UN1 0.8938
311 RMN 0.8936
312 PCA 0.8936
313 TZL 0.8935
314 DZA 0.8933
315 7C3 0.8932
316 717 0.8930
317 RJY 0.8930
318 PHB 0.8927
319 NLE 0.8927
320 M45 0.8925
321 DMV 0.8924
322 8GL 0.8924
323 PG3 0.8921
324 JYD 0.8921
325 TYL 0.8921
326 DAS 0.8920
327 X0V 0.8919
328 AFS 0.8918
329 ALA ALA 0.8918
330 HIC 0.8917
331 2CO 0.8916
332 LPK 0.8915
333 PO6 0.8915
334 DHI 0.8915
335 HHH 0.8914
336 DHR 0.8914
337 4CS 0.8913
338 CXF 0.8911
339 PSJ 0.8911
340 650 0.8906
341 53C 0.8905
342 PHU 0.8904
343 3BZ 0.8903
344 TIU 0.8902
345 1DJ 0.8901
346 MTL 0.8900
347 CMS 0.8900
348 TPA 0.8899
349 J9T 0.8899
350 5OY 0.8897
351 KTA 0.8896
352 5OB 0.8896
353 XSP 0.8894
354 ASO 0.8893
355 DAL DAL 0.8891
356 3BU 0.8888
357 SOL 0.8888
358 PHE 0.8887
359 TAG 0.8887
360 I38 0.8887
361 49F 0.8887
362 16D 0.8886
363 AHB 0.8886
364 HFA 0.8883
365 Q02 0.8881
366 2AS 0.8880
367 DA4 0.8880
368 UYA 0.8880
369 FK8 0.8879
370 ES2 0.8877
371 FEH 0.8876
372 BZ3 0.8876
373 4SX 0.8875
374 GOJ 0.8875
375 NSD 0.8873
376 2BG 0.8872
377 B40 0.8871
378 FBM 0.8870
379 FBU 0.8870
380 URS 0.8867
381 I4B 0.8867
382 PAB 0.8864
383 ORO 0.8863
384 LX1 0.8861
385 M4T 0.8860
386 NIZ 0.8859
387 GLY CYS 0.8858
388 PKU 0.8856
389 4HP 0.8854
390 ILE 0.8854
391 NFA 0.8852
392 PBA 0.8852
393 F9P 0.8852
394 PEA 0.8852
395 ITN 0.8851
396 HY1 0.8849
397 SVD 0.8849
398 ZBT 0.8849
399 DHB 0.8846
400 MET 0.8845
401 EYK 0.8844
402 K34 0.8843
403 1P3 0.8843
404 5XC 0.8843
405 HZP 0.8840
406 4WL 0.8839
407 I1E 0.8838
408 4JC 0.8838
409 8EW 0.8838
410 XBT 0.8837
411 KBZ 0.8837
412 ORN 0.8835
413 BP9 0.8833
414 FAN 0.8830
415 MED 0.8829
416 IHG 0.8829
417 M6W 0.8826
418 FUD 0.8826
419 OOG 0.8824
420 LFC 0.8824
421 2AL 0.8824
422 CXP 0.8823
423 UGC 0.8823
424 SHI 0.8822
425 PAF 0.8821
426 23J 0.8820
427 OCT 0.8819
428 PNZ 0.8819
429 IPB 0.8818
430 8OZ 0.8818
431 PJL 0.8818
432 OTR 0.8817
433 DBX 0.8817
434 MSR 0.8816
435 XIY 0.8813
436 KOJ 0.8812
437 2EH 0.8809
438 DCL 0.8809
439 PZM 0.8808
440 S2P 0.8808
441 88L 0.8807
442 ARG 0.8807
443 KBB 0.8806
444 Z82 0.8806
445 4FH 0.8806
446 PBZ 0.8805
447 4NC 0.8805
448 9YT 0.8804
449 1P8 0.8804
450 DXP 0.8803
451 2JJ 0.8803
452 HBD 0.8802
453 14J 0.8800
454 069 0.8798
455 INO 0.8796
456 ANN 0.8793
457 HQJ 0.8793
458 A3M 0.8792
459 AC0 0.8790
460 H42 0.8790
461 MWP 0.8788
462 6TZ 0.8787
463 ET2 0.8786
464 PEL 0.8783
465 PPY 0.8782
466 HDH 0.8782
467 HYP 0.8782
468 HCS 0.8781
