Receptor
PDB id Resolution Class Description Source Keywords
6CSQ 2.03 Å EC: 3.5.1.98 CRYSTAL STRUCTURE OF DANIO RERIO HISTONE DEACETYLASE 6 CATAL DOMAIN 2 IN COMPLEX WITH CYCLOHEXYLHYDROXAMATE DANIO RERIO ZINC HYDROLASE TUBULIN DEACETYLASE HYDROLASE
Ref.: ENTROPY AS A DRIVER OF SELECTIVITY FOR INHIBITOR BI HISTONE DEACETYLASE 6. BIOCHEMISTRY V. 57 3916 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K A:802;
B:802;
A:803;
B:803;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
39.098 K [K+]
F9P A:804;
B:804;
Valid;
Valid;
none;
none;
Kd = 410 nM
143.184 C7 H13 N O2 C1CCC...
ZN A:801;
B:801;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EF7 1.9 Å EC: 3.5.1.98 CRYSTAL STRUCTURE OF DANIO RERIO HISTONE DEACETYLASE 6 CATAL DOMAIN 2 IN COMPLEX WITH HPOB DANIO RERIO HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: HISTONE DEACETYLASE 6 STRUCTURE AND MOLECULAR BASIS CATALYSIS AND INHIBITION. NAT.CHEM.BIOL. V. 12 741 2016
Members (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5EEN - 5OG C15 H14 N2 O4 S c1ccc(cc1)....
2 5EFH Ki = 0.8 uM FKS C10 H21 F3 N2 O2 C(CCC(C(F)....
3 6Q0Z - P7V C10 H7 Br N2 O3 c1cc(ccc1c....
4 5EEK - TSN C17 H22 N2 O3 C[C@H](C=C....
5 6PZS - P7J C18 H26 N2 O2 CC1([C@@H]....
6 6PZU - A6I C25 H32 N4 O6 C[C@@H](C(....
7 6CSQ Kd = 410 nM F9P C7 H13 N O2 C1CCC(CC1)....
8 5WGK - AGJ C18 H20 N2 O4 c1ccc(cc1)....
9 5EFN - ARG GLY 5OL MCM n/a n/a
10 6R0K ic50 = 12 nM JNN C13 H11 Cl2 N3 O4 c1cc(c(cc1....
11 5EEI - SHH C14 H20 N2 O3 c1ccc(cc1)....
12 6CSS Kd = 25 nM FBJ C6 H9 N O2 C1CC=C(C1)....
13 6CGP ic50 = 0.058 uM F1Y C17 H18 N4 O2 CCCc1c(n2c....
14 6V7A ic50 = 264.4 nM QQG C21 H25 N3 O2 CN1CC2(CCN....
15 5WGL - AH4 C24 H27 N5 O3 c1ccc(cc1)....
16 6CSP Kd = 3 nM FBM C7 H11 N O2 C1CCC(=CC1....
17 5WGI - TSN C17 H22 N2 O3 C[C@H](C=C....
18 6PZO - P6Y C15 H12 F3 N3 O3 c1cc(c(nc1....
19 6DVM ic50 = 3 nM HBJ C26 H28 N4 O4 Cc1ccc(cc1....
20 6CSR Kd = 144 nM BHO C7 H7 N O2 c1ccc(cc1)....
21 5EFK - SER ASP ALY MCM n/a n/a
22 6PYE ic50 = 0.03 uM P5Y C25 H21 F3 N6 O3 c1ccc(cc1)....
23 6DVO ic50 = 60 nM HBV C20 H27 F N2 O2 CN(Cc1ccc(....
24 6DVL ic50 = 11 nM HBG C25 H31 N3 O4 Cc1cc(cc(c....
25 5EFJ Ki = 0.35 uM 5OM DPR ALA DAL n/a n/a
26 6PZR - P7D C16 H19 N3 O4 S CN(C)Cc1cc....
27 6DVN ic50 = 14 nM HB7 C26 H28 N4 O4 CN(C)c1ccc....
28 5EF7 Ki = 1 nM 5OJ C17 H18 N2 O4 c1ccc(cc1)....
29 5WGM - AH7 C17 H18 F2 N4 O2 c1ccc(cc1)....
30 6VNR - R5G C17 H15 N3 O4 c1cc(ccc1C....
70% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5EEN - 5OG C15 H14 N2 O4 S c1ccc(cc1)....
2 5EFH Ki = 0.8 uM FKS C10 H21 F3 N2 O2 C(CCC(C(F)....
3 6Q0Z - P7V C10 H7 Br N2 O3 c1cc(ccc1c....
4 5EEK - TSN C17 H22 N2 O3 C[C@H](C=C....
5 6PZS - P7J C18 H26 N2 O2 CC1([C@@H]....
6 6PZU - A6I C25 H32 N4 O6 C[C@@H](C(....
7 6CSQ Kd = 410 nM F9P C7 H13 N O2 C1CCC(CC1)....
8 5WGK - AGJ C18 H20 N2 O4 c1ccc(cc1)....
9 5EFN - ARG GLY 5OL MCM n/a n/a
10 6R0K ic50 = 12 nM JNN C13 H11 Cl2 N3 O4 c1cc(c(cc1....
11 5EEI - SHH C14 H20 N2 O3 c1ccc(cc1)....
12 6CSS Kd = 25 nM FBJ C6 H9 N O2 C1CC=C(C1)....
13 6CGP ic50 = 0.058 uM F1Y C17 H18 N4 O2 CCCc1c(n2c....
14 6V7A ic50 = 264.4 nM QQG C21 H25 N3 O2 CN1CC2(CCN....
15 5WGL - AH4 C24 H27 N5 O3 c1ccc(cc1)....
16 6CSP Kd = 3 nM FBM C7 H11 N O2 C1CCC(=CC1....
