Receptor
PDB id Resolution Class Description Source Keywords
1O4O 1.7 Å EC: 2.7.1.112 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PHENYLPHOSPHATE. HOMO SAPIENS SH2 DOMAIN FRAGMENT APPROACH SIGNALING PROTEIN
Ref.: REQUIREMENTS FOR SPECIFIC BINDING OF LOW AFFINITY INHIBITOR FRAGMENTS TO THE SH2 DOMAIN OF (PP60)SRC ARE IDENTICAL TO THOSE FOR HIGH AFFINITY BINDING OF FULL LENGTH INHIBITORS. J.MED.CHEM. V. 46 5184 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HPS A:300;
A:400;
 Valid;
Valid;
 none;
none;
 ic50 = 3.5 mM
174.091 C6 H7 O4 P c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O44 1.7 Å EC: 2.7.1.112 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85052 HOMO SAPIENS SH2 DOMAIN FRAGMENT APPROACH SIGNALING PROTEIN
Ref.: REQUIREMENTS FOR SPECIFIC BINDING OF LOW AFFINITY INHIBITOR FRAGMENTS TO THE SH2 DOMAIN OF (PP60)SRC ARE IDENTICAL TO THOSE FOR HIGH AFFINITY BINDING OF FULL LENGTH INHIBITORS. J.MED.CHEM. V. 46 5184 2003
Members (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1O48 ic50 = 450 nM 853 C33 H35 N3 O7 CC(=O)N[C@....
2 1O4N ic50 > 40 mM OXD C2 H2 O4 C(=O)(C(=O....
3 1O44 ic50 = 3 nM 852 C34 H35 N3 O9 CC(=O)N[C@....
4 1O4G ic50 > 5 mM I59 C11 H11 O4 P c1ccc2c(c1....
5 1SHD ic50 = 0.67 uM ACE PTR GLU GLU ILE GLU n/a n/a
6 1O4O ic50 = 3.5 mM HPS C6 H7 O4 P c1ccc(cc1)....
7 1A08 Kd = 2.4 uM ACE FTY GLU DIP n/a n/a
8 1A07 Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
9 1A1B Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
10 1NZV Kd = 0.4 uM PRO GLN PTR ILE PTR VAL PRO ALA n/a n/a
11 1O4L ic50 > 40 mM CIT C6 H8 O7 C(C(=O)O)C....
12 1SHA - PTR VAL PRO MET LEU n/a n/a
13 1F1W - SER PTR VAL ASN VAL GLN ASN n/a n/a
14 1O4P ic50 = 2.5 mM 791 C9 H8 O4 c1ccc(cc1)....
15 1O49 ic50 = 437 nM 493 C32 H36 N3 O9 P CC(=O)N[C@....
16 1O47 ic50 = 4 nM 822 C31 H34 F2 N3 O6 P CC(=O)N[C@....
17 1A1A - ACE PTH GLU DIP n/a n/a
18 1SHB - PTR LEU ARG VAL ALA n/a n/a
19 1O4B ic50 = 2000 nM 876 C30 H35 N3 O9 P2 CC(=O)N[C@....
20 1IS0 Kd = 0.1 uM AY0 GLU GLU ILE n/a n/a
21 1A1E Kd = 1 uM ACE PTR GLU DIY n/a n/a
22 4F5B - PTR C9 H12 N O6 P c1cc(ccc1C....
23 1O4J ic50 = 4.4 mM IS2 C9 H12 N O4 P CCc1ccc(cc....
24 1BKM - 1C5 C26 H39 N4 O10 P CC(=O)N[C@....
25 1O4Q ic50 = 3.2 mM 256 C8 H8 O5 S c1ccc(cc1)....
26 1SKJ ic50 = 7 uM UR2 C25 H38 N3 O10 P CN(CCCC1CC....
27 1A1C Kd = 0.4 uM ACE PTR GLU DIX n/a n/a
28 1O4H ic50 = 3.6 mM 772 C10 H7 N2 O4 P c1cc2ccc(n....
29 1P13 - CYS ASP PTR ALA ASN PHE LYS n/a n/a
30 1KC2 Kd = 0.21 uM PRO GLN PTR GLU GLU ILE PRO ILE n/a n/a
31 1O4R ic50 = 3.9 mM 787 C7 H10 O6 P2 c1ccc(cc1)....
32 1O46 ic50 = 10 nM 903 C35 H36 F N3 O9 CC(=O)N[C@....
