Receptor
PDB id Resolution Class Description Source Keywords
6CSS 1.7 Å EC: 3.5.1.98 CRYSTAL STRUCTURE OF DANIO RERIO HISTONE DEACETYLASE 6 CATAL DOMAIN 2 IN COMPLEX WITH CYCLOPENTENYLHYDROXAMATE 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;
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+]
EDO A:805;
A:809;
B:806;
A:808;
A:806;
A:807;
B:805;
B:807;
A:810;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FBJ B:804;
A:804;
Valid;
Valid;
none;
none;
Kd = 25 nM
127.141 C6 H9 N O2 C1CC=...
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: FBJ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FBJ 1 1
2 FBM 0.8 0.9375
Similar Ligands (3D)
Ligand no: 1; Ligand: FBJ; Similar ligands found: 672
No: Ligand Similarity coefficient
1 ISZ 0.9865
2 BHO 0.9833
3 M6W 0.9811
4 ZBT 0.9765
5 TZL 0.9765
6 F9P 0.9755
7 I1E 0.9733
8 FEH 0.9732
9 NIZ 0.9698
10 XBT 0.9660
11 PYC 0.9653
12 BAM 0.9645
13 BEN 0.9645
14 8OZ 0.9635
15 JZ5 0.9634
16 CXF 0.9633
17 TZC 0.9618
18 BEZ 0.9616
19 CFI 0.9608
20 MNN 0.9598
21 6PC 0.9594
22 MXN 0.9590
23 NCA 0.9588
24 54D 0.9583
25 NIO 0.9582
26 OAA 0.9573
27 1DJ 0.9564
28 HDA 0.9562
29 PRO 0.9558
30 PZA 0.9557
31 NBZ 0.9557
32 PBC 0.9542
33 SIN 0.9541
34 GOJ 0.9537
35 PKU 0.9537
36 14J 0.9535
37 HSO 0.9524
38 FAN 0.9524
39 2PC 0.9524
40 UNU 0.9522
41 TP5 0.9519
42 HSM 0.9513
43 49F 0.9510
44 NYL 0.9509
45 PEL 0.9501
46 JBN 0.9500
47 TPA 0.9499
48 FQI 0.9496
49 FOA 0.9494
50 CEE 0.9494
51 MLT 0.9479
52 VGL 0.9467
53 NTN 0.9459
54 GJZ 0.9457
55 173 0.9439
56 MLA 0.9436
57 M58 0.9426
58 XRG 0.9416
59 FUM 0.9415
60 7MU 0.9414
61 GLY ALA 0.9407
62 AMC 0.9397
63 PEA 0.9382
64 MLI 0.9377
65 BZX 0.9376
66 YCP 0.9372
67 HL5 0.9369
68 264 0.9368
69 268 0.9368
70 HY1 0.9367
71 RJY 0.9364
72 RSO 0.9364
73 ASP 0.9363
74 SMV 0.9361
75 XUL 0.9357
76 J9T 0.9356
77 MAE 0.9352
78 DE5 0.9351
79 BNS 0.9347
80 C5J 0.9347
81 SS2 0.9343
82 TFB 0.9338
83 HBA 0.9334
84 717 0.9330
85 I3A 0.9329
86 IT2 0.9327
87 AAE 0.9321
88 JZ7 0.9319
89 NPO 0.9318
90 HDH 0.9317
91 SYN 0.9317
92 DAV 0.9313
93 QSC 0.9311
94 9RW 0.9305
95 PCA 0.9305
96 PHB 0.9304
97 HSE 0.9301
98 SMN 0.9301
99 4VP 0.9299
100 GLY GLY 0.9295
101 IHG 0.9293
102 RMN 0.9290
103 VKC 0.9289
104 LMR 0.9286
105 MRY 0.9286
106 273 0.9285
107 IDM 0.9282
108 C21 0.9282
