Receptor
PDB id Resolution Class Description Source Keywords
6CSP 1.24 Å EC: 3.5.1.98 CRYSTAL STRUCTURE OF DANIO RERIO HISTONE DEACETYLASE 6 CATAL DOMAIN 2 IN COMPLEX WITH CYCLOHEXENYLHYDROXAMATE 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
EDO A:809;
A:817;
A:811;
B:806;
A:816;
B:809;
B:815;
B:812;
B:807;
A:810;
B:813;
A:814;
B:810;
B:811;
A:813;
B:814;
A:815;
A:808;
B:817;
B:808;
B:816;
A:812;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
K B:802;
A:802;
B:803;
A:803;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
39.098 K [K+]
CL A:805;
A:806;
A:804;
B:804;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
ZN A:801;
B:801;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
FBM A:807;
B:805;
Valid;
Valid;
none;
none;
Kd = 3 nM
141.168 C7 H11 N O2 C1CCC...
PEG B:818;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
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: FBM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FBM 1 1
2 FBJ 0.8 0.9375
Similar Ligands (3D)
Ligand no: 1; Ligand: FBM; Similar ligands found: 1243
No: Ligand Similarity coefficient
1 BHO 1.0000
2 ISZ 1.0000
3 F9P 0.9998
4 NIZ 0.9975
5 I1E 0.9954
6 CFI 0.9948
7 TPA 0.9847
8 FEH 0.9839
9 TZL 0.9742
10 ZBT 0.9742
11 BEZ 0.9738
12 PBC 0.9727
13 BEN 0.9713
14 MXN 0.9702
15 J9T 0.9690
16 OTR 0.9687
17 173 0.9685
18 MNN 0.9677
19 HY1 0.9671
20 SHA 0.9667
21 1DJ 0.9667
22 GJZ 0.9662
23 NIO 0.9660
24 54D 0.9659
25 BAM 0.9657
26 8OZ 0.9652
27 NBZ 0.9650
28 NCA 0.9647
29 069 0.9643
30 UNU 0.9642
31 6PC 0.9630
32 45L 0.9626
33 HDH 0.9619
34 AC0 0.9612
35 FAN 0.9608
36 PHB 0.9605
37 XBT 0.9604
38 PHU 0.9602
39 H42 0.9601
40 SS1 0.9588
41 7MU 0.9585
42 YCP 0.9584
43 CXF 0.9579
44 BNS 0.9576
45 NTN 0.9576
46 OK7 0.9572
47 M6W 0.9559
48 PZI 0.9556
49 PZA 0.9552
50 I3A 0.9549
51 M4T 0.9544
52 DE5 0.9543
53 CEE 0.9538
54 NPO 0.9537
55 PIY 0.9531
56 M3H 0.9529
57 268 0.9522
58 PEA 0.9517
59 VGL 0.9514
60 PEL 0.9513
61 XIY 0.9513
62 AC6 0.9508
63 K34 0.9505
64 SS2 0.9505
65 QY9 0.9493
66 BNF 0.9490
67 ABV 0.9488
68 PBZ 0.9483
69 QSC 0.9478
70 PAB 0.9478
71 JB5 0.9477
72 XM0 0.9477
73 PIM 0.9476
74 5WV 0.9476
75 BZX 0.9476
76 1M2 0.9472
77 J9N 0.9472
78 03V 0.9467
79 OAA 0.9467
80 AX7 0.9466
81 4P5 0.9465
82 ES5 0.9462
83 SMN 0.9462
84 HBD 0.9460
85 HSO 0.9456
86 MLT 0.9456
87 LMR 0.9455
88 COU 0.9454
89 OCH 0.9453
90 4FS 0.9452
91 GAB 0.9452
92 717 0.9450
93 264 0.9449
94 2AQ 0.9447
95 2MI 0.9447
96 RM1 0.9447
97 NYL 0.9445
98 PKU 0.9444
99 OVV 0.9444
100 PMB 0.9441