469 PIM 0.8779
470 F60 0.8778
471 4MA 0.8772
472 7UC 0.8769
473 36E 0.8769
474 4LV 0.8767
475 GRO 0.8767
476 DER 0.8766
477 R20 0.8766
478 271 0.8765
479 4P5 0.8765
480 UY7 0.8765
481 1M2 0.8764
482 3AL 0.8763
483 TCA 0.8763
484 FA0 0.8763
485 YRL 0.8761
486 23W 0.8760
487 MR1 0.8760
488 4FA 0.8760
489 5MI 0.8758
490 1Y6 0.8758
491 IVL 0.8757
492 N4B 0.8757
493 268 0.8757
494 BHU 0.8757
495 BPN 0.8756
496 FK1 0.8755
497 AEG 0.8753
498 93K 0.8752
499 11S 0.8750
500 DEZ 0.8750
501 MAH 0.8750
502 MEV 0.8749
503 ABV 0.8747
504 GYE 0.8747
505 2K4 0.8745
506 4ZA 0.8744
507 NXA 0.8744
508 4VP 0.8742
509 H4N 0.8741
510 FA1 0.8740
511 5CU 0.8740
512 S7A 0.8738
513 L5V 0.8738
514 1DU 0.8738
515 C5A 0.8737
516 AEF 0.8737
517 6AI 0.8736
518 TYE 0.8736
519 ILO 0.8736
520 P9P 0.8735
521 6NI 0.8735
522 BHL 0.8733
523 PRA 0.8733
524 P72 0.8733
525 826 0.8732
526 QSB 0.8729
527 MYJ 0.8728
528 IT2 0.8725
529 ABU 0.8725
530 SNE 0.8725
531 WCE 0.8725
532 174 0.8723
533 IWT 0.8723
534 5H1 0.8722
535 NCT 0.8719
536 263 0.8719
537 2HO 0.8718
538 DHS 0.8717
539 14O 0.8716
540 NYL 0.8715
541 JAE 0.8715
542 UA5 0.8711
543 5MB 0.8709
544 DDK 0.8709
545 ES9 0.8706
546 9SE 0.8704
547 9TW 0.8703
548 AX7 0.8702
549 IHB 0.8700
550 X1R 0.8699
551 OHP 0.8697
552 DOB 0.8695
553 HSM 0.8693
554 4M0 0.8692
555 8SZ 0.8691
556 EVF 0.8690
557 HSE 0.8689
558 CHB 0.8687
559 JZ5 0.8687
560 4JT 0.8687
561 4NM 0.8687
562 BNF 0.8686
563 MRZ 0.8685
564 MAJ 0.8685
565 4XR 0.8685
566 F4E 0.8685
567 KMT 0.8684
568 ASC 0.8680
569 QUS 0.8679
570 3V4 0.8679
571 BHA 0.8679
572 CN0 0.8675
573 HX4 0.8675
574 ENV 0.8675
575 GGB 0.8675
576 PIY 0.8670
577 A8C 0.8670
578 COU 0.8668
579 HL4 0.8667
580 4FS 0.8666
581 5HN 0.8666
582 9RH 0.8666
583 OVM 0.8665
584 LNR 0.8664
585 7VP 0.8662
586 5GU 0.8661
587 SYV 0.8660
588 270 0.8658
589 LEA 0.8657
590 7MU 0.8657
591 6OT 0.8656
592 1L5 0.8656
593 Z13 0.8651
594 MPV 0.8651
595 AHN 0.8651
596 LY0 0.8650
597 BNL 0.8645
598 264 0.8643
599 92K 0.8643
600 4JM 0.8641
601 1CO 0.8640
602 4SD 0.8639
603 SSN 0.8639
604 2F6 0.8637
605 M3H 0.8635
606 BCU 0.8632
607 OW4 0.8631
608 PPT 0.8630
609 BTM 0.8629
610 2BX 0.8627
611 SW7 0.8625
612 5NI 0.8623
613 XXG 0.8622
614 XX2 0.8620
615 F31 0.8620
616 FBA 0.8618
617 ODV 0.8618
618 TZF 0.8617
619 BRT 0.8615
620 HPP 0.8614
621 E5X 0.8612
622 9X7 0.8610
623 MRY 0.8607
624 41K 0.8607
625 SNU 0.8605
626 N9J 0.8602
627 R9S 0.8601
628 JZ7 0.8600