109 98J 0.9282
110 258 0.9277
111 ABN 0.9276
112 OKG 0.9274
113 BNF 0.9272
114 SS1 0.9272
115 1DQ 0.9272
116 QY9 0.9271
117 GAG 0.9269
118 PAB 0.9268
119 1DU 0.9267
120 PMB 0.9266
121 AL0 0.9265
122 1DV 0.9263
123 PAC 0.9262
124 271 0.9260
125 EHM 0.9258
126 GBD 0.9255
127 HBX 0.9254
128 AC0 0.9254
129 TH7 0.9253
130 SD4 0.9249
131 OK7 0.9248
132 OHG 0.9248
133 QDK 0.9247
134 6NA 0.9244
135 2CO 0.9241
136 3NT 0.9237
137 BZ3 0.9237
138 ASN 0.9237
139 OTR 0.9237
140 XM0 0.9233
141 PZI 0.9230
142 5FX 0.9229
143 SHA 0.9226
144 HYP 0.9223
145 T2C 0.9222
146 FPI 0.9222
147 4FA 0.9219
148 RB5 0.9218
149 XYL 0.9218
150 PRA 0.9215
151 K34 0.9215
152 7WG 0.9215
153 PBZ 0.9213
154 P2D 0.9210
155 DYA 0.9205
156 RM1 0.9202
157 HMH 0.9202
158 PRS 0.9201
159 GUA 0.9199
160 PYJ 0.9196
161 5OB 0.9196
162 S8V 0.9195
163 AKG 0.9195
164 PHU 0.9195
165 YRL 0.9185
166 J9N 0.9184
167 3LR 0.9180
168 ORN 0.9179
169 1PT 0.9174
170 UGC 0.9173
171 A09 0.9172
172 IZC 0.9171
173 GRO 0.9169
174 Z82 0.9169
175 OGA 0.9168
176 SHF 0.9168
177 FB2 0.9166
178 069 0.9163
179 BVC 0.9161
180 6M4 0.9161
181 3OC 0.9159
182 N4B 0.9156
183 XIY 0.9153
184 OXQ 0.9152
185 45L 0.9151
186 9X7 0.9149
187 SRT 0.9147
188 23W 0.9142
189 AEF 0.9142
190 MZW 0.9141
191 TZE 0.9139
192 HBD 0.9139
193 KMT 0.9137
194 XIZ 0.9137
195 KIV 0.9135
196 KOJ 0.9130
197 DTL 0.9129
198 HCI 0.9128
199 URP 0.9125
200 JYD 0.9125
201 60P 0.9122
202 G3P 0.9122
203 LT1 0.9121
204 1Y6 0.9121
205 XLS 0.9118
206 APG 0.9115
207 TLA 0.9114
208 PAH 0.9113
209 282 0.9112
210 M4T 0.9110
211 NMG 0.9106
212 MED 0.9105
213 TEO 0.9103
214 NVI 0.9099
215 GLU 0.9098
216 2RH 0.9097
217 SAL 0.9097
218 LER 0.9096
219 CMS 0.9095
220 BE2 0.9095
221 NXA 0.9095
222 HX2 0.9095
223 40E 0.9092
224 MAK 0.9091
225 53C 0.9090
226 GAB 0.9090
227 I4B 0.9089
228 LEU 0.9087
229 1WD 0.9087
230 VNJ 0.9085
231 2HG 0.9084
232 4MV 0.9083
233 IXW 0.9083
234 UY7 0.9082
235 HIS 0.9080
236 PEP 0.9079
237 4P5 0.9077
238 BVG 0.9073
239 1P8 0.9073
240 PIY 0.9072
241 4CS 0.9072
242 9CL 0.9068
243 MUC 0.9066
244 DGL 0.9065
245 TAR 0.9065
246 2IT 0.9063
247 5XC 0.9063
248 8H8 0.9063
249 URS 0.9062
250 7N0 0.9062
251 HVQ 0.9062
252 B24 0.9061
253 13P 0.9055
254 2FT 0.9054
255 APY 0.9054
256 ES6 0.9054
257 1MR 0.9051
258 OVV 0.9051
259 LEA 0.9051
260 9YL 0.9050