101 BE7 0.9435
102 4JT 0.9435
103 RSO 0.9431
104 BZ3 0.9428
105 3HB 0.9427
106 JAE 0.9424
107 L99 0.9421
108 Z82 0.9420
109 2BG 0.9418
110 F05 0.9418
111 TH7 0.9416
112 4FA 0.9414
113 3NT 0.9413
114 HL5 0.9401
115 270 0.9400
116 JZ5 0.9400
117 ASP 0.9398
118 1Y6 0.9396
119 5QY 0.9396
120 7N0 0.9395
121 1P8 0.9393
122 TP5 0.9392
123 HHH 0.9390
124 AL0 0.9388
125 DYA 0.9386
126 UGC 0.9385
127 GZL 0.9384
128 GRO 0.9384
129 RJY 0.9383
130 3OC 0.9381
131 WCE 0.9381
132 YRL 0.9381
133 MRZ 0.9379
134 SD4 0.9378
135 BE2 0.9376
136 KKN 0.9375
137 NMJ 0.9374
138 QDK 0.9373
139 KJU 0.9372
140 SAL 0.9371
141 NCT 0.9371
142 9RW 0.9370
143 HMH 0.9369
144 DHI 0.9368
145 PAC 0.9368
146 PRA 0.9366
147 P9P 0.9365
148 DHB 0.9364
149 IWT 0.9362
150 PRO 0.9361
151 49F 0.9359
152 6M9 0.9354
153 EHM 0.9353
154 MR1 0.9353
155 RMN 0.9350
156 HBA 0.9350
157 BRT 0.9349
158 IT2 0.9349
159 93K 0.9349
160 53C 0.9348
161 HIS 0.9346
162 INO 0.9344
163 N4B 0.9343
164 5HN 0.9342
165 826 0.9341
166 4JQ 0.9339
167 A29 0.9338
168 GOJ 0.9338
169 JZ7 0.9337
170 4CS 0.9334
171 ES7 0.9333
172 8GC 0.9329
173 PO6 0.9328
174 258 0.9328
175 4MA 0.9328
176 M58 0.9325
177 P92 0.9324
178 3PF 0.9324
179 ET2 0.9322
180 9TW 0.9321
181 KOJ 0.9321
182 4NC 0.9319
183 1PT 0.9319
184 SW7 0.9318
185 P72 0.9317
186 8ZE 0.9317
187 FB2 0.9317
188 HC4 0.9317
189 AEF 0.9316
190 DHR 0.9316
191 RBL 0.9313
192 14O 0.9312
193 ISN 0.9310
194 J9Q 0.9309
195 3U4 0.9309
196 F60 0.9308
197 11S 0.9306
198 5MI 0.9305
199 7VP 0.9305
200 FK8 0.9305
201 ES6 0.9303
202 5H1 0.9302
203 6M4 0.9302
204 2HO 0.9302
205 TLA 0.9300
206 7A8 0.9299
207 EDR 0.9298
208 N2I 0.9297
209 ASC 0.9297
210 ES2 0.9297
211 MYJ 0.9297
212 5WZ 0.9296
213 7W4 0.9296
214 5XC 0.9296
215 BNL 0.9295
216 JBN 0.9295
217 5MB 0.9294
218 3BZ 0.9294
219 NNO 0.9293
220 ES9 0.9293
221 SYN 0.9293
222 FUM 0.9293
223 SMV 0.9293
224 PBA 0.9291
225 2PC 0.9291
226 273 0.9291
227 LNR 0.9290
228 SIN 0.9286
229 RB5 0.9285
230 4A3 0.9285
231 AKG 0.9285
232 0P6 0.9282
233 14J 0.9280
234 FOA 0.9280
235 QMP 0.9279
236 HIO 0.9278
237 97T 0.9278
238 269 0.9276
239 3AB 0.9275
240 BCU 0.9275
241 XUL 0.9275
242 FK1 0.9275
243 BSX 0.9274
244 2LP 0.9274
245 AMC 0.9274
246 MUC 0.9272
247 4ZA 0.9272
248 VNJ 0.9271
249 3F0 0.9271
250 1DW 0.9271
251 URS 0.9267
252 2K4 0.9267
253 6AI 0.9267
254 GUA 0.9267
255 GVG 0.9266
256 92K 0.9266
257 JKE 0.9266
258 4YO 0.9266
259 FQI 0.9265
260 TZC 0.9265
261 3SK 0.9265
262 FHB 0.9264
263 HX4 0.9264
264 5OB 0.9263
265 FBB 0.9261
266 3ID 0.9261
267 2PG 0.9260