17 5WGI - TSN C17 H22 N2 O3 C[C@H](C=C....
18 6PZO - P6Y C15 H12 F3 N3 O3 c1cc(c(nc1....
19 6DVM ic50 = 3 nM HBJ C26 H28 N4 O4 Cc1ccc(cc1....
20 6CSR Kd = 144 nM BHO C7 H7 N O2 c1ccc(cc1)....
21 5EFK - SER ASP ALY MCM n/a n/a
22 6PYE ic50 = 0.03 uM P5Y C25 H21 F3 N6 O3 c1ccc(cc1)....
23 6DVO ic50 = 60 nM HBV C20 H27 F N2 O2 CN(Cc1ccc(....
24 6DVL ic50 = 11 nM HBG C25 H31 N3 O4 Cc1cc(cc(c....
25 5EFJ Ki = 0.35 uM 5OM DPR ALA DAL n/a n/a
26 6PZR - P7D C16 H19 N3 O4 S CN(C)Cc1cc....
27 6DVN ic50 = 14 nM HB7 C26 H28 N4 O4 CN(C)c1ccc....
28 5EF7 Ki = 1 nM 5OJ C17 H18 N2 O4 c1ccc(cc1)....
29 5WGM - AH7 C17 H18 F2 N4 O2 c1ccc(cc1)....
30 6VNR - R5G C17 H15 N3 O4 c1cc(ccc1C....
50% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5EEN - 5OG C15 H14 N2 O4 S c1ccc(cc1)....
2 5EFH Ki = 0.8 uM FKS C10 H21 F3 N2 O2 C(CCC(C(F)....
3 6Q0Z - P7V C10 H7 Br N2 O3 c1cc(ccc1c....
4 5EEK - TSN C17 H22 N2 O3 C[C@H](C=C....
5 6PZS - P7J C18 H26 N2 O2 CC1([C@@H]....
6 6PZU - A6I C25 H32 N4 O6 C[C@@H](C(....
7 6CSQ Kd = 410 nM F9P C7 H13 N O2 C1CCC(CC1)....
8 5WGK - AGJ C18 H20 N2 O4 c1ccc(cc1)....
9 5EFN - ARG GLY 5OL MCM n/a n/a
10 6R0K ic50 = 12 nM JNN C13 H11 Cl2 N3 O4 c1cc(c(cc1....
11 5EEI - SHH C14 H20 N2 O3 c1ccc(cc1)....
12 6CSS Kd = 25 nM FBJ C6 H9 N O2 C1CC=C(C1)....
13 6CGP ic50 = 0.058 uM F1Y C17 H18 N4 O2 CCCc1c(n2c....
14 6V7A ic50 = 264.4 nM QQG C21 H25 N3 O2 CN1CC2(CCN....
15 5WGL - AH4 C24 H27 N5 O3 c1ccc(cc1)....
16 6CSP Kd = 3 nM FBM C7 H11 N O2 C1CCC(=CC1....
17 5WGI - TSN C17 H22 N2 O3 C[C@H](C=C....
18 6PZO - P6Y C15 H12 F3 N3 O3 c1cc(c(nc1....
19 6DVM ic50 = 3 nM HBJ C26 H28 N4 O4 Cc1ccc(cc1....
20 6CSR Kd = 144 nM BHO C7 H7 N O2 c1ccc(cc1)....
21 5EFK - SER ASP ALY MCM n/a n/a
22 6PYE ic50 = 0.03 uM P5Y C25 H21 F3 N6 O3 c1ccc(cc1)....
23 6DVO ic50 = 60 nM HBV C20 H27 F N2 O2 CN(Cc1ccc(....
24 6DVL ic50 = 11 nM HBG C25 H31 N3 O4 Cc1cc(cc(c....
25 5EFJ Ki = 0.35 uM 5OM DPR ALA DAL n/a n/a
26 6PZR - P7D C16 H19 N3 O4 S CN(C)Cc1cc....
27 6DVN ic50 = 14 nM HB7 C26 H28 N4 O4 CN(C)c1ccc....
28 5EF7 Ki = 1 nM 5OJ C17 H18 N2 O4 c1ccc(cc1)....
29 5WGM - AH7 C17 H18 F2 N4 O2 c1ccc(cc1)....
30 6VNR - R5G C17 H15 N3 O4 c1cc(ccc1C....
31 6UO5 - QCP C18 H20 N2 O3 CC(C)[C@@H....
32 6UO2 - TSN C17 H22 N2 O3 C[C@H](C=C....
33 6UO7 - QCP C18 H20 N2 O3 CC(C)[C@@H....
34 6UO4 - TSN C17 H22 N2 O3 C[C@H](C=C....
35 6UOC - QCM C24 H27 N3 O4 CCN(CC)Cc1....
36 6UOB - P7D C16 H19 N3 O4 S CN(C)Cc1cc....
37 5G0G ic50 = 5.45 nM TSN C17 H22 N2 O3 C[C@H](C=C....
38 5EEF - TSN C17 H22 N2 O3 C[C@H](C=C....
39 6WYQ - UFJ C14 H19 I N2 O3 c1cc(ccc1N....
40 6UO3 - QCP C18 H20 N2 O3 CC(C)[C@@H....
41 6WYP - UFS C27 H31 N3 O5 C#CCCCC(=O....
42 6WYO - TSN C17 H22 N2 O3 C[C@H](C=C....
43 3ZNS Ki = 0.039 uM NU7 C26 H24 F3 N5 O2 S CN1CCC(CC1....
44 3C0Z ic50 = 113 uM SHH C14 H20 N2 O3 c1ccc(cc1)....
45 3C10 ic50 = 0.3 uM TSN C17 H22 N2 O3 C[C@H](C=C....
46 3ZNR Ki = 0.036 uM NU9 C25 H21 F3 N4 O3 S c1ccc(cc1)....