629 ICB 0.8600
630 CTL 0.8596
631 4A3 0.8596
632 VNL 0.8595
633 OMD 0.8595
634 FHB 0.8595
635 L14 0.8594
636 LER 0.8592
637 DDW 0.8590
638 CPZ 0.8590
639 911 0.8589
640 1DW 0.8589
641 PH3 0.8587
642 36Y 0.8584
643 2D8 0.8583
644 A29 0.8583
645 CIR 0.8576
646 BUB 0.8574
647 MSE 0.8572
648 AOT 0.8570
649 4NZ 0.8568
650 J9Q 0.8567
651 3PO 0.8563
652 RBJ 0.8562
653 8WO 0.8562
654 GVG 0.8561
655 C1M 0.8559
656 6NT 0.8555
657 52C 0.8554
658 2ZM 0.8545
659 S7J 0.8538
660 3HM 0.8535
661 9YL 0.8531
662 NNO 0.8530
663 HC4 0.8527
664 JAW 0.8513
Ligand no: 2; Ligand: 13P; Similar ligands found: 891
No: Ligand Similarity coefficient
1 G3H 1.0000
2 1GP 1.0000
3 G3P 1.0000
4 GP9 0.9939
5 PSE 0.9932
6 SEP 0.9910
7 129 0.9898
8 LTL 0.9880
9 CYX 0.9819
10 1SH 0.9751
11 3PG 0.9735
12 4LR 0.9714
13 OSE 0.9683
14 PAH 0.9674
15 HG3 0.9666
16 X1S 0.9632
17 ACH 0.9598
18 FBW 0.9598
19 3S5 0.9595
20 IP8 0.9594
21 CCE 0.9580
22 CCD 0.9572
23 CHH 0.9564
24 PEP 0.9550
25 1SA 0.9530
26 GPJ 0.9529
27 MSL 0.9525
28 NM3 0.9525
29 GPF 0.9500
30 GLU 0.9494
31 GLY GLY 0.9488
32 AT3 0.9486
33 OKG 0.9483
34 3PP 0.9475
35 XCZ 0.9471
36 8K2 0.9460
37 G2H 0.9448
38 SPV 0.9419
39 9GB 0.9414
40 PPR 0.9410
41 51R 0.9408
42 LUQ 0.9406
43 GZ3 0.9399
44 MEQ 0.9394
45 7BC 0.9393
46 FOM 0.9382
47 FB2 0.9381
48 E4P 0.9374
49 RTK 0.9367
50 GVM 0.9364
51 PMB 0.9360
52 TSU 0.9359
53 HMS 0.9358
54 AKG 0.9358
55 9X6 0.9351
56 QMP 0.9345
57 7OD 0.9339
58 IXW 0.9339
59 LLQ 0.9337
60 4J8 0.9331
61 HBU 0.9330
62 152 0.9327
63 3SL 0.9320
64 PEQ 0.9318
65 SIN 0.9313
66 GLN 0.9312
67 EKZ 0.9311
68 EOU 0.9309
69 FBS 0.9299
70 AMS 0.9295
71 5FX 0.9294
72 DE5 0.9294
73 LNO 0.9292
74 PMF 0.9287
75 KVV 0.9273
76 MUC 0.9272
77 SAN 0.9271
78 DHM 0.9268
79 0V5 0.9260
80 DIR 0.9258
81 HHI 0.9256
82 HIS 0.9256
83 R67 0.9252
84 OEG 0.9252
85 NF3 0.9250
86 HL5 0.9248
87 COI 0.9246
88 1X4 0.9246
89 EDR 0.9244
90 ITN 0.9243
91 HGA 0.9242
92 KMH 0.9242
93 DS0 0.9241
94 MHN 0.9241
95 OGA 0.9240
96 TPO 0.9239
97 2PG 0.9235
98 9ON 0.9230
99 AAS 0.9230
100 9J3 0.9229
101 2HG 0.9228
102 AL0 0.9222
103 HPN 0.9222
104 FUM 0.9222
105 DGL 0.9221
106 A20 0.9221
107 P22 0.9220
108 5XA 0.9219
109 4SX 0.9216
110 EHM 0.9214
111 3LR 0.9213
112 S2G 0.9213
113 PC 0.9210
114 7VD 0.9207
115 H95 0.9206
116 MAE 0.9204
117 URQ 0.9203
118 HX2 0.9203
119 449 0.9198
120 OPE 0.9198
121 HPS 0.9198
122 DAV 0.9196
123 MES 0.9196
124 98J 0.9195
125 URO 0.9195