268 XYL 0.9260
269 VGD 0.9259
270 CXP 0.9258
271 K2T 0.9257
272 2CK 0.9256
273 0BP 0.9253
274 2FY 0.9253
275 3HA 0.9250
276 Q88 0.9249
277 7HQ 0.9248
278 4WL 0.9246
279 H4N 0.9245
280 XRG 0.9244
281 LEU 0.9243
282 SYV 0.9242
283 HCI 0.9240
284 3M0 0.9240
285 3Z8 0.9238
286 C21 0.9236
287 4VY 0.9235
288 261 0.9235
289 DBH 0.9235
290 HQJ 0.9234
291 5GU 0.9234
292 ODO 0.9233
293 PYC 0.9232
294 IDM 0.9232
295 271 0.9231
296 KUF 0.9231
297 4SV 0.9231
298 R9S 0.9231
299 AEG 0.9230
300 G3E 0.9230
301 F9Y 0.9229
302 23J 0.9228
303 XIZ 0.9228
304 PHE 0.9228
305 1P7 0.9228
306 HSM 0.9228
307 0RW 0.9228
308 N2Z 0.9225
309 L5V 0.9224
310 HYA 0.9220
311 J5I 0.9219
312 LDP 0.9219
313 TYL 0.9219
314 D48 0.9218
315 LT2 0.9218
316 263 0.9216
317 CHB 0.9216
318 2EC 0.9216
319 7WV 0.9213
320 APG 0.9212
321 1LQ 0.9212
322 LT1 0.9209
323 JZ4 0.9209
324 DMD 0.9208
325 SE2 0.9207
326 4VP 0.9207
327 4M0 0.9207
328 4HP 0.9206
329 SAF 0.9203
330 IHB 0.9203
331 QSB 0.9200
332 M45 0.9199
333 DOB 0.9199
334 DIN 0.9198
335 C1M 0.9197
336 S2G 0.9197
337 6FZ 0.9196
338 2D0 0.9196
339 ABN 0.9195
340 KTA 0.9194
341 TGX 0.9194
342 XX2 0.9192
343 QUZ 0.9191
344 FA0 0.9190
345 R20 0.9189
346 PRS 0.9188
347 36R 0.9188
348 DTL 0.9188
349 RBJ 0.9187
350 FP1 0.9187
351 GYE 0.9187
352 ICO 0.9187
353 RNS 0.9186
354 HPS 0.9186
355 DYT 0.9186
356 THE 0.9186
357 2AL 0.9186
358 ORO 0.9186
359 FOC 0.9185
360 CWS 0.9184
361 NPY 0.9183
362 HFA 0.9183
363 MQN 0.9180
364 174 0.9180
365 ASN 0.9180
366 TIH 0.9178
367 SRT 0.9178
368 CLW 0.9177
369 0HO 0.9177
370 GTQ 0.9177
371 6RQ 0.9176
372 3HM 0.9176
373 SVN 0.9176
374 MS9 0.9173
375 9EW 0.9173
376 7B4 0.9173
377 A7W 0.9172
378 OKG 0.9172
379 DOR 0.9170
380 BHA 0.9169
381 HBX 0.9168
382 5RN 0.9168
383 4HM 0.9168
384 PYJ 0.9168
385 5VM 0.9166
386 XQ0 0.9165
387 4JM 0.9164
388 TZE 0.9164
389 CPZ 0.9163
390 B24 0.9163
391 CWM 0.9162
392 7WG 0.9160
393 1L5 0.9159
394 YZM 0.9157
395 JLZ 0.9157
396 8H8 0.9156
397 4PN 0.9155
398 5NU 0.9154
399 GAG 0.9154
400 BGC 0.9154
401 GLY GLY 0.9153
402 CTL 0.9153
403 1P3 0.9153
404 SYC 0.9153
405 F4E 0.9152
406 PBN 0.9152
407 ES0 0.9151
408 URP 0.9150
409 1A7 0.9150
410 MET 0.9150
411 XLS 0.9148
412 0HN 0.9148
413 JFJ 0.9147
414 SNU 0.9146
415 SJ5 0.9146
416 0TU 0.9145
417 MRW 0.9143
418 265 0.9143
419 2HQ 0.9143
420 B40 0.9143
421 40E 0.9143
422 R67 0.9142
423 SAN 0.9142
424 FPI 0.9142
425 8NY 0.9141
426 5RG 0.9141
427 KDV 0.9140
428 5B1 0.9140
429 8WT 0.9139
430 JF6 0.9139
431 8CM 0.9138
432 3LR 0.9138
433 FCR 0.9137
434 52C 0.9136