33 1NZL Kd = 0.07 uM PRO GLN PTR GLU PTR ILE PRO ALA n/a n/a
34 1O4M ic50 > 40 mM MLA C3 H4 O4 C(C(=O)O)C....
35 1O4F ic50 = 0.3 mM 790 C9 H12 N O4 P c1cc2c(c(c....
36 1O42 ic50 = 9 nM 843 C30 H34 N3 O7 P CC(=O)N[C@....
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1O48 ic50 = 450 nM 853 C33 H35 N3 O7 CC(=O)N[C@....
2 1O4N ic50 > 40 mM OXD C2 H2 O4 C(=O)(C(=O....
3 1O44 ic50 = 3 nM 852 C34 H35 N3 O9 CC(=O)N[C@....
4 1O4G ic50 > 5 mM I59 C11 H11 O4 P c1ccc2c(c1....
5 1SHD ic50 = 0.67 uM ACE PTR GLU GLU ILE GLU n/a n/a
6 1O4O ic50 = 3.5 mM HPS C6 H7 O4 P c1ccc(cc1)....
7 1A08 Kd = 2.4 uM ACE FTY GLU DIP n/a n/a
8 1A07 Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
9 1A1B Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
10 1NZV Kd = 0.4 uM PRO GLN PTR ILE PTR VAL PRO ALA n/a n/a
11 1O4L ic50 > 40 mM CIT C6 H8 O7 C(C(=O)O)C....
12 1SHA - PTR VAL PRO MET LEU n/a n/a
13 1F1W - SER PTR VAL ASN VAL GLN ASN n/a n/a
14 1O4P ic50 = 2.5 mM 791 C9 H8 O4 c1ccc(cc1)....
15 1O49 ic50 = 437 nM 493 C32 H36 N3 O9 P CC(=O)N[C@....
16 1O47 ic50 = 4 nM 822 C31 H34 F2 N3 O6 P CC(=O)N[C@....
17 1A1A - ACE PTH GLU DIP n/a n/a
18 1SHB - PTR LEU ARG VAL ALA n/a n/a
19 1O4B ic50 = 2000 nM 876 C30 H35 N3 O9 P2 CC(=O)N[C@....
20 1IS0 Kd = 0.1 uM AY0 GLU GLU ILE n/a n/a
21 1A1E Kd = 1 uM ACE PTR GLU DIY n/a n/a
22 4F5B - PTR C9 H12 N O6 P c1cc(ccc1C....
23 1O4J ic50 = 4.4 mM IS2 C9 H12 N O4 P CCc1ccc(cc....
24 1BKM - 1C5 C26 H39 N4 O10 P CC(=O)N[C@....
25 1O4Q ic50 = 3.2 mM 256 C8 H8 O5 S c1ccc(cc1)....
26 1SKJ ic50 = 7 uM UR2 C25 H38 N3 O10 P CN(CCCC1CC....
27 1A1C Kd = 0.4 uM ACE PTR GLU DIX n/a n/a
28 1O4H ic50 = 3.6 mM 772 C10 H7 N2 O4 P c1cc2ccc(n....
29 1P13 - CYS ASP PTR ALA ASN PHE LYS n/a n/a
30 1KC2 Kd = 0.21 uM PRO GLN PTR GLU GLU ILE PRO ILE n/a n/a
31 1O4R ic50 = 3.9 mM 787 C7 H10 O6 P2 c1ccc(cc1)....
32 1O46 ic50 = 10 nM 903 C35 H36 F N3 O9 CC(=O)N[C@....
33 1NZL Kd = 0.07 uM PRO GLN PTR GLU PTR ILE PRO ALA n/a n/a
34 1O4M ic50 > 40 mM MLA C3 H4 O4 C(C(=O)O)C....
35 1O4F ic50 = 0.3 mM 790 C9 H12 N O4 P c1cc2c(c(c....
36 1O42 ic50 = 9 nM 843 C30 H34 N3 O7 P CC(=O)N[C@....
37 1LKL Kd = 1540 nM ACE PTR GLU GLU GLY n/a n/a
38 1FBZ - CC1 C30 H41 N3 O10 P2 CC(=O)N[C@....
39 1IJR - CC0 C29 H38 N3 O10 P C[C@@H](c1....