126 OAA 0.9194
127 ROR 0.9194
128 3YP 0.9193
129 SPA 0.9191
130 2IT 0.9190
131 TIH 0.9190
132 HBA 0.9190
133 PG3 0.9188
134 BHH 0.9187
135 RBL 0.9187
136 URP 0.9185
137 XYL 0.9184
138 RB0 0.9184
139 RB5 0.9184
140 4MV 0.9182
141 1DV 0.9182
142 SHO 0.9182
143 NLP 0.9181
144 UN1 0.9181
145 XLS 0.9181
146 FSG 0.9181
147 N6C 0.9179
148 LMR 0.9176
149 GGL 0.9176
150 DLY 0.9173
151 FOC 0.9172
152 LYS 0.9172
153 M4S 0.9171
154 HSO 0.9170
155 Q9Z 0.9169
156 X0V 0.9169
157 HTX 0.9167
158 ONL 0.9165
159 40E 0.9165
160 6NA 0.9165
161 RUJ 0.9164
162 LYN 0.9162
163 NPO 0.9161
164 PZM 0.9155
165 SME 0.9154
166 FLA 0.9152
167 RNS 0.9151
168 PLU 0.9150
169 MLT 0.9148
170 FCR 0.9146
171 9YL 0.9145
172 DYT 0.9141
173 GWM 0.9140
174 GUA 0.9139
175 4JC 0.9136
176 0VT 0.9134
177 SYC 0.9132
178 1DQ 0.9132
179 KPC 0.9130
180 PCA 0.9128
181 3OL 0.9128
182 DGN 0.9128
183 RNT 0.9128
184 2CO 0.9127
185 ZGL 0.9124
186 6JN 0.9123
187 KVP 0.9123
188 PAC 0.9122
189 NM2 0.9120
190 QDK 0.9119
191 2RH 0.9118
192 B85 0.9118
193 SRT 0.9118
194 PHE 0.9116
195 3OM 0.9115
196 PAF 0.9114
197 NFA 0.9114
198 ACA 0.9113
199 2PN 0.9113
200 SHF 0.9112
201 SYM 0.9110
202 0L1 0.9110
203 GAB 0.9110
204 TEO 0.9109
205 ASN 0.9109
206 F98 0.9106
207 PPV 0.9105
208 ICF 0.9102
209 PIS 0.9102
210 DBX 0.9099
211 PZI 0.9099
212 MTL 0.9099
213 3HB 0.9098
214 4FH 0.9097
215 EYK 0.9096
216 3AB 0.9093
217 DQY 0.9093
218 IHG 0.9091
219 OK7 0.9091
220 11C 0.9090
221 Q07 0.9088
222 O45 0.9088
223 S8V 0.9087
224 SD4 0.9087
225 TLA 0.9086
226 KBB 0.9085
227 SOR 0.9083
228 DMV 0.9081
229 IOM 0.9081
230 CRN 0.9081
231 HFA 0.9080
232 MHO 0.9078
233 BEZ 0.9076
234 7C3 0.9075
235 SVD 0.9075
236 KBZ 0.9073
237 FBV 0.9073
238 XUL 0.9073
239 AC6 0.9072
240 DHI 0.9072
241 SHV 0.9070
242 3NT 0.9070
243 HDA 0.9069
244 PG0 0.9069
245 PSJ 0.9068
246 R9M 0.9065
247 J9T 0.9065
248 HYA 0.9063
249 AG2 0.9063
250 MJ2 0.9062
251 DAS 0.9062
252 PHB 0.9061
253 7N0 0.9058
254 MDN 0.9057
255 FK8 0.9055
256 1HS 0.9055
257 FBJ 0.9055
258 MPH 0.9055
259 IFP 0.9054
260 VKC 0.9053
261 J0Z 0.9053
262 FQI 0.9051
263 DZA 0.9050
264 S0H 0.9050
265 TB6 0.9047
266 0OC 0.9046
267 K6V 0.9046
268 XSP 0.9046
269 4FA 0.9046
270 XBT 0.9044
271 PBC 0.9044
272 HIC 0.9041
273 TAR 0.9041
274 THE 0.9041
275 BNS 0.9040
276 URS 0.9040
277 ASP 0.9040
278 1DJ 0.9039
279 BEN 0.9038
280 I38 0.9037
281 3OC 0.9036
282 ONH 0.9035
283 OTR 0.9034
284 A09 0.9034
285 GLL 0.9032