435 SKA 0.9136
436 3SL 0.9135
437 PNZ 0.9135
438 0JD 0.9134
439 2HG 0.9131
440 TT4 0.9131
441 I4B 0.9130
442 GDE 0.9130
443 AHR 0.9129
444 C2B 0.9128
445 2FT 0.9127
446 B85 0.9127
447 FBA 0.9126
448 PEP 0.9123
449 OHP 0.9122
450 5M0 0.9122
451 MSR 0.9118
452 TSU 0.9116
453 OGA 0.9116
454 URO 0.9115
455 DHK 0.9115
456 54G 0.9115
457 TIU 0.9114
458 51R 0.9114
459 JBE 0.9113
460 ROR 0.9111
461 5CU 0.9111
462 4XR 0.9111
463 ANN 0.9110
464 6TZ 0.9110
465 86J 0.9109
466 MWP 0.9109
467 0W8 0.9107
468 APY 0.9107
469 A09 0.9106
470 1WD 0.9105
471 HLR 0.9104
472 EOU 0.9103
473 PMF 0.9101
474 BZ2 0.9101
475 GLC 0.9101
476 FBS 0.9100
477 HX3 0.9100
478 HX2 0.9100
479 60P 0.9099
480 PRY 0.9098
481 FBW 0.9098
482 TZF 0.9098
483 IPB 0.9098
484 9TZ 0.9097
485 AMH 0.9096
486 CN0 0.9096
487 GLY ALA 0.9095
488 OW4 0.9094
489 ESP 0.9093
490 PCA 0.9093
491 GLU 0.9093
492 AHB 0.9092
493 1F1 0.9091
494 IP0 0.9091
495 DHY 0.9090
496 36Y 0.9089
497 LZM 0.9089
498 4JL 0.9084
499 2ZM 0.9083
500 6NT 0.9083
501 2F6 0.9082
502 9FL 0.9082
503 FB1 0.9081
504 9ON 0.9080
505 1DU 0.9080
506 15E 0.9079
507 COI 0.9078
508 YPN 0.9078
509 GBD 0.9077
510 G3P 0.9077
511 TTL 0.9077
512 6CS 0.9077
513 42A 0.9072
514 3NY 0.9071
515 IV2 0.9070
516 ABI 0.9070
517 PYF 0.9070
518 JBK 0.9069
519 D1X 0.9069
520 AOT 0.9069
521 8WO 0.9068
522 K7M 0.9067
523 DS0 0.9066
524 AW5 0.9065
525 M1E 0.9065
526 AMS 0.9063
527 AAS 0.9063
528 R9Y 0.9063
529 S8V 0.9062
530 2RH 0.9062
531 OVM 0.9062
532 6NI 0.9062
533 PPR 0.9061
534 B3U 0.9061
535 282 0.9061
536 OXC 0.9061
537 FE DB1 0.9060
538 5QX 0.9060
539 9R5 0.9059
540 LYL 0.9058
541 UY7 0.9057
542 DEE 0.9057
543 S2P 0.9057
544 3A9 0.9057
545 DHS 0.9057
546 FYU 0.9056
547 4J8 0.9056
548 FUD 0.9055
549 TSS 0.9055
550 NOJ 0.9055
551 IND 0.9054
552 T2C 0.9054
553 4HC 0.9051
554 PY7 0.9050
555 RUY 0.9050
556 HQT 0.9050
557 2CO 0.9049
558 7BC 0.9047
559 BZI 0.9047
560 3QM 0.9047
561 EUG 0.9047
562 LZ1 0.9046
563 GLN 0.9044
564 HDA 0.9044
565 J6W 0.9043
566 1SA 0.9041
567 1LN 0.9040
568 5NI 0.9037
569 JA8 0.9037
570 2HU 0.9037
571 RNT 0.9037
572 ORN 0.9036
573 TEO 0.9035
574 MAE 0.9035
575 4AA 0.9033
576 DEN 0.9032
577 0LH 0.9032
578 DBX 0.9032
579 N8Y 0.9031
580 2CQ 0.9031
581 CH9 0.9030
582 7VS 0.9030
583 P7Y 0.9029
584 KJH 0.9028
585 TAG 0.9028
586 TAR 0.9028
587 URC 0.9028
588 MPV 0.9026
589 IZC 0.9026
590 MED 0.9025
591 NSP 0.9025
592 MPI 0.9024
593 A5E 0.9023
594 IXW 0.9022
595 PPY 0.9022
596 ONL 0.9021
597 BDP 0.9021
598 NLE 0.9020
599 H4E 0.9020
600 TFB 0.9020