47 2VQM ic50 = 978 nM HA3 C18 H16 N4 O3 S c1ccc(cc1)....
48 6FYZ Kd = 0.039 uM EBE C19 H16 F N3 O2 Cc1ncc(cn1....
49 2VQQ ic50 = 367 nM TFG C19 H16 F3 N3 O3 S c1ccc(cc1)....
50 2VQJ - TFG C19 H16 F3 N3 O3 S c1ccc(cc1)....
51 2VQO ic50 = 317 nM TFG C19 H16 F3 N3 O3 S c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F9P; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 F9P 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: F9P; Similar ligands found: 1219
No: Ligand Similarity coefficient
1 FEH 1.0000
2 FBM 0.9998
3 BHO 0.9984
4 NIZ 0.9951
5 ISZ 0.9936
6 CFI 0.9923
7 I1E 0.9824
8 TPA 0.9805
9 FBJ 0.9755
10 GJZ 0.9691
11 CXF 0.9690
12 PBC 0.9686
13 BEN 0.9671
14 AC0 0.9661
15 ZBT 0.9660
16 54D 0.9659
17 HY1 0.9648
18 TZL 0.9647
19 NCA 0.9646
20 MXN 0.9643
21 BEZ 0.9638
22 FAN 0.9638
23 6PC 0.9629
24 NBZ 0.9626
25 UNU 0.9621
26 MNN 0.9620
27 173 0.9620
28 SS1 0.9617
29 1DJ 0.9608
30 BAM 0.9608
31 OK7 0.9602
32 PHU 0.9582
33 SHA 0.9580
34 YCP 0.9580
35 J9T 0.9572
36 K34 0.9571
37 NIO 0.9570
38 268 0.9562
39 069 0.9559
40 M4T 0.9557
41 I3A 0.9557
42 MRZ 0.9554
43 BNS 0.9551
44 PEL 0.9545
45 M6W 0.9539
46 QSC 0.9536
47 PZA 0.9534
48 OTR 0.9526
49 XBT 0.9522
50 XM0 0.9519
51 NPO 0.9519
52 PHB 0.9515
53 DE5 0.9514
54 CEE 0.9511
55 HDH 0.9510
56 45L 0.9507
57 M3H 0.9506
58 7MU 0.9506
59 ABV 0.9499
60 QY9 0.9497
61 3NT 0.9497
62 JB5 0.9496
63 03V 0.9495
64 PIY 0.9494
65 TH7 0.9494
66 ES5 0.9484
67 GAB 0.9484
68 BE7 0.9481
69 OCH 0.9480
70 NYL 0.9476
71 2AQ 0.9474
72 COU 0.9473
73 NTN 0.9472
74 264 0.9471
75 PEA 0.9466
76 H42 0.9464
77 HL5 0.9462
78 BNF 0.9462
79 UGC 0.9461
80 AX7 0.9461
81 717 0.9461
82 4FS 0.9459
83 49F 0.9454
84 OAA 0.9454
85 PAB 0.9451
86 JAE 0.9450
87 AC6 0.9448
88 PIM 0.9446
89 BZ3 0.9443
90 SMN 0.9441
91 HSO 0.9439
92 2MI 0.9439
93 8OZ 0.9436
94 QDK 0.9434
95 DHI 0.9432
96 RSO 0.9429
97 PAC 0.9426
98 JZ7 0.9422
99 XIY 0.9421
100 AKG 0.9420
101 HMH 0.9419
102 9RW 0.9417
103 PZI 0.9417
104 PRA 0.9414
105 AL0 0.9409
106 N4B 0.9409
107 VGL 0.9406
108 4FA 0.9405
109 270 0.9404
110 J9N 0.9403
111 PBZ 0.9402
112 F05 0.9402
113 4JT 0.9400
114 PRO 0.9399
115 258 0.9398
116 MLT 0.9390
117 PKU 0.9389
118 PRS 0.9389
119 L99 0.9388
120 SS2 0.9388
121 RM1 0.9386
122 SD4 0.9381
123 M58 0.9381
124 RMN 0.9380
125 JZ5 0.9379
126 3PF 0.9379
127 Z82 0.9378
128 5WV 0.9376
129 3OC 0.9374
130 DYA 0.9373
131 53C 0.9370
132 HBD 0.9369
133 98J 0.9366
134 P72 0.9366
135 BZX 0.9365
136 4NC 0.9364
137 1Y6 0.9363
138 826 0.9363
139 EHM 0.9355
140 6M9 0.9353
141 BE2 0.9350
142 SAL 0.9349
143 3HB 0.9349
144 PMB 0.9347
145 GLL 0.9347
146 HCI 0.9343
147 YRL 0.9342
148 FQI 0.9341
149 LMR 0.9340
150 1M2 0.9339
151 GZL 0.9337
152 271 0.9336
153 4P5 0.9333
154 4JQ 0.9333
155 2BG 0.9332
156 DHB 0.9332
157 FB2 0.9332
158 14J 0.9331
159 XIZ 0.9329
160 93K 0.9329
161 OVV 0.9327
162 3Z8 0.9326
163 THE 0.9324
164 4MA 0.9322
165 NCT 0.9321
166 F60 0.9321
167 BCU 0.9320
168 PHE 0.9320
169 IT2 0.9320
170 5XC 0.9319
171 3ID 0.9317
172 GOJ 0.9316
173 AEF 0.9314
174 14O 0.9314
175 KJU 0.9314
176 ES2 0.9313
177 XYL 0.9312
178 RB5 0.9312
179 7N0 0.9312
180 5H1 0.9311
181 0P6 0.9311
182 5MI 0.9309
183 SW7 0.9307
184 ET2 0.9306
185 4CS 0.9306
186 URS 0.9304
187 ES7 0.9304
188 LNR 0.9301