40 1CWE - ACE GLN PM3 GLU GLU ILE PRO n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3C7I Ka = 440000 M^-1 TVN C21 H32 N5 O9 P CC(C)[C@@H....
2 3S8O Ka = 6960000 M^-1 ACE PTR 02K ASN NH2 n/a n/a
3 1O48 ic50 = 450 nM 853 C33 H35 N3 O7 CC(=O)N[C@....
4 1O4N ic50 > 40 mM OXD C2 H2 O4 C(=O)(C(=O....
5 1O44 ic50 = 3 nM 852 C34 H35 N3 O9 CC(=O)N[C@....
6 1O4G ic50 > 5 mM I59 C11 H11 O4 P c1ccc2c(c1....
7 1SHD ic50 = 0.67 uM ACE PTR GLU GLU ILE GLU n/a n/a
8 1O4O ic50 = 3.5 mM HPS C6 H7 O4 P c1ccc(cc1)....
9 1A08 Kd = 2.4 uM ACE FTY GLU DIP n/a n/a
10 1A07 Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
11 1JYQ Kd = 2 nM MAZ PTR PTM ASN n/a n/a
12 1LKK Kd = 140 nM ACE PTR GLU GLU ILE ACE n/a n/a
13 1BHF Kd = 42 uM ACE 1PA GLU GLU ILE n/a n/a
14 1LCK - GLU GLY GLN PTR GLN PRO GLN PRO ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HPS; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 HPS 1 1
2 BPM 0.485714 0.866667
3 GWM 0.470588 0.962963
4 4NP 0.432432 0.634146
5 88L 0.432432 0.896552
Similar Ligands (3D)
Ligand no: 1; Ligand: HPS; Similar ligands found: 731
No: Ligand Similarity coefficient
1 B85 0.9993
2 SYC 0.9985
3 QMP 0.9886
4 PMF 0.9835
5 Q03 0.9625
6 I4B 0.9612
7 M4T 0.9608
8 Q02 0.9570
9 SEP 0.9565
10 FB2 0.9557
11 PMB 0.9551
12 TSU 0.9542
13 PO6 0.9524
14 SAN 0.9524
15 DS0 0.9516
16 PAC 0.9482
17 QY9 0.9467
18 TPA 0.9452
19 FBS 0.9449
20 PEP 0.9445
21 X0V 0.9442
22 B40 0.9434
23 8U3 0.9433
24 ISZ 0.9414
25 1SA 0.9410
26 URS 0.9404
27 HF2 0.9399
28 PHU 0.9399
29 GJZ 0.9397
30 4J8 0.9391
31 PIM 0.9383
32 K7M 0.9382
33 FK8 0.9363
34 DPN 0.9361
35 BHO 0.9361
36 AMS 0.9357
37 PHE 0.9355
38 J0Z 0.9353
39 3PG 0.9347
40 HG3 0.9347
41 XIZ 0.9341
42 HCI 0.9339
43 4SX 0.9335
44 OSE 0.9334
45 268 0.9330
46 M3H 0.9327
47 3QM 0.9327
48 IZC 0.9318
49 2PG 0.9316
50 173 0.9314
51 DE5 0.9307
52 AAS 0.9307
53 TYL 0.9305
54 MES 0.9304
55 PRA 0.9304
56 OTR 0.9298
57 CFI 0.9292
58 AEG 0.9290
59 3HP 0.9289
60 4HP 0.9289
61 GZ3 0.9288
62 258 0.9287
63 OHP 0.9282
64 OGA 0.9278
65 EKZ 0.9275
66 NIZ 0.9269
67 PZI 0.9266
68 6FZ 0.9266
69 PIY 0.9265
70 FCR 0.9257
71 51R 0.9257
72 K5W 0.9256
73 1X4 0.9250
74 R9S 0.9246
75 BNF 0.9238
76 AKG 0.9234
77 NFA 0.9233
78 PAH 0.9232
79 SPA 0.9229
80 DGL 0.9227
81 RSO 0.9227
82 4P5 0.9226
83 K34 0.9225
84 4FH 0.9225
85 N4B 0.9223
86 TYE 0.9222
87 HPV 0.9220
88 OK7 0.9216
89 36E 0.9211
90 J9T 0.9209
91 GRO 0.9203
92 KTA 0.9203
93 MUC 0.9200
94 HSO 0.9199
95 CXF 0.9199