601 ADZ 0.9020
602 SHI 0.9018
603 42J 0.9018
604 94W 0.9018
605 DGL 0.9017
606 SKM 0.9017
607 3MB 0.9016
608 ICB 0.9016
609 HHA 0.9015
610 JZ9 0.9014
611 9CL 0.9014
612 2IT 0.9013
613 KT7 0.9013
614 FA1 0.9013
615 M2K 0.9011
616 URQ 0.9010
617 34D 0.9010
618 SPV 0.9009
619 M0W 0.9009
620 0R1 0.9008
621 3IT 0.9008
622 4LW 0.9008
623 E5X 0.9007
624 5RO 0.9007
625 SC2 0.9007
626 DAS 0.9003
627 RAT 0.9003
628 NDH 0.9003
629 LXC 0.9003
630 3HP 0.9002
631 R2P 0.9000
632 7W1 0.9000
633 HL4 0.9000
634 XCZ 0.8999
635 BPW 0.8999
636 EKZ 0.8999
637 IFP 0.8998
638 ALA ALA 0.8998
639 TH0 0.8998
640 HY3 0.8996
641 FBV 0.8996
642 X0V 0.8995
643 24W 0.8995
644 3HG 0.8994
645 XYP 0.8994
646 PXL 0.8993
647 QWN 0.8990
648 1MR 0.8990
649 DQU 0.8990
650 3PG 0.8987
651 1DV 0.8986
652 9CA 0.8986
653 3C4 0.8986
654 IHG 0.8985
655 SHF 0.8984
656 4JP 0.8984
657 4MV 0.8982
658 AJV 0.8981
659 JYD 0.8981
660 5XB 0.8980
661 DPN 0.8979
662 EA1 0.8978
663 DGN 0.8978
664 GGL 0.8978
665 4NM 0.8978
666 SWA 0.8978
667 AOS 0.8977
668 ESX 0.8977
669 13P 0.8976
670 HMU 0.8975
671 GLL 0.8975
672 1SQ 0.8975
673 PRF 0.8975
674 KMT 0.8974
675 5MK 0.8974
676 H8N 0.8973
677 URF 0.8973
678 DRL 0.8973
679 GCS 0.8973
680 DAL DAL 0.8972
681 V55 0.8972
682 5AC 0.8972
683 24B 0.8972
684 L22 0.8971
685 BZF 0.8971
686 IFL 0.8971
687 HF2 0.8970
688 SRO 0.8970
689 69O 0.8967
690 SSB 0.8967
691 QSH 0.8967
692 MZG 0.8966
693 4FH 0.8965
694 EV0 0.8964
695 12Q 0.8963
696 MCT 0.8963
697 CWJ 0.8962
698 EN1 0.8961
699 GAL 0.8960
700 E35 0.8959
701 SDD 0.8959
702 1IT 0.8958
703 BEA 0.8958
704 PPT 0.8958
705 0CT 0.8958
706 SYM 0.8958
707 HPA 0.8958
708 LYS 0.8956
709 15N 0.8956
710 Q02 0.8956
711 HH5 0.8955
712 ZXD 0.8954
713 5JC 0.8954
714 G3F 0.8954
715 BPN 0.8953
716 JAB 0.8953
717 4Z4 0.8953
718 8TX 0.8952
719 4ZC 0.8952
720 0OC 0.8951
721 OXQ 0.8950
722 LFC 0.8950
723 1WG 0.8950
724 M0Q 0.8950
725 HYP 0.8949
726 HSE 0.8947
727 RSF 0.8947
728 VKC 0.8944
729 51F 0.8944
730 2A9 0.8943
731 23W 0.8942
732 4V2 0.8941
733 M5K 0.8941
734 QXW 0.8940
735 M1A 0.8940
736 RHU 0.8940
737 GVH 0.8939
738 MZW 0.8939
739 AJ2 0.8938
740 4XV 0.8938
741 E7Z 0.8938
742 MEQ 0.8938
743 67N 0.8937
744 9YL 0.8936
745 5SG 0.8934
746 E1T 0.8934
747 3DO 0.8934
748 4HO 0.8934
749 F31 0.8932
750 WBU 0.8932
751 AX3 0.8931
752 259 0.8930
753 N3W 0.8928
754 NFM 0.8928
755 R8V 0.8926
756 PZM 0.8925
757 PEQ 0.8925
758 1DQ 0.8925
759 XDE 0.8924
760 ALE 0.8924
761 PGH 0.8924
762 JZ3 0.8924
763 T9G 0.8924
764 9X7 0.8923
765 4SD 0.8923
766 4SX 0.8922