189 DHR 0.9301
190 ASP 0.9300
191 GRO 0.9298
192 RJY 0.9296
193 97T 0.9296
194 HBA 0.9296
195 INO 0.9295
196 P92 0.9294
197 A29 0.9291
198 P9P 0.9291
199 FBB 0.9290
200 1P8 0.9290
201 SYN 0.9289
202 1PT 0.9288
203 A09 0.9287
204 MUC 0.9286
205 SIN 0.9284
206 5QY 0.9283
207 4ZA 0.9282
208 SYV 0.9282
209 2PC 0.9281
210 11S 0.9277
211 92K 0.9276
212 5FX 0.9276
213 2K4 0.9275
214 TLA 0.9275
215 LT1 0.9273
216 K2T 0.9273
217 GVG 0.9272
218 5WZ 0.9271
219 ISN 0.9271
220 ES6 0.9271
221 DBH 0.9270
222 N2I 0.9270
223 3U4 0.9268
224 BNL 0.9267
225 VNJ 0.9266
226 FP1 0.9265
227 6M4 0.9263
228 TFB 0.9261
229 PBA 0.9260
230 DMD 0.9260
231 WCE 0.9259
232 5MB 0.9259
233 NPY 0.9257
234 261 0.9257
235 LT2 0.9257
236 K6H 0.9256
237 C21 0.9256
238 2HO 0.9256
239 B40 0.9255
240 5GU 0.9254
241 J9Q 0.9253
242 CRN 0.9252
243 HYA 0.9251
244 EDR 0.9250
245 0BP 0.9250
246 4WL 0.9250
247 7W4 0.9249
248 HIO 0.9248
249 2PG 0.9248
250 XX2 0.9248
251 HIS 0.9247
252 JKE 0.9247
253 IWT 0.9246
254 H4N 0.9244
255 FHB 0.9243
256 8ZE 0.9243
257 FOC 0.9242
258 2CK 0.9241
259 ASC 0.9240
260 GTQ 0.9240
261 MR1 0.9239
262 FK1 0.9238
263 7HQ 0.9238
264 TZC 0.9238
265 2LP 0.9234
266 0RW 0.9232
267 QUZ 0.9231
268 1P7 0.9231
269 NNO 0.9230
270 R9S 0.9229
271 I4B 0.9227
272 ES9 0.9227
273 4A3 0.9227
274 MS9 0.9227
275 KKN 0.9226
276 7VP 0.9222
277 174 0.9221
278 4YO 0.9221
279 CXP 0.9220
280 3AB 0.9219
281 RBL 0.9217
282 PO6 0.9217
283 MYJ 0.9217
284 8EZ 0.9217
285 SHI 0.9216
286 3HM 0.9215
287 ASN 0.9214
288 KTA 0.9213
289 4RW 0.9213
290 TP5 0.9213
291 5OB 0.9212
292 23J 0.9211
293 6AI 0.9211
294 S2G 0.9208
295 XLS 0.9208
296 JBN 0.9208
297 3HA 0.9208
298 XUL 0.9206
299 9TW 0.9206
300 QMP 0.9205
301 5HN 0.9205
302 S2P 0.9204
303 BSX 0.9204
304 FUM 0.9204
305 LDP 0.9204
306 ABN 0.9203
307 GLY ALA 0.9202
308 TZE 0.9202
309 FCR 0.9200
310 2RH 0.9198
311 N2Z 0.9198
312 HFA 0.9197
313 TAR 0.9196
314 QSB 0.9195
315 HPS 0.9194
316 G3E 0.9194
317 8GC 0.9193
318 3M0 0.9193
319 SAN 0.9190
320 AOT 0.9189
321 K7M 0.9189
322 KOJ 0.9187
323 AMC 0.9186
324 IHB 0.9183
325 HSM 0.9183
326 JYD 0.9180
327 D48 0.9178
328 MQN 0.9178
329 URO 0.9177
330 CWS 0.9177
331 FA0 0.9177
332 DPR 0.9177
333 2FY 0.9176
334 J5I 0.9175
335 SMV 0.9175
336 FA1 0.9173
337 4VP 0.9171
338 DYT 0.9168
339 7WV 0.9168
340 265 0.9168
341 40E 0.9167
342 URP 0.9167
343 DAS 0.9167
344 HBX 0.9167
345 XRG 0.9166
346 0TU 0.9165
347 4VY 0.9165
348 SE2 0.9164
349 CHB 0.9163
350 CLW 0.9160
351 HQJ 0.9160
352 PCA 0.9160
353 JLZ 0.9159
354 PRY 0.9159
355 KUF 0.9158
356 3BZ 0.9158
357 DOB 0.9158
358 DIN 0.9157
359 Q88 0.9157
360 7B4 0.9157
361 SRT 0.9154
362 2FT 0.9154
363 5B1 0.9154
364 IDM 0.9154
365 273 0.9150
366 HLR 0.9147
367 GLY GLY 0.9146
368 8CM 0.9146
369 8NY 0.9145
370 PYC 0.9145
371 RBJ 0.9143
372 2D0 0.9143
373 F4E 0.9143
374 54G 0.9143
375 AEG 0.9141
376 7WG 0.9141
377 HX4 0.9141
378 6RQ 0.9141
379 M45 0.9141
380 2CO 0.9140
381 1WD 0.9140
382 RUY 0.9138
383 36R 0.9138
384 FK8 0.9137
385 TSU 0.9137
386 ICO 0.9137
387 LYL 0.9136
388 R20 0.9136
389 URQ 0.9134
390 2HQ 0.9134
391 RNS 0.9132
392 L5V 0.9131
393 A7W 0.9131
394 FPI 0.9131
395 FBV 0.9131
396 3LR 0.9129
397 HZP 0.9129
398 UYA 0.9129
399 GYE 0.9127
400 TGX 0.9127
401 ODO 0.9126
402 1A7 0.9126