286 J9N 0.9031
287 MZT 0.9030
288 FCN 0.9030
289 K6H 0.9029
290 KDG 0.9029
291 2AS 0.9029
292 I2M 0.9029
293 C2B 0.9028
294 MEV 0.9027
295 PAB 0.9027
296 HIO 0.9026
297 QY9 0.9026
298 AHB 0.9023
299 SDD 0.9023
300 UGC 0.9023
301 AFS 0.9021
302 LEU 0.9020
303 NSB 0.9019
304 ILE 0.9018
305 53C 0.9015
306 M45 0.9014
307 069 0.9014
308 FUD 0.9013
309 SOL 0.9012
310 DHR 0.9009
311 LFC 0.9009
312 4CS 0.9008
313 CP 0.9008
314 ISZ 0.9005
315 B3U 0.9004
316 CCU 0.9003
317 717 0.9002
318 LPK 0.9001
319 GG6 0.9000
320 MLZ 0.9000
321 4VP 0.8999
322 VAH 0.8999
323 7A8 0.8995
324 8GL 0.8995
325 K34 0.8995
326 4JL 0.8993
327 KPL 0.8993
328 3HG 0.8993
329 MET 0.8992
330 HYP 0.8991
331 CMS 0.8990
332 XRG 0.8990
333 M6W 0.8990
334 DPN 0.8988
335 NLE 0.8988
336 AOS 0.8988
337 2FT 0.8987
338 MPD 0.8986
339 IZC 0.8986
340 F9P 0.8983
341 49F 0.8983
342 5OY 0.8979
343 5XB 0.8978
344 ORN 0.8977
345 GLY ALA 0.8977
346 FBU 0.8977
347 FBM 0.8976
348 K7M 0.8975
349 PO6 0.8975
350 OCA 0.8973
351 P9P 0.8970
352 TZL 0.8969
353 7WG 0.8967
354 7MU 0.8966
355 PBZ 0.8966
356 A13 0.8965
357 8EW 0.8964
358 NMG 0.8963
359 OVV 0.8963
360 WCE 0.8962
361 ALA ALA 0.8961
362 PHU 0.8961
363 SNE 0.8961
364 TIU 0.8960
365 BHO 0.8959
366 AMH 0.8957
367 CFI 0.8954
368 GLY CYS 0.8952
369 HDH 0.8949
370 KOJ 0.8943
371 P72 0.8943
372 DHB 0.8943
373 EVF 0.8941
374 MYJ 0.8938
375 POP 0.8938
376 TYL 0.8937
377 PCT 0.8937
378 3QM 0.8937
379 2JJ 0.8936
380 NTU 0.8935
381 MNN 0.8934
382 XIZ 0.8934
383 M3H 0.8933
384 3HP 0.8932
385 54D 0.8932
386 4NC 0.8931
387 650 0.8931
388 FEH 0.8929
389 XM0 0.8927
390 Z82 0.8927
391 DAL DAL 0.8926
392 DYA 0.8926
393 2A9 0.8925
394 IVL 0.8925
395 C5A 0.8925
396 4MA 0.8925
397 Q03 0.8924
398 5HN 0.8923
399 NMJ 0.8922
400 MAJ 0.8922
401 AEF 0.8922
402 JYD 0.8920
403 7UC 0.8920
404 NIO 0.8920
405 SMN 0.8918
406 3BU 0.8917
407 36E 0.8917
408 HBD 0.8917
409 9TW 0.8916
410 LDU 0.8915
411 BP9 0.8914
412 FB1 0.8914
413 9X7 0.8914
414 TAG 0.8914
415 BAM 0.8912
416 LNR 0.8911
417 4HP 0.8911
418 RJY 0.8910
419 CHB 0.8909
420 16D 0.8908
421 ZBT 0.8907
422 R2P 0.8905
423 OOG 0.8904
424 ARG 0.8903
425 HCI 0.8903
426 ASC 0.8903
427 268 0.8902
428 RMN 0.8901
429 DA4 0.8901
430 6PC 0.8901
431 GLO 0.8900
432 SKJ 0.8900
433 4A3 0.8899
434 SS2 0.8898
435 4WL 0.8897
436 RHU 0.8897
437 SSB 0.8896
438 3BZ 0.8896
439 NCA 0.8896
440 MXN 0.8895
441 93K 0.8895
442 CXP 0.8893
443 MAH 0.8893
444 PZA 0.8889