767 1NP 0.8922
768 Q03 0.8921
769 6M1 0.8921
770 MEW 0.8921
771 5IQ 0.8920
772 B09 0.8920
773 B62 0.8920
774 K5W 0.8919
775 4YS 0.8918
776 LPK 0.8918
777 SVD 0.8917
778 SPA 0.8917
779 MWM 0.8917
780 JDN 0.8915
781 PH3 0.8915
782 DIR 0.8914
783 ES1 0.8914
784 1GP 0.8913
785 BHH 0.8912
786 MWJ 0.8912
787 R8A 0.8912
788 4BZ 0.8911
789 N5J 0.8910
790 2AS 0.8910
791 PJW 0.8908
792 JB8 0.8908
793 E7S 0.8908
794 1MC 0.8908
795 Q24 0.8908
796 IFM 0.8907
797 4M4 0.8906
798 SX1 0.8905
799 293 0.8905
800 150 0.8905
801 VXX 0.8903
802 SLS 0.8900
803 JRB 0.8900
804 3FH 0.8900
805 TC7 0.8900
806 G4D 0.8898
807 0R0 0.8898
808 61M 0.8897
809 6ME 0.8897
810 9ZE 0.8896
811 XBZ 0.8896
812 0F9 0.8896
813 3AL 0.8895
814 ADE 0.8895
815 AS3 0.8894
816 OHG 0.8894
817 1WC 0.8893
818 4JJ 0.8891
819 44W 0.8891
820 HQD 0.8891
821 6F0 0.8891
822 3DM 0.8891
823 4TU 0.8890
824 CRN 0.8889
825 KJY 0.8888
826 GRE 0.8888
827 ESI 0.8887
828 2HC 0.8886
829 5Q0 0.8884
830 2YU 0.8884
831 9RH 0.8883
832 LYN 0.8883
833 GZ3 0.8883
834 7C3 0.8881
835 SN4 0.8881
836 HQY 0.8880
837 F4Z 0.8880
838 4ZE 0.8879
839 GWM 0.8878
840 JAW 0.8878
841 BP9 0.8877
842 AZ8 0.8877
843 DGJ 0.8875
844 44V 0.8875
845 HNL 0.8874
846 HNK 0.8874
847 6GU 0.8874
848 LCN 0.8874
849 JPZ 0.8873
850 ZZT 0.8872
851 M1H 0.8872
852 ITN 0.8870
853 4XS 0.8870
854 G3H 0.8870
855 WOT 0.8870
856 O72 0.8870
857 FA3 0.8870
858 4XH 0.8868
859 XAZ 0.8866
860 4P0 0.8865
861 82I 0.8865
862 TTY 0.8865
863 1XA 0.8863
864 ONR 0.8862
865 27Y 0.8862
866 GXY 0.8860
867 TCA 0.8860
868 5MH 0.8860
869 6VD 0.8860
870 BZJ 0.8860
871 LDU 0.8859
872 HHI 0.8859
873 VNL 0.8859
874 B57 0.8859
875 TYE 0.8858
876 RIB 0.8858
877 4CL 0.8858
878 4MU 0.8857
879 SOR 0.8857
880 C2A 0.8855
881 XDK 0.8854
882 3BU 0.8854
883 PLU 0.8854
884 0FO 0.8853
885 GLO 0.8852
886 QUS 0.8852
887 8K2 0.8851
888 HCS 0.8850
889 F0J 0.8850
890 1BN 0.8849
891 IF7 0.8849
892 8S0 0.8849
893 KTW 0.8848
894 275 0.8847
895 3XX 0.8847
896 TDR 0.8846
897 PD2 0.8846
898 BTY 0.8844
899 ASO 0.8844
900 H95 0.8844
901 XAN 0.8844
902 MO8 0.8843
903 JBH 0.8842
904 36M 0.8840
905 92G 0.8840
906 SEP 0.8840
907 0V5 0.8839
908 NBE 0.8839
909 I3E 0.8839
910 HT4 0.8838
911 MUA 0.8837
912 SOE 0.8836
913 ILE 0.8835
914 8GL 0.8835
915 ZGL 0.8835
916 BR9 0.8834
917 HA5 0.8834
918 7HP 0.8834
919 B2J 0.8833
920 NOY 0.8833
921 2AC 0.8832
922 MRY 0.8832
923 MTL 0.8831
924 2CL 0.8831
925 HNH 0.8831
926 8U3 0.8830
927 I38 0.8830
928 OVP 0.8830
929 PGA 0.8829
930 Z5P 0.8829
931 75K 0.8828
932 NK 0.8828
933 QIC 0.8827