261 BSX 0.9047
262 NCT 0.9047
263 265 0.9046
264 JAE 0.9044
265 RBJ 0.9042
266 MEV 0.9041
267 WCE 0.9041
268 2CK 0.9041
269 ABU 0.9039
270 AC6 0.9039
271 51F 0.9038
272 HYA 0.9037
273 MRZ 0.9034
274 FBA 0.9026
275 DCL 0.9025
276 DTU 0.9025
277 PAE 0.9025
278 NLE 0.9023
279 DGN 0.9022
280 DAL DAL 0.9022
281 7C3 0.9022
282 PIM 0.9020
283 GLL 0.9020
284 BP9 0.9019
285 2LP 0.9018
286 1M2 0.9017
287 S0H 0.9017
288 FOC 0.9016
289 7WV 0.9013
290 4MA 0.9012
291 EOU 0.9010
292 5AC 0.9010
293 3AB 0.9010
294 4SD 0.9009
295 ROR 0.9009
296 RBL 0.9006
297 ICF 0.9006
298 BHH 0.9004
299 DAS 0.9003
300 MZ0 0.9000
301 DHI 0.9000
302 GLN 0.8999
303 H95 0.8997
304 3HB 0.8996
305 ABV 0.8996
306 F60 0.8995
307 SYV 0.8995
308 PGA 0.8994
309 IPU 0.8994
310 SSB 0.8993
311 GVG 0.8989
312 AHR 0.8987
313 M3H 0.8986
314 PGH 0.8986
315 HY3 0.8986
316 MET 0.8985
317 PG3 0.8984
318 BCU 0.8984
319 S2G 0.8983
320 ES2 0.8982
321 AX7 0.8981
322 RNS 0.8979
323 CP 0.8978
324 INO 0.8977
325 3SL 0.8976
326 C2B 0.8976
327 5MI 0.8973
328 9X6 0.8972
329 5H1 0.8971
330 G3H 0.8970
331 1SA 0.8970
332 14O 0.8969
333 261 0.8969
334 FYU 0.8969
335 PY7 0.8968
336 2AS 0.8967
337 4JL 0.8967
338 PO6 0.8966
339 6AI 0.8965
340 0VT 0.8965
341 JZ4 0.8965
342 4JT 0.8963
343 FK8 0.8962
344 A29 0.8962
345 THE 0.8961
346 MLM 0.8961
347 2EZ 0.8958
348 JAB 0.8958
349 2K4 0.8957
350 23J 0.8957
351 B40 0.8953
352 BE7 0.8952
353 IQ0 0.8951
354 11S 0.8951
355 AEG 0.8947
356 JF6 0.8947
357 SYM 0.8946
358 7VD 0.8945
359 HIO 0.8944
360 92K 0.8944
361 IVA 0.8944
362 BNL 0.8942
363 P9P 0.8941
364 DQY 0.8940
365 GGL 0.8938
366 ALA ALA 0.8936
367 B85 0.8935
368 1LN 0.8935
369 SYC 0.8934
370 5MB 0.8933
371 TYL 0.8933
372 R67 0.8932
373 4HP 0.8931
374 FK1 0.8927
375 PMF 0.8925
376 9ON 0.8925
377 SPA 0.8923
378 DHB 0.8923
379 LDP 0.8923
380 ES9 0.8923
381 PHE 0.8923
382 ZZT 0.8922
383 PG0 0.8921
384 2MI 0.8921
385 PYF 0.8920
386 N6C 0.8920
387 PBA 0.8920
388 Q02 0.8920
389 LYS 0.8919
390 P72 0.8918
391 H4N 0.8917
392 SSN 0.8916
393 1SP 0.8914
394 CYS 0.8913
395 4NC 0.8913
396 1L5 0.8913
397 MR1 0.8910
398 5WZ 0.8910
399 2BG 0.8910
400 COI 0.8909
401 PRY 0.8908
402 YPN 0.8905
403 4JM 0.8903
404 URQ 0.8900
405 PBN 0.8900
406 GZL 0.8900
407 263 0.8900
408 5WV 0.8898
409 93K 0.8897
410 ITN 0.8896
411 6M9 0.8896
412 JZ9 0.8893