445 173 0.8887
446 B40 0.8886
447 2AL 0.8884
448 UY7 0.8882
449 XIY 0.8882
450 6XA 0.8881
451 SS1 0.8881
452 SHI 0.8880
453 CUW 0.8879
454 PIM 0.8879
455 FAN 0.8878
456 RSF 0.8878
457 KTA 0.8877
458 FBA 0.8876
459 UNU 0.8876
460 M4T 0.8876
461 GJZ 0.8875
462 NXA 0.8873
463 DER 0.8873
464 HF2 0.8873
465 PIY 0.8872
466 K5W 0.8871
467 SAT 0.8870
468 9RW 0.8869
469 LX1 0.8869
470 PAE 0.8869
471 OCT 0.8868
472 DHS 0.8868
473 8OZ 0.8867
474 258 0.8866
475 4P5 0.8865
476 88L 0.8864
477 RAT 0.8863
478 NNO 0.8863
479 2D8 0.8863
480 YRL 0.8862
481 NCT 0.8862
482 3AL 0.8862
483 HZP 0.8862
484 TCA 0.8861
485 RSO 0.8861
486 INO 0.8858
487 UYA 0.8858
488 6OT 0.8858
489 AC0 0.8858
490 Q02 0.8858
491 BML 0.8857
492 2BX 0.8855
493 I4B 0.8854
494 QSB 0.8853
495 BPN 0.8851
496 PBA 0.8851
497 SW7 0.8851
498 DAR 0.8851
499 PNZ 0.8850
500 MRY 0.8849
501 5OB 0.8849
502 CPZ 0.8847
503 FHB 0.8846
504 TPA 0.8846
505 NBZ 0.8845
506 I1E 0.8844
507 GLR 0.8844
508 4NG 0.8843
509 NIZ 0.8843
510 DEZ 0.8843
511 NSD 0.8843
512 FBF 0.8842
513 MSR 0.8841
514 CXF 0.8839
515 PEA 0.8838
516 AHN 0.8835
517 GOJ 0.8835
518 NYL 0.8834
519 R9S 0.8834
520 1Y6 0.8834
521 P80 0.8833
522 VGL 0.8833
523 DXP 0.8830
524 2BG 0.8830
525 HSE 0.8829
526 N4B 0.8829
527 C21 0.8828
528 TH7 0.8828
529 1LN 0.8827
530 6M9 0.8827
531 MED 0.8826
532 QSC 0.8826
533 BNF 0.8824
534 KIV 0.8824
535 KMT 0.8822
536 ENV 0.8822
537 3HM 0.8821
538 2HO 0.8821
539 3V4 0.8820
540 A3M 0.8817
541 4NZ 0.8817
542 ABV 0.8816
543 2LP 0.8816
544 YCP 0.8815
545 14J 0.8815
546 XX2 0.8814
547 ANN 0.8814
548 HMH 0.8813
549 H42 0.8811
550 4ZA 0.8811
551 HSM 0.8810
552 5RP 0.8810
553 PJL 0.8810
554 5XC 0.8808
555 PEL 0.8808
556 BRT 0.8807
557 3ID 0.8807
558 R2B 0.8806
559 1P3 0.8805
560 APG 0.8805
561 BZX 0.8805
562 BSX 0.8804
563 4BZ 0.8802
564 HX4 0.8802
565 NSP 0.8802
566 AOT 0.8801
567 HHH 0.8801
568 NTN 0.8800
569 GRO 0.8800
570 S7A 0.8800
571 BZ3 0.8799
572 RBJ 0.8798
573 36Y 0.8797
574 S2P 0.8797
575 H8N 0.8797
576 6NI 0.8795
577 TYR 0.8794
578 1CO 0.8794
579 BTM 0.8794
580 DMJ 0.8793
581 O8Y 0.8792
582 AEG 0.8792
583 6M4 0.8792
584 PH3 0.8791
585 MD0 0.8790
586 3DM 0.8789
587 PPT 0.8789
588 826 0.8789
589 DLT 0.8788
590 MLI 0.8788
591 NVA 0.8787
592 FPI 0.8785
593 1M2 0.8785
594 4LW 0.8785
595 4NM 0.8784
596 24B 0.8784
597 RP3 0.8783
598 1AB 0.8783
599 MRZ 0.8782
600 8GC 0.8780
601 4TB 0.8780
602 SNU 0.8779
603 R1X 0.8778
604 271 0.8777