96 13P 0.9198
97 INO 0.9198
98 HFA 0.9196
99 PGH 0.9194
100 F9P 0.9194
101 3SL 0.9192
102 X1S 0.9188
103 FBM 0.9186
104 FAN 0.9186
105 G3H 0.9185
106 G3P 0.9185
107 SMN 0.9184
108 NYL 0.9182
109 SAF 0.9182
110 BNS 0.9180
111 HIS 0.9176
112 GP9 0.9173
113 PHB 0.9173
114 IFP 0.9173
115 UFV 0.9172
116 PAB 0.9172
117 HHH 0.9170
118 R9M 0.9166
119 A09 0.9166
120 XM0 0.9164
121 RMN 0.9164
122 P80 0.9162
123 1GP 0.9162
124 8OZ 0.9162
125 9RW 0.9160
126 NNO 0.9160
127 GVG 0.9159
128 4NC 0.9154
129 FBW 0.9153
130 2HC 0.9152
131 PEL 0.9149
132 GGL 0.9149
133 HQJ 0.9144
134 PBA 0.9144
135 I1E 0.9141
136 3FH 0.9139
137 FB1 0.9139
138 NCT 0.9139
139 P58 0.9139
140 GLU 0.9138
141 069 0.9138
142 271 0.9137
143 J9Q 0.9136
144 HDH 0.9134
145 PGA 0.9133
146 7N0 0.9132
147 F4E 0.9132
148 93K 0.9131
149 LNR 0.9130
150 L5V 0.9128
151 97T 0.9128
152 PBN 0.9128
153 PEA 0.9128
154 GUA 0.9127
155 3S5 0.9126
156 CXP 0.9126
157 52C 0.9125
158 AC6 0.9121
159 BTM 0.9120
160 XIY 0.9119
161 1M2 0.9119
162 4WL 0.9119
163 FBV 0.9119
164 HBD 0.9116
165 SPV 0.9115
166 MSR 0.9114
167 DHB 0.9114
168 BZ2 0.9113
169 DGN 0.9111
170 BEZ 0.9111
171 XCZ 0.9109
172 DHI 0.9107
173 PPR 0.9106
174 GLN 0.9105
175 BNL 0.9105
176 NPO 0.9105
177 9ON 0.9104
178 SVD 0.9103
179 3AB 0.9100
180 6TZ 0.9097
181 LT1 0.9091
182 S2G 0.9088
183 1Y6 0.9087
184 2BG 0.9087
185 R20 0.9086
186 ESP 0.9085
187 DHY 0.9083
188 EDR 0.9081
189 4ZA 0.9081
190 JZ7 0.9079
191 E4P 0.9078
192 IWT 0.9078
193 2HG 0.9076
194 HY1 0.9076
195 HC4 0.9075
196 92K 0.9075
197 NCA 0.9071
198 EN1 0.9069
199 6M4 0.9068
200 PBZ 0.9068
201 PBC 0.9068
202 M45 0.9068
203 TIH 0.9068
204 4JT 0.9067
205 FHB 0.9067
206 TCA 0.9067
207 JLZ 0.9066
208 2HO 0.9066
209 FEH 0.9066
210 ICB 0.9065
211 717 0.9065
212 6NT 0.9063
213 4A3 0.9062
214 M4S 0.9061
215 3OC 0.9060
216 2AL 0.9059
217 CEE 0.9058
218 FA1 0.9056
219 MYJ 0.9054
220 7MU 0.9054
221 2ZM 0.9054
222 4MA 0.9054
223 3PF 0.9054
224 DYT 0.9054
225 CCE 0.9052
226 4FA 0.9052
227 P9P 0.9051
228 CPZ 0.9050
229 1DV 0.9049
230 4LW 0.9049
231 3C4 0.9048
232 PH3 0.9048
233 MLT 0.9046
234 5NI 0.9046
235 36Y 0.9045
236 DHS 0.9044
237 0HO 0.9044
238 0HN 0.9041
239 URO 0.9039
240 0V5 0.9035
241 GPF 0.9035
242 S2P 0.9035
243 P7Y 0.9034
244 J9N 0.9034
245 BAM 0.9034
246 8K2 0.9032
247 DHK 0.9030
248 UA5 0.9030
249 BEN 0.9028
250 TZF 0.9027
251 JF6 0.9026
252 GPJ 0.9026
253 SNU 0.9025
254 3NY 0.9025
255 P72 0.9025
256 IHB 0.9022
257 HX4 0.9020
258 1F1 0.9019