403 VGD 0.9126
404 TZF 0.9126
405 GLU 0.9126
406 TYL 0.9125
407 4PN 0.9124
408 F9Y 0.9124
409 TEO 0.9122
410 XQ0 0.9121
411 HX3 0.9121
412 6FZ 0.9120
413 449 0.9120
414 NMJ 0.9119
415 ORO 0.9117
416 NFA 0.9116
417 FBS 0.9116
418 52C 0.9113
419 PBN 0.9113
420 IND 0.9112
421 2AL 0.9112
422 ISD 0.9109
423 FBA 0.9109
424 FB1 0.9109
425 LEU 0.9109
426 TIH 0.9108
427 R67 0.9107
428 3A9 0.9106
429 4JL 0.9106
430 SAF 0.9105
431 MSR 0.9105
432 JZ4 0.9104
433 1P3 0.9104
434 SYC 0.9103
435 51R 0.9103
436 4HP 0.9103
437 IZC 0.9102
438 5VM 0.9101
439 6NT 0.9101
440 SJ5 0.9100
441 LZ1 0.9100
442 YPN 0.9099
443 DPN 0.9097
444 BZI 0.9097
445 0HO 0.9097
446 60P 0.9095
447 0HN 0.9094
448 42J 0.9094
449 CWM 0.9093
450 GAG 0.9092
451 3NY 0.9092
452 JF6 0.9091
453 3SL 0.9091
454 TIU 0.9091
455 86J 0.9091
456 C2B 0.9091
457 7A8 0.9090
458 4M0 0.9090
459 MWP 0.9090
460 NLE 0.9089
461 OHP 0.9087
462 1LN 0.9087
463 1F1 0.9087
464 ES0 0.9086
465 ORN 0.9085
466 BHA 0.9085
467 MRW 0.9084
468 5RN 0.9084
469 BGC 0.9084
470 5RG 0.9083
471 5CU 0.9082
472 3F0 0.9082
473 SNU 0.9081
474 MED 0.9080
475 2ZM 0.9079
476 1DW 0.9079
477 9EW 0.9078
478 GLN 0.9078
479 8WT 0.9077
480 4JM 0.9076
481 SPV 0.9076
482 OKG 0.9075
483 BRT 0.9075
484 4SV 0.9074
485 9FL 0.9074
486 B85 0.9072
487 DS0 0.9070
488 3V4 0.9070
489 MPI 0.9069
490 TT4 0.9069
491 OXC 0.9068
492 PPY 0.9067
493 SEP 0.9067
494 0R1 0.9067
495 5QX 0.9067
496 1LQ 0.9066
497 R1X 0.9066
498 DAL DAL 0.9065
499 OVM 0.9065
500 SPA 0.9064
501 1DU 0.9064
502 HY3 0.9063
503 SYM 0.9062
504 ROR 0.9062
505 DGL 0.9062
506 42A 0.9059
507 DHK 0.9058
508 DHS 0.9058
509 KDV 0.9057
510 PNZ 0.9057
511 IQ0 0.9057
512 PMF 0.9056
513 C1M 0.9056
514 CTL 0.9055
515 COI 0.9055
516 FOA 0.9054
517 BZ2 0.9054
518 AAS 0.9053
519 AMS 0.9053
520 OGA 0.9053
521 PPR 0.9052
522 9J3 0.9050
523 3HP 0.9050
524 FBW 0.9049
525 MPV 0.9049
526 B3U 0.9048
527 SVN 0.9048
528 3QM 0.9047
529 CPZ 0.9047
530 D1X 0.9045
531 JBE 0.9044
532 5NU 0.9043
533 8WO 0.9043
534 PYJ 0.9042
535 8H8 0.9042
536 R2P 0.9041
537 HHH 0.9040
538 4J8 0.9040
539 1SA 0.9040
540 2F6 0.9039
541 IV2 0.9039
542 T2C 0.9039
543 K5W 0.9039
544 5HY 0.9039
545 HDA 0.9039
546 DHY 0.9038
547 DEE 0.9038
548 AHR 0.9038
549 QWN 0.9036
550 GUA 0.9036
551 ILE 0.9035
552 DOR 0.9033
553 CH9 0.9032
554 5M0 0.9032
555 TTL 0.9032
556 GBD 0.9030
557 AHB 0.9030
558 LYS 0.9030
559 MAE 0.9029
560 SDD 0.9028
561 2HG 0.9028
562 BZF 0.9028
563 P7Y 0.9027
564 PEP 0.9027
565 Q24 0.9027
566 2HU 0.9025
567 6NI 0.9025
568 S8V 0.9025
569 2AS 0.9024
570 FUD 0.9023
571 B24 0.9023
572 IFP 0.9023
573 SRO 0.9023
574 JFJ 0.9022
575 FE DB1 0.9022
576 TSS 0.9022
577 M1E 0.9022
578 3C4 0.9021
579 ANN 0.9020
580 JRB 0.9019
581 DGN 0.9018
582 OW4 0.9016
583 6TZ 0.9014
584 FYU 0.9014
585 AJV 0.9014
586 BPW 0.9013
587 X0V 0.9013
588 ICB 0.9012
589 IXW 0.9011
590 AW5 0.9008
591 HX2 0.9008
592 EOU 0.9007
593 XCZ 0.9007
594 IP0 0.9006
595 2IT 0.9005
596 0W8 0.9004
597 HIC 0.9002
598 SOR 0.9002
599 EA1 0.9001
600 RAT 0.8999
601 1DV 0.8998
602 4JP 0.8998
603 BDP 0.8998
604 GVH 0.8998
605 ABI 0.8998
606 HHA 0.8998
607 ALA ALA 0.8997
608 9CL 0.8997
609 ESP 0.8996
610 MEQ 0.8996
611 3IT 0.8996
612 A5E 0.8995
613 5NI 0.8995
614 7C3 0.8994
615 JAB 0.8994
616 E7Z 0.8994