605 PRO 0.8776
606 JZ4 0.8775
607 ORO 0.8773
608 SKG 0.8773
609 11S 0.8773
610 PPY 0.8772
611 ES2 0.8771
612 QUS 0.8771
613 L14 0.8771
614 HCS 0.8769
615 PRA 0.8769
616 69O 0.8769
617 X1R 0.8768
618 DMD 0.8768
619 5HY 0.8767
620 SMV 0.8764
621 TYE 0.8762
622 FA0 0.8762
623 PKU 0.8761
624 Z13 0.8761
625 B3M 0.8761
626 I3E 0.8760
627 2MI 0.8760
628 ET2 0.8760
629 TZF 0.8759
630 E5X 0.8758
631 GTQ 0.8757
632 IMR 0.8757
633 LEA 0.8756
634 GTK 0.8756
635 BHU 0.8756
636 ES9 0.8756
637 AX7 0.8755
638 HQJ 0.8755
639 UFV 0.8754
640 2EH 0.8754
641 5MI 0.8754
642 FK1 0.8754
643 F4E 0.8753
644 DOB 0.8752
645 6TZ 0.8752
646 RUY 0.8752
647 AMC 0.8751
648 1BN 0.8751
649 4JM 0.8750
650 4M0 0.8750
651 BHA 0.8749
652 M6H 0.8749
653 VAL 0.8749
654 2MH 0.8749
655 SN4 0.8748
656 F05 0.8746
657 L5V 0.8746
658 SYN 0.8744
659 4JU 0.8744
660 PEZ 0.8744
661 3FH 0.8744
662 F60 0.8744
663 XXG 0.8743
664 L99 0.8743
665 HX3 0.8743
666 92K 0.8742
667 JZ7 0.8742
668 M58 0.8742
669 MPV 0.8741
670 XRX 0.8739
671 DCL 0.8739
672 MLA 0.8739
673 A5E 0.8738
674 THR 0.8737
675 5H1 0.8736
676 IFM 0.8735
677 14O 0.8735
678 HY1 0.8734
679 FYU 0.8734
680 ALO 0.8733
681 JZ5 0.8732
682 TMH 0.8732
683 C1M 0.8732
684 45L 0.8732
685 4XR 0.8732
686 IPB 0.8732
687 TFB 0.8731
688 5WZ 0.8730
689 LR5 0.8730
690 ZZT 0.8729
691 DTL 0.8729
692 FBB 0.8729
693 IHB 0.8728
694 EDG 0.8728
695 OXC 0.8728
696 IFL 0.8725
697 3U4 0.8725
698 TZE 0.8725
699 F9Y 0.8724
700 6AI 0.8724
701 2F6 0.8723
702 LLH 0.8723
703 AKB 0.8723
704 3HL 0.8722
705 1P8 0.8722
706 5MB 0.8721
707 7VP 0.8721
708 R20 0.8718
709 54G 0.8718
710 CNL 0.8718
711 CLW 0.8717
712 270 0.8717
713 O7U 0.8715
714 64Z 0.8714
715 4P0 0.8713
716 S7J 0.8713
717 SAL 0.8712
718 K2T 0.8710
719 4LV 0.8709
720 GIF 0.8708
721 HC4 0.8708
722 VGD 0.8707
723 8WO 0.8706
724 174 0.8706
725 911 0.8705
726 GCO 0.8705
727 1DU 0.8704
728 3MV 0.8703
729 MR1 0.8703
730 36R 0.8702
731 ODV 0.8702
732 BE2 0.8700
733 MNM 0.8699
734 IWT 0.8699
735 3W8 0.8699
736 23J 0.8698
737 FP1 0.8697
738 8NY 0.8696
739 HL4 0.8695
740 P92 0.8695
741 FUB 0.8694
742 CSS 0.8694
743 OHP 0.8693
744 SYV 0.8692
745 CIZ 0.8692
746 AHR 0.8692
747 5LA 0.8691
748 51F 0.8691
749 5CU 0.8690
750 1L5 0.8690
751 4CM 0.8690
752 CEE 0.8689
753 HBX 0.8687
754 BNL 0.8687
755 MSE 0.8686
756 MLE 0.8685
757 IPU 0.8684
758 03V 0.8683
759 2PC 0.8683
760 OW4 0.8682
761 ES5 0.8681
762 9SE 0.8681
763 KDF 0.8681
764 AC5 0.8677