259 CHB 0.9019
260 AOT 0.9018
261 RBJ 0.9017
262 ABI 0.9016
263 SS2 0.9014
264 7VP 0.9014
265 B3U 0.9013
266 ALA ALA 0.9013
267 2IT 0.9012
268 KOJ 0.9011
269 HMS 0.9009
270 NM3 0.9008
271 S8V 0.9007
272 1FD 0.9007
273 XXG 0.9006
274 PPY 0.9005
275 SHI 0.9005
276 ABV 0.9003
277 R2P 0.9001
278 9RH 0.9001
279 AC0 0.8999
280 ASP 0.8999
281 OAA 0.8999
282 5QY 0.8998
283 H42 0.8997
284 4LV 0.8997
285 CLT 0.8997
286 M6H 0.8997
287 TYR 0.8996
288 ESX 0.8995
289 MEQ 0.8995
290 JB5 0.8994
291 4PN 0.8994
292 SS1 0.8993
293 QSB 0.8993
294 9TW 0.8991
295 AX7 0.8991
296 PTU 0.8991
297 49F 0.8991
298 CHH 0.8990
299 ONL 0.8989
300 HPP 0.8988
301 Q9Z 0.8986
302 HHI 0.8986
303 23J 0.8983
304 IOM 0.8983
305 XX2 0.8982
306 UNU 0.8979
307 EXD 0.8978
308 AHC 0.8977
309 A29 0.8977
310 LMR 0.8976
311 3HB 0.8976
312 3YP 0.8975
313 6PC 0.8974
314 TYC 0.8972
315 AEF 0.8970
316 OMD 0.8970
317 VGL 0.8970
318 N2Z 0.8969
319 PC 0.8969
320 M5E 0.8969
321 6NI 0.8968
322 NTN 0.8967
323 GAB 0.8965
324 A13 0.8965
325 MTL 0.8964
326 SME 0.8964
327 N9J 0.8963
328 YRL 0.8962
329 PPT 0.8961
330 ES5 0.8961
331 3A9 0.8959
332 PEQ 0.8959
333 NIO 0.8958
334 PSE 0.8956
335 4LR 0.8956
336 COU 0.8956
337 2AQ 0.8955
338 HNK 0.8955
339 2LP 0.8954
340 03V 0.8953
341 RUY 0.8952
342 FP1 0.8948
343 MXN 0.8945
344 45L 0.8945
345 BRH 0.8942
346 826 0.8942
347 TIU 0.8942
348 GVM 0.8941
349 LFC 0.8941
350 4FS 0.8940
351 BSX 0.8937
352 DAL DAL 0.8937
353 0OC 0.8937
354 264 0.8936
355 1LN 0.8934
356 KMH 0.8932
357 MNN 0.8931
358 LDP 0.8929
359 SHA 0.8928
360 OCH 0.8928
361 APG 0.8928
362 SDF 0.8928
363 263 0.8927
364 R9J 0.8927
365 3NT 0.8927
366 33S 0.8926
367 1WC 0.8925
368 2HU 0.8925
369 3LR 0.8923
370 M74 0.8922
371 D48 0.8921
372 SD4 0.8921
373 MAJ 0.8920
374 4CS 0.8918
375 MJ2 0.8917
376 3HM 0.8915
377 PCA 0.8915
378 7WG 0.8915
379 7C3 0.8915
380 AMQ 0.8915
381 DTY 0.8913
382 SW7 0.8913
383 PFF 0.8912
384 CTL 0.8912
385 OVV 0.8910
386 Y4L 0.8910
387 QUS 0.8909
388 5WZ 0.8908
389 JAW 0.8908
390 8ZE 0.8907
391 1BN 0.8907
392 2UB 0.8906
393 SYM 0.8906
394 EVF 0.8906
395 4JQ 0.8905
396 HSM 0.8905
397 5XB 0.8905
398 FOC 0.8903
399 1DJ 0.8902
400 FHC 0.8902
401 261 0.8902
402 HSX 0.8901
403 IOS 0.8900
404 LUQ 0.8900
405 PRY 0.8899
406 GLY GLY 0.8899
407 JZ4 0.8898
408 2BX 0.8894
409 MPV 0.8893
410 COI 0.8892
411 AT3 0.8892
412 8WO 0.8889
413 Z82 0.8889
414 0BP 0.8887
415 4BF 0.8885
416 TLA 0.8884
417 SIN 0.8883
418 HBA 0.8883
419 ES2 0.8882
420 9FL 0.8880