934 ICF 0.8827
935 KTJ 0.8827
936 EOL 0.8826
937 CMS 0.8825
938 XYD 0.8824
939 G2F 0.8823
940 3R6 0.8823
941 DCL 0.8822
942 4XF 0.8822
943 4ME 0.8822
944 GCU 0.8821
945 5JQ 0.8821
946 K6V 0.8818
947 286 0.8817
948 IOM 0.8817
949 AHN 0.8815
950 EQT 0.8815
951 JZ2 0.8814
952 DQY 0.8814
953 AQO 0.8814
954 HH8 0.8814
955 GZQ 0.8812
956 WOO 0.8811
957 DFB 0.8811
958 OTW 0.8810
959 KMH 0.8810
960 9DG 0.8809
961 SOL 0.8808
962 SR1 0.8808
963 92P 0.8807
964 23A 0.8806
965 34A 0.8805
966 P58 0.8805
967 GBN 0.8805
968 A1U 0.8805
969 DNF 0.8804
970 FPY 0.8804
971 2LY 0.8803
972 HGA 0.8803
973 AZF 0.8801
974 GP9 0.8800
975 45C 0.8800
976 MAH 0.8799
977 H7Y 0.8799
978 2MP 0.8799
979 QBM 0.8799
980 ADA 0.8798
981 GIF 0.8797
982 TM7 0.8797
983 1LM 0.8797
984 KIV 0.8797
985 43M 0.8796
986 TYR 0.8795
987 FGZ 0.8793
988 3YP 0.8792
989 YH7 0.8790
990 C2Y 0.8789
991 IDH 0.8789
992 2MH 0.8789
993 B55 0.8788
994 0N7 0.8787
995 A13 0.8786
996 R8S 0.8785
997 R2B 0.8782
998 OXZ 0.8780
999 5JL 0.8779
1000 449 0.8779
1001 UFV 0.8777
1002 6AP 0.8776
1003 Y8I 0.8776
1004 EGR 0.8775
1005 XHP 0.8775
1006 8W9 0.8775
1007 A9P 0.8775
1008 O2A 0.8774
1009 BTE 0.8773
1010 795 0.8771
1011 LTL 0.8770
1012 CCU 0.8770
1013 SME 0.8769
1014 PYD 0.8769
1015 IJZ 0.8769
1016 IAC 0.8769
1017 NXA 0.8766
1018 VOH 0.8765
1019 7MX 0.8765
1020 PDC 0.8765
1021 2FQ 0.8764
1022 36E 0.8764
1023 DBJ 0.8764
1024 JZ1 0.8763
1025 P3K 0.8762
1026 3OL 0.8761
1027 DMJ 0.8761
1028 DIU 0.8761
1029 C2U 0.8761
1030 MZT 0.8760
1031 PE0 0.8760
1032 XQG 0.8759
1033 Q6T 0.8759
1034 KDG 0.8758
1035 MLA 0.8758
1036 AGK 0.8756
1037 1AB 0.8755
1038 S24 0.8755
1039 0CU 0.8754
1040 J1Z 0.8754
1041 ICP 0.8754
1042 BVC 0.8754
1043 OMD 0.8754
1044 L3Q 0.8753
1045 32X 0.8753
1046 GTR 0.8753
1047 AKH 0.8753
1048 MVN 0.8752
1049 AZ9 0.8752
1050 BPY 0.8750
1051 F12 0.8750
1052 5UC 0.8750
1053 7CZ 0.8750
1054 AEH 0.8748
1055 CTS 0.8747
1056 2AK 0.8746
1057 S76 0.8745
1058 GUN 0.8745
1059 PSJ 0.8744
1060 0TR 0.8744
1061 UNJ 0.8743
1062 BML 0.8743
1063 1SH 0.8742
1064 10L 0.8742
1065 X1S 0.8741
1066 PAH 0.8741
1067 5LA 0.8740
1068 FBU 0.8740
1069 APZ 0.8739
1070 AZA 0.8739
1071 FOT 0.8738
1072 KBG 0.8737
1073 AFR 0.8736
1074 GCO 0.8736
1075 LGC 0.8735
1076 DX4 0.8734
1077 2H5 0.8733
1078 7ME 0.8732
1079 MEV 0.8730
1080 KBB 0.8730
1081 KP6 0.8727
1082 F81 0.8727
1083 EYK 0.8726
1084 9FE 0.8726
1085 CSS 0.8726
1086 PH2 0.8725
1087 MNM 0.8723
1088 JG8 0.8723
1089 428 0.8722
1090 2BX 0.8721
1091 HJP 0.8720
1092 8IG 0.8719
1093 MAK 0.8718
1094 3ZB 0.8717