617 4HM 0.8994
618 URC 0.8994
619 UY7 0.8993
620 APG 0.8993
621 LNO 0.8993
622 OEM 0.8992
623 DEN 0.8992
624 EKZ 0.8992
625 JBK 0.8992
626 4SX 0.8992
627 PY7 0.8991
628 4HC 0.8991
629 9ON 0.8987
630 12Q 0.8984
631 BEA 0.8984
632 9TZ 0.8984
633 SKM 0.8983
634 13P 0.8983
635 IOM 0.8983
636 LPK 0.8980
637 KMT 0.8980
638 4XR 0.8980
639 JZ9 0.8979
640 1IT 0.8979
641 HHI 0.8978
642 1L5 0.8978
643 G3P 0.8977
644 36Y 0.8977
645 15E 0.8977
646 EUG 0.8976
647 3AL 0.8974
648 4YS 0.8974
649 5SG 0.8973
650 9CA 0.8973
651 CN0 0.8972
652 ONL 0.8972
653 QXW 0.8972
654 3PG 0.8971
655 IPB 0.8970
656 SSB 0.8969
657 0JD 0.8969
658 VKC 0.8968
659 HC4 0.8968
660 MET 0.8967
661 J6W 0.8966
662 P58 0.8965
663 269 0.8964
664 GDE 0.8963
665 7VS 0.8963
666 AMH 0.8962
667 QSH 0.8962
668 5AC 0.8961
669 HNL 0.8960
670 HNK 0.8960
671 5IQ 0.8960
672 N8Y 0.8960
673 51F 0.8960
674 URF 0.8960
675 NBE 0.8957
676 1SQ 0.8956
677 DTL 0.8956
678 3MB 0.8955
679 4Z4 0.8955
680 F0J 0.8955
681 DGJ 0.8955
682 67N 0.8954
683 5RO 0.8954
684 B62 0.8954
685 HYP 0.8953
686 HCS 0.8953
687 NDH 0.8950
688 0R0 0.8949
689 APY 0.8948
690 DQU 0.8947
691 4FH 0.8945
692 KJH 0.8943
693 LZM 0.8943
694 94W 0.8942
695 4AA 0.8942
696 4MV 0.8941
697 DMV 0.8940
698 PYF 0.8940
699 9R5 0.8940
700 HH5 0.8940
701 Q02 0.8939
702 Q03 0.8939
703 282 0.8938
704 7W1 0.8937
705 EV0 0.8937
706 SHF 0.8936
707 3SK 0.8933
708 GLC 0.8932
709 6JN 0.8931
710 PEQ 0.8931
711 7BC 0.8930
712 R9Y 0.8929
713 0V5 0.8928
714 PZM 0.8928
715 MZW 0.8928
716 OOG 0.8927
717 L22 0.8927
718 LFC 0.8926
719 0LH 0.8926
720 HQY 0.8926
721 RUU 0.8926
722 RNT 0.8925
723 BP9 0.8925
724 ZZT 0.8925
725 I38 0.8923
726 CWJ 0.8923
727 ESX 0.8922
728 HL4 0.8921
729 N5J 0.8921
730 L3Q 0.8920
731 5Q0 0.8918
732 JPZ 0.8918
733 HPA 0.8918
734 DBX 0.8917
735 34D 0.8916
736 TYE 0.8916
737 Q9Z 0.8915
738 SX1 0.8915
739 V55 0.8915
740 XSP 0.8914
741 KPL 0.8914
742 C2A 0.8914
743 B2J 0.8913
744 TAG 0.8912
745 6ME 0.8911
746 9RH 0.8910
747 5MK 0.8910
748 1GP 0.8909
749 ES1 0.8909
750 6CS 0.8909
751 ACA 0.8908
752 RHU 0.8908
753 0CT 0.8907
754 HSE 0.8907
755 N3W 0.8906
756 3FH 0.8906
757 BHH 0.8904
758 PXL 0.8904
759 SNE 0.8904
760 BPN 0.8903
761 GXY 0.8903
762 23W 0.8902
763 HMU 0.8901
764 WBU 0.8900
765 4BF 0.8897
766 OXQ 0.8896
767 M6H 0.8896
768 293 0.8896
769 M1A 0.8896
770 GZQ 0.8896
771 2CQ 0.8895
772 XAN 0.8894
773 PH3 0.8893
774 JDN 0.8893
775 69O 0.8892
776 GRE 0.8891
777 4SD 0.8891
778 2A9 0.8890
779 JB8 0.8890
780 G2F 0.8889
781 FA3 0.8889
782 SWA 0.8888
783 ALE 0.8888
784 XDE 0.8888
785 24W 0.8888
786 1NP 0.8887
787 GGL 0.8887
788 GZ3 0.8886
789 H8N 0.8886
790 CSS 0.8886
791 2EC 0.8885
792 6M1 0.8885
793 9X7 0.8885
794 0VT 0.8884
795 NOY 0.8884
796 JA8 0.8883
797 JAW 0.8883
798 RIB 0.8883
799 VAH 0.8881
800 DFB 0.8881
801 DQA 0.8881
802 AOS 0.8880
803 HQT 0.8880
804 M0W 0.8880
805 JZ3 0.8880
806 SVD 0.8879
807 M0Q 0.8878
808 0OC 0.8877
809 F31 0.8877
810 ASO 0.8876
811 5XB 0.8876
812 1WC 0.8875
813 SKA 0.8875
814 VNL 0.8874
815 PGH 0.8873
816 E7S 0.8873
817 8GL 0.8871
818 TH0 0.8871
819 TYR 0.8870
820 4V2 0.8870
821 E5X 0.8870
822 LDU 0.8870
823 4NG 0.8869
824 PFF 0.8868
825 4P0 0.8867
826 1MR 0.8867
827 ITN 0.8866
828 61M 0.8866
829 EN1 0.8866
830 E35 0.8864