765 4SD 0.8674
766 2AQ 0.8674
767 41K 0.8672
768 5NI 0.8670
769 TP5 0.8670
770 264 0.8668
771 AES 0.8667
772 HPP 0.8666
773 ABU 0.8666
774 3SK 0.8666
775 4FS 0.8666
776 SSN 0.8665
777 FA1 0.8665
778 DOR 0.8664
779 9TZ 0.8663
780 6NT 0.8663
781 BZ2 0.8662
782 CTL 0.8661
783 3MB 0.8661
784 OVM 0.8661
785 259 0.8658
786 N9J 0.8658
787 1SP 0.8657
788 269 0.8656
789 LRH 0.8655
790 Q06 0.8655
791 2CK 0.8655
792 6FZ 0.8654
793 261 0.8653
794 TZC 0.8653
795 WOT 0.8650
796 OEM 0.8650
797 PRS 0.8650
798 263 0.8650
799 3HA 0.8649
800 MT2 0.8649
801 VNL 0.8648
802 8U3 0.8647
803 COU 0.8647
804 D1X 0.8646
805 AHC 0.8646
806 OCH 0.8645
807 HNK 0.8645
808 DBH 0.8644
809 23W 0.8644
810 SC2 0.8642
811 ABN 0.8640
812 AM4 0.8639
813 2TQ 0.8637
814 LDP 0.8637
815 DHY 0.8635
816 ILO 0.8630
817 OAF 0.8628
818 DGJ 0.8628
819 5RG 0.8626
820 1MR 0.8626
821 PYC 0.8625
822 8SZ 0.8624
823 BUB 0.8623
824 PBE 0.8623
825 IDM 0.8621
826 OHG 0.8620
827 IP0 0.8615
828 3NY 0.8615
829 JLZ 0.8614
830 JBN 0.8612
831 GYE 0.8611
832 F31 0.8610
833 ZXD 0.8609
834 3PF 0.8608
835 LFR 0.8608
836 MZW 0.8608
837 2ZM 0.8607
838 AW5 0.8606
839 3PO 0.8606
840 JKE 0.8603
841 5M0 0.8602
842 0MK 0.8602
843 4JT 0.8599
844 C2A 0.8598
845 GVG 0.8596
846 XQ0 0.8596
847 1KA 0.8594
848 CTS 0.8593
849 0HN 0.8593
850 I3A 0.8589
851 FOA 0.8588
852 IVA 0.8586
853 DDW 0.8583
854 DMG 0.8583
855 J9Q 0.8583
856 2HC 0.8582
857 DDK 0.8580
858 GZL 0.8576
859 CIR 0.8576
860 HPY 0.8575
861 R8A 0.8575
862 IQ0 0.8574
863 273 0.8570
864 282 0.8567
865 SKM 0.8566
866 BDP 0.8564
867 RIB 0.8560
868 AAE 0.8560
869 T2C 0.8557
870 1F1 0.8557
871 SGL 0.8554
872 ESX 0.8551
873 97T 0.8550
874 LQ2 0.8549
875 ABI 0.8548
876 JF6 0.8547
877 5NU 0.8546
878 NK 0.8544
879 ICB 0.8544
880 JAW 0.8541
881 4NB 0.8538
882 3A9 0.8537
883 B09 0.8537
884 ASO 0.8536
885 0HO 0.8534
886 4HM 0.8534
887 AZM 0.8531
888 SNO 0.8523
889 EUG 0.8521
890 FBT 0.8521
891 DTU 0.8519
Ligand no: 3; Ligand: P6F; Similar ligands found: 4
No: Ligand Similarity coefficient
1 PH4 0.8902
2 TD4 0.8871
3 HDX 0.8819
4 SCK 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3C56; Ligand: PH4; 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: 3c56.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3C56; Ligand: PH4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3c56.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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