1095 FDB 0.8716
1096 42C 0.8714
1097 ZYR 0.8714
1098 SYG 0.8712
1099 2XX 0.8710
1100 TLD 0.8710
1101 MLI 0.8710
1102 DTU 0.8710
1103 6MP 0.8708
1104 P2D 0.8708
1105 FSG 0.8706
1106 HLZ 0.8705
1107 0NX 0.8704
1108 4BY 0.8704
1109 2A7 0.8702
1110 BDF 0.8702
1111 41K 0.8701
1112 CFA 0.8700
1113 FHC 0.8700
1114 HHR 0.8700
1115 N6C 0.8698
1116 ABE 0.8697
1117 0W1 0.8697
1118 M4E 0.8696
1119 MJ2 0.8695
1120 4BL 0.8694
1121 129 0.8694
1122 K97 0.8694
1123 1XM 0.8694
1124 5VL 0.8693
1125 GLA 0.8692
1126 GLY PRO 0.8691
1127 SXS 0.8688
1128 FDR 0.8687
1129 CFP 0.8686
1130 BP1 0.8686
1131 KYD 0.8686
1132 L13 0.8686
1133 XXP 0.8685
1134 CS2 0.8684
1135 DHC 0.8683
1136 6KT 0.8682
1137 4JO 0.8682
1138 ABU 0.8680
1139 BOA 0.8680
1140 9DA 0.8677
1141 FBT 0.8676
1142 LLQ 0.8672
1143 0FN 0.8670
1144 152 0.8669
1145 NVU 0.8669
1146 LEA 0.8669
1147 A2F 0.8669
1148 M4S 0.8668
1149 0FK 0.8668
1150 7WA 0.8668
1151 P4B 0.8667
1152 OW7 0.8666
1153 IUR 0.8666
1154 MES 0.8665
1155 R1X 0.8664
1156 GAF 0.8663
1157 GIV 0.8663
1158 GCB 0.8661
1159 RNO 0.8659
1160 1U6 0.8659
1161 AAE 0.8658
1162 149 0.8656
1163 9SE 0.8656
1164 8HC 0.8653
1165 FRU 0.8651
1166 141 0.8650
1167 A3M 0.8650
1168 IGA 0.8650
1169 SNE 0.8647
1170 1KP 0.8644
1171 ZZ3 0.8643
1172 290 0.8643
1173 ALL 0.8642
1174 39O 0.8642
1175 GXL 0.8642
1176 SNO 0.8640
1177 XXG 0.8637
1178 PRZ 0.8637
1179 7Q1 0.8636
1180 2TQ 0.8634
1181 7NI 0.8634
1182 ES4 0.8634
1183 BMA 0.8634
1184 15L 0.8631
1185 AZG 0.8629
1186 2ZV 0.8627
1187 B53 0.8627
1188 LQ2 0.8626
1189 APS 0.8625
1190 BZE 0.8624
1191 UNC 0.8624
1192 SHG 0.8621
1193 M1Z 0.8620
1194 EVA 0.8620
1195 2FG 0.8619
1196 12T 0.8617
1197 56D 0.8616
1198 NVI 0.8616
1199 9HX 0.8614
1200 1Z6 0.8614
1201 5WY 0.8614
1202 4JC 0.8612
1203 4NB 0.8611
1204 DIE 0.8611
1205 PBE 0.8611
1206 CLT 0.8610
1207 UFO 0.8608
1208 6ZX 0.8606
1209 091 0.8605
1210 C5J 0.8601
1211 ARB 0.8601
1212 QX4 0.8600
1213 MSE 0.8597
1214 AG2 0.8597
1215 PM6 0.8595
1216 MAN 0.8590
1217 3QV 0.8589
1218 XX3 0.8588
1219 MAQ 0.8586
1220 X6X 0.8578
1221 AN3 0.8575
1222 MAJ 0.8574
1223 PXY 0.8570
1224 PCR 0.8569
1225 DFU 0.8565
1226 95Z 0.8560
1227 J0Z 0.8560
1228 PLQ 0.8559
1229 HQ9 0.8556
1230 PG0 0.8554
1231 QX2 0.8554
1232 P80 0.8554
1233 X0U 0.8551
1234 DA4 0.8547
1235 OA3 0.8545
1236 UAN 0.8542
1237 EMZ 0.8539
1238 HQE 0.8533
1239 EVF 0.8532
1240 ENO 0.8524
1241 NID 0.8521
1242 495 0.8519
1243 FPN 0.8510
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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