831 4NM 0.8864
832 44V 0.8864
833 BRH 0.8863
834 2TQ 0.8863
835 ESI 0.8863
836 I3E 0.8861
837 ZXD 0.8861
838 8TX 0.8861
839 NXA 0.8860
840 NMG 0.8858
841 AJ2 0.8857
842 NK 0.8856
843 IFL 0.8853
844 KT7 0.8853
845 G3H 0.8852
846 M5K 0.8851
847 15N 0.8851
848 NOJ 0.8850
849 0F9 0.8850
850 4BZ 0.8849
851 K6V 0.8847
852 3DO 0.8847
853 9YL 0.8846
854 O72 0.8845
855 JBH 0.8845
856 SC2 0.8845
857 IFM 0.8844
858 3DM 0.8844
859 MEV 0.8843
860 1WG 0.8843
861 M1H 0.8843
862 4XV 0.8842
863 1CO 0.8842
864 1DQ 0.8842
865 MTL 0.8841
866 IHG 0.8836
867 3XX 0.8836
868 AMQ 0.8835
869 VXX 0.8835
870 4MU 0.8834
871 EDG 0.8834
872 6F0 0.8834
873 PAF 0.8833
874 3BU 0.8830
875 GAL 0.8830
876 PD2 0.8830
877 1MC 0.8827
878 1BN 0.8826
879 ADE 0.8826
880 J0Z 0.8825
881 4M4 0.8825
882 E1T 0.8825
883 GCU 0.8824
884 OHG 0.8824
885 44W 0.8824
886 QUS 0.8823
887 3HG 0.8822
888 KDG 0.8821
889 R8A 0.8821
890 KMH 0.8820
891 DQY 0.8820
892 PGA 0.8820
893 WOT 0.8820
894 2HC 0.8819
895 BPY 0.8819
896 XDK 0.8818
897 4ZE 0.8818
898 150 0.8818
899 2AC 0.8818
900 ADZ 0.8818
901 TCA 0.8818
902 S24 0.8817
903 G2H 0.8817
904 R8V 0.8815
905 286 0.8813
906 MCT 0.8811
907 R2B 0.8811
908 NVA 0.8810
909 ABU 0.8810
910 PJW 0.8809
911 AZ9 0.8809
912 9ZE 0.8808
913 2LY 0.8806
914 HQD 0.8806
915 RSF 0.8806
916 3YP 0.8804
917 ADA 0.8802
918 34A 0.8802
919 259 0.8802
920 7HP 0.8802
921 XBZ 0.8801
922 AGK 0.8801
923 NF3 0.8800
924 1XA 0.8800
925 MWM 0.8799
926 GLO 0.8799
927 H7Y 0.8798
928 6LW 0.8798
929 GP9 0.8798
930 QIC 0.8797
931 9DG 0.8797
932 8EW 0.8795
933 C2Y 0.8795
934 MZG 0.8795
935 ONR 0.8793
936 75K 0.8793
937 HNH 0.8793
938 XYD 0.8792
939 ICF 0.8792
940 PDC 0.8792
941 NFM 0.8791
942 2MP 0.8791
943 PSJ 0.8790
944 DCL 0.8789
945 SME 0.8789
946 OXZ 0.8788
947 4XH 0.8788
948 SR1 0.8788
949 7ME 0.8788
950 AQO 0.8787
951 CMS 0.8786
952 2BX 0.8786
953 T9G 0.8785
954 A13 0.8785
955 AX3 0.8784
956 QX4 0.8784
957 8K2 0.8783
958 J1Z 0.8782
959 Z6J 0.8781
960 4ME 0.8780
961 MEW 0.8780
962 4XS 0.8780
963 AS3 0.8779
964 GWM 0.8778
965 BTE 0.8777
966 SLS 0.8776
967 DAB 0.8774
968 5JC 0.8774
969 4HO 0.8774
970 0N7 0.8772
971 KJY 0.8772
972 OVP 0.8770
973 MAH 0.8768
974 92G 0.8768
975 MUA 0.8768
976 NSP 0.8768
977 4CL 0.8767
978 MLI 0.8766
979 AZ8 0.8765
980 F4Z 0.8764
981 3R6 0.8764
982 XAZ 0.8763
983 MLA 0.8762
984 LTL 0.8761
985 B57 0.8761
986 C5A 0.8760
987 4JJ 0.8760
988 FGZ 0.8760
989 4ZC 0.8760
990 SXS 0.8760
991 H95 0.8759
992 WOO 0.8759
993 EGR 0.8758
994 Z5P 0.8758
995 TM7 0.8758
996 IJZ 0.8757
997 DMJ 0.8757
998 FOT 0.8756
999 24B 0.8756
1000 OMD 0.8756
1001 G3F 0.8756
1002 TDR 0.8755
1003 KP6 0.8754
1004 HT4 0.8754
1005 92P 0.8753
1006 QBM 0.8752
1007 KBB 0.8752
1008 FSG 0.8750
1009 HH8 0.8748
1010 FBU 0.8748
1011 AFR 0.8748
1012 JG8 0.8746
1013 MWJ 0.8746
1014 A9P 0.8744
1015 SOL 0.8744
1016 PYD 0.8744
1017 ICP 0.8744
1018 2AK 0.8743
1019 TC7 0.8743
1020 82I 0.8742
1021 2CL 0.8742
1022 IF7 0.8741
1023 G4D 0.8740
1024 JZ2 0.8740
1025 PE0 0.8738
1026 GIF 0.8738
1027 3OL 0.8737
1028 PRZ 0.8736
1029 ALL 0.8736
1030 ACH 0.8735
1031 36E 0.8735
1032 SN4 0.8735
1033 BVC 0.8735
1034 1LM 0.8734
1035 FBT 0.8734
1036 MJ2 0.8734
1037 LCN 0.8732
1038 BTY 0.8732
1039 GUN 0.8732
1040 JZ1 0.8731
1041 OTW 0.8730
1042 UFV 0.8729