421 PHI 0.8879
422 3HG 0.8879
423 DHR 0.8879
424 N2I 0.8878
425 ICO 0.8878
426 AFS 0.8878
427 YPN 0.8875
428 ISA 0.8872
429 GLO 0.8872
430 DAH 0.8871
431 L99 0.8871
432 4YO 0.8871
433 HQ9 0.8870
434 LAO 0.8869
435 IP8 0.8869
436 YOF 0.8869
437 HIC 0.8868
438 FBB 0.8868
439 PZA 0.8868
440 T9G 0.8867
441 61M 0.8867
442 K2T 0.8865
443 AX3 0.8865
444 174 0.8865
445 KVP 0.8864
446 ORO 0.8863
447 MSL 0.8863
448 HX2 0.8861
449 AL0 0.8860
450 YCP 0.8860
451 53C 0.8859
452 GBN 0.8859
453 XUL 0.8859
454 TZE 0.8856
455 MR1 0.8855
456 GDE 0.8855
457 ABF 0.8854
458 S24 0.8853
459 PLU 0.8852
460 ASC 0.8851
461 RAT 0.8851
462 MQN 0.8850
463 2CL 0.8850
464 OEG 0.8850
465 KPA 0.8850
466 FF3 0.8849
467 QSC 0.8849
468 M2K 0.8849
469 SKM 0.8849
470 2FY 0.8848
471 G3E 0.8848
472 ORN 0.8848
473 ENO 0.8847
474 HNL 0.8847
475 129 0.8847
476 270 0.8847
477 M6W 0.8846
478 SRT 0.8845
479 CCD 0.8844
480 XSP 0.8844
481 HJH 0.8843
482 449 0.8842
483 DYA 0.8842
484 5RN 0.8842
485 NBZ 0.8842
486 JFJ 0.8841
487 8GC 0.8840
488 IAC 0.8838
489 WCE 0.8837
490 5RP 0.8836
491 JDN 0.8835
492 TGX 0.8834
493 FA3 0.8832
494 5WV 0.8832
495 1P8 0.8830
496 PRZ 0.8829
497 P92 0.8828
498 0TU 0.8826
499 FBU 0.8825
500 RP5 0.8825
501 SYV 0.8823
502 ZXD 0.8821
503 BZ3 0.8820
504 51F 0.8819
505 JB8 0.8818
506 1P3 0.8817
507 KVV 0.8817
508 5OB 0.8817
509 CYX 0.8816
510 NMJ 0.8815
511 LYS 0.8814
512 ALE 0.8814
513 NLE 0.8813
514 CH9 0.8813
515 J6W 0.8812
516 2MI 0.8812
517 A5E 0.8809
518 H8N 0.8809
519 505 0.8806
520 2FT 0.8806
521 1XA 0.8806
522 PNZ 0.8805
523 J5I 0.8803
524 XBT 0.8799
525 DCO 0.8798
526 JAE 0.8798
527 TEO 0.8796
528 5XC 0.8796
529 HL4 0.8794
530 C1M 0.8794
531 LT2 0.8794
532 5GU 0.8793
533 ASN 0.8793
534 NDH 0.8792
535 AHN 0.8791
536 4V2 0.8790
537 OKG 0.8790
538 2F6 0.8790
539 TZL 0.8790
540 UNJ 0.8789
541 ET2 0.8788
542 GZL 0.8788
543 6DP 0.8788
544 LTL 0.8788
545 3BU 0.8787
546 ZBT 0.8786
547 5HN 0.8786
548 LYL 0.8784
549 SOR 0.8784
550 BHH 0.8780
551 0JD 0.8780
552 42J 0.8779
553 VGD 0.8778
554 JND 0.8776
555 PJW 0.8776
556 1DU 0.8775
557 URP 0.8774
558 RJY 0.8773
559 KJU 0.8772
560 SE2 0.8772
561 JRB 0.8772
562 1SH 0.8772
563 1L5 0.8772
564 LEU 0.8771
565 4TB 0.8770
566 HNH 0.8768
567 XDK 0.8768
568 0F9 0.8768
569 1A7 0.8767
570 CLW 0.8765
571 3AL 0.8765
572 92P 0.8764
573 KUF 0.8763
574 DMD 0.8762
575 HL5 0.8762
576 RNS 0.8762
577 6RQ 0.8760
578 XQI 0.8758
579 2RH 0.8758
580 TTL 0.8758
581 3ID 0.8757
582 1Z6 0.8757
583 GCO 0.8755