1043 4TU 0.8728
1044 B55 0.8727
1045 MNM 0.8727
1046 MRY 0.8727
1047 10L 0.8726
1048 27Y 0.8726
1049 GCS 0.8726
1050 2D8 0.8725
1051 5LA 0.8724
1052 5MH 0.8721
1053 BZJ 0.8721
1054 A1U 0.8720
1055 XQG 0.8720
1056 ZZ3 0.8720
1057 SOE 0.8720
1058 2EH 0.8719
1059 A3M 0.8719
1060 45C 0.8719
1061 43M 0.8719
1062 MO8 0.8718
1063 AEH 0.8717
1064 DC5 0.8716
1065 EYK 0.8715
1066 129 0.8715
1067 2YU 0.8713
1068 R8S 0.8712
1069 HA5 0.8712
1070 AFS 0.8710
1071 OAF 0.8710
1072 APZ 0.8709
1073 KTW 0.8709
1074 Q6T 0.8709
1075 KIV 0.8708
1076 5UC 0.8704
1077 MLE 0.8704
1078 UNJ 0.8704
1079 FHC 0.8703
1080 O2A 0.8702
1081 2FQ 0.8702
1082 D3G 0.8701
1083 GLY PRO 0.8700
1084 DIU 0.8700
1085 ARW 0.8700
1086 32X 0.8698
1087 9FE 0.8698
1088 EQT 0.8696
1089 0FO 0.8696
1090 2H5 0.8694
1091 CFA 0.8693
1092 DTU 0.8693
1093 CLT 0.8690
1094 GAF 0.8690
1095 KTJ 0.8689
1096 4LW 0.8688
1097 5VL 0.8685
1098 7Q1 0.8683
1099 XXG 0.8681
1100 6AP 0.8681
1101 BR9 0.8681
1102 23A 0.8680
1103 MVN 0.8679
1104 DNF 0.8679
1105 BDF 0.8679
1106 0TR 0.8678
1107 3ZB 0.8678
1108 KYD 0.8678
1109 KBG 0.8677
1110 ABE 0.8676
1111 2XX 0.8676
1112 GTR 0.8674
1113 6KT 0.8674
1114 CLZ 0.8673
1115 FPY 0.8672
1116 HQ9 0.8671
1117 AAE 0.8671
1118 HVQ 0.8671
1119 LGC 0.8671
1120 2UB 0.8670
1121 XHP 0.8669
1122 1KP 0.8669
1123 GBN 0.8668
1124 2ZV 0.8667
1125 BP1 0.8665
1126 N6C 0.8664
1127 SSN 0.8664
1128 PAH 0.8663
1129 1Z6 0.8662
1130 AG2 0.8662
1131 DRL 0.8662
1132 4CH 0.8660
1133 NVU 0.8659
1134 IAC 0.8656
1135 0FN 0.8656
1136 CTS 0.8655
1137 PG0 0.8654
1138 MAK 0.8651
1139 GCO 0.8650
1140 X1S 0.8649
1141 GLA 0.8649
1142 Y8I 0.8647
1143 GCB 0.8646
1144 42C 0.8646
1145 5JL 0.8644
1146 YH7 0.8643
1147 GO2 0.8642
1148 0NX 0.8639
1149 7WA 0.8637
1150 DIE 0.8637
1151 L13 0.8635
1152 8IG 0.8634
1153 DFU 0.8634
1154 DEW 0.8631
1155 AZF 0.8630
1156 1AB 0.8630
1157 ZYR 0.8629
1158 S76 0.8628
1159 TLD 0.8627
1160 LLQ 0.8626
1161 428 0.8625
1162 E1P 0.8622
1163 PA1 0.8619
1164 0W1 0.8616
1165 7CZ 0.8616
1166 9DA 0.8614
1167 GIV 0.8613
1168 3S5 0.8612
1169 1KA 0.8611
1170 XXP 0.8611
1171 F81 0.8609
1172 2A7 0.8608
1173 1XM 0.8608
1174 4BY 0.8608
1175 F12 0.8608
1176 152 0.8605
1177 8XL 0.8605
1178 DX4 0.8603
1179 B53 0.8603
1180 4JO 0.8602
1181 2FG 0.8599
1182 6OT 0.8598
1183 APS 0.8598
1184 XYH 0.8597
1185 AZA 0.8595
1186 P4B 0.8594
1187 9HX 0.8593
1188 M4S 0.8593
1189 6MP 0.8593
1190 7MX 0.8590
1191 O45 0.8590
1192 7QS 0.8589
1193 ENO 0.8589
1194 FDB 0.8589
1195 BMA 0.8586
1196 TTY 0.8584
1197 HLZ 0.8583
1198 LQ2 0.8583
1199 FRU 0.8582
1200 UFO 0.8578
1201 149 0.8577
1202 8W9 0.8577
1203 PBE 0.8576
1204 0CU 0.8575
1205 7MK 0.8572
1206 6VD 0.8567
1207 A2F 0.8564
1208 FUB 0.8563
1209 P2D 0.8563
1210 EVA 0.8559
1211 M2K 0.8556
1212 0FK 0.8550
1213 DHC 0.8549
1214 IGA 0.8540
1215 AT3 0.8533
1216 290 0.8529
1217 IUR 0.8528
1218 EMZ 0.8524
1219 IVA 0.8519
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EF7; Ligand: 5OJ; 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: 5ef7.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5EF7; Ligand: 5OJ; 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: 5ef7.bio2) has 41 residues
No: Leader PDB Ligand Sequence Similarity
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