584 7MK 0.8753
585 XDE 0.8753
586 MP5 0.8752
587 15N 0.8752
588 ODO 0.8751
589 4XV 0.8749
590 KTJ 0.8749
591 KBB 0.8749
592 TT4 0.8746
593 BZX 0.8743
594 IC9 0.8742
595 4VP 0.8741
596 FQI 0.8741
597 FOM 0.8740
598 15E 0.8739
599 FBJ 0.8738
600 9CA 0.8738
601 2D0 0.8737
602 2HQ 0.8736
603 IXW 0.8735
604 0VT 0.8732
605 JZ5 0.8730
606 F60 0.8728
607 36R 0.8728
608 KDV 0.8728
609 ES7 0.8728
610 TZM 0.8727
611 R9Y 0.8727
612 NVU 0.8726
613 DIN 0.8726
614 RLG 0.8725
615 BRT 0.8725
616 SOL 0.8724
617 ABN 0.8723
618 DOR 0.8722
619 3PP 0.8721
620 ISN 0.8717
621 8WT 0.8717
622 F9Y 0.8716
623 AHR 0.8716
624 CXH 0.8715
625 152 0.8715
626 4JC 0.8712
627 XQ0 0.8711
628 54Z 0.8710
629 M1Z 0.8707
630 MRW 0.8707
631 FUD 0.8707
632 ZON 0.8705
633 CFA 0.8705
634 TAR 0.8704
635 KKN 0.8703
636 BDP 0.8703
637 S7A 0.8699
638 XRG 0.8697
639 AMH 0.8696
640 DHM 0.8696
641 C5A 0.8694
642 AS3 0.8692
643 A7W 0.8692
644 FSG 0.8691
645 BCU 0.8689
646 RUJ 0.8689
647 0A9 0.8687
648 HIO 0.8686
649 E0O 0.8685
650 7Q1 0.8683
651 40E 0.8682
652 9ZE 0.8681
653 2AS 0.8679
654 NSB 0.8678
655 ONR 0.8678
656 MED 0.8677
657 8GL 0.8674
658 1IT 0.8673
659 4XS 0.8673
660 QIC 0.8672
661 TAG 0.8671
662 ISD 0.8670
663 7A8 0.8669
664 BE7 0.8666
665 4XF 0.8663
666 54D 0.8662
667 FBA 0.8661
668 RB5 0.8660
669 XYL 0.8660
670 CRN 0.8657
671 IYR 0.8654
672 41K 0.8653
673 MS9 0.8653
674 N3W 0.8651
675 YTX 0.8646
676 MRZ 0.8645
677 HA5 0.8643
678 PKU 0.8643
679 C2B 0.8643
680 EV0 0.8641
681 XLS 0.8640
682 DAS 0.8638
683 LLQ 0.8638
684 9BF 0.8636
685 3BZ 0.8636
686 MET 0.8635
687 BVA 0.8634
688 9KH 0.8631
689 SNE 0.8630
690 L22 0.8630
691 SYN 0.8629
692 56D 0.8628
693 CN0 0.8627
694 GZ2 0.8626
695 B09 0.8624
696 86J 0.8623
697 4NG 0.8622
698 C2Y 0.8619
699 IT2 0.8619
700 RM1 0.8618
701 HHA 0.8616
702 CLU 0.8614
703 MZT 0.8613
704 7W4 0.8612
705 P84 0.8610
706 TSS 0.8609
707 IV2 0.8607
708 CWM 0.8606
709 7QS 0.8603
710 PYJ 0.8600
711 PG3 0.8599
712 TSR 0.8596
713 DQA 0.8593
714 CCU 0.8593
715 DHC 0.8590
716 ICF 0.8590
717 MAH 0.8583
718 4MV 0.8583
719 GYE 0.8583
720 JA8 0.8580
721 UGC 0.8580
722 4JM 0.8573
723 TRP 0.8572
724 57O 0.8566
725 B24 0.8555
726 86L 0.8553
727 Q06 0.8549
728 DDU 0.8537
729 VKC 0.8530
730 8CM 0.8523
731 P81 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O44; Ligand: 852; 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: 1o44.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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