413 ILE 0.8892
414 HHH 0.8890
415 SAN 0.8890
416 MPD 0.8890
417 270 0.8889
418 1GP 0.8886
419 COU 0.8886
420 KMH 0.8886
421 FCR 0.8885
422 QMP 0.8885
423 R9M 0.8885
424 DEN 0.8883
425 LDU 0.8882
426 3BZ 0.8882
427 SC2 0.8881
428 03V 0.8880
429 TIH 0.8879
430 ACA 0.8879
431 9TW 0.8877
432 GP9 0.8877
433 LNR 0.8877
434 ES5 0.8877
435 R9S 0.8876
436 LLQ 0.8875
437 4JQ 0.8875
438 OCH 0.8874
439 69O 0.8874
440 HCS 0.8873
441 NF3 0.8872
442 9J3 0.8872
443 KJU 0.8871
444 IWT 0.8871
445 DHR 0.8871
446 FP1 0.8870
447 0OC 0.8870
448 PPR 0.8867
449 51R 0.8867
450 2ZM 0.8867
451 H42 0.8866
452 TSU 0.8865
453 LNO 0.8864
454 JB5 0.8864
455 4FS 0.8863
456 7VP 0.8863
457 ET2 0.8860
458 4XR 0.8858
459 L99 0.8858
460 CRN 0.8857
461 2AQ 0.8856
462 P92 0.8855
463 6NT 0.8853
464 3HL 0.8853
465 2F6 0.8848
466 7BC 0.8846
467 1SH 0.8846
468 5GU 0.8845
469 2AL 0.8845
470 3OL 0.8845
471 4VY 0.8844
472 ASC 0.8843
473 8NY 0.8839
474 0HO 0.8838
475 ONL 0.8836
476 SPV 0.8835
477 DHS 0.8835
478 HMU 0.8834
479 RHU 0.8834
480 MYJ 0.8833
481 XX2 0.8833
482 DS0 0.8833
483 1P3 0.8833
484 FBB 0.8832
485 JFJ 0.8831
486 F9Y 0.8828
487 52C 0.8826
488 FA1 0.8826
489 PPY 0.8824
490 ACH 0.8824
491 PNZ 0.8823
492 OVM 0.8823
493 J9Q 0.8823
494 K6V 0.8821
495 AHN 0.8820
496 DBH 0.8817
497 K2T 0.8815
498 AHB 0.8813
499 G2H 0.8813
500 RNT 0.8813
501 IOM 0.8812
502 TB6 0.8809
503 ICB 0.8808
504 ABI 0.8808
505 BZF 0.8807
506 CLW 0.8807
507 IND 0.8806
508 C2A 0.8802
509 FB1 0.8802
510 LZ1 0.8801
511 LTL 0.8801
512 N2Z 0.8800
513 3PF 0.8800
514 MS9 0.8799
515 M45 0.8799
516 LT2 0.8798
517 BZI 0.8798
518 2HO 0.8795
519 HE2 0.8794
520 SAF 0.8794
521 PZM 0.8794
522 4JP 0.8794
523 MEQ 0.8793
524 AG2 0.8793
525 ANN 0.8792
526 36R 0.8789
527 0HN 0.8788
528 1F1 0.8788
529 CHB 0.8788
530 PSE 0.8787
531 TT4 0.8783
532 OW4 0.8782
533 4ZA 0.8780
534 4WL 0.8779
535 826 0.8778
536 PEQ 0.8776
537 VAH 0.8776
538 3AL 0.8775
539 TIU 0.8774
540 FBV 0.8774
541 0RW 0.8773
542 ISN 0.8770
543 A8C 0.8770
544 2PG 0.8769
545 J1Z 0.8769
546 KKN 0.8766
547 HQJ 0.8766
548 FW5 0.8765
549 OPE 0.8765
550 SW7 0.8765
551 KTA 0.8764
552 3S5 0.8763
553 UYA 0.8761
554 SVN 0.8761
555 AMH 0.8758
556 Q03 0.8758
557 AAS 0.8757
558 2FY 0.8756
559 7HQ 0.8750
560 7W4 0.8749
561 QUZ 0.8746
562 SGL 0.8745
563 X1S 0.8745
564 MPI 0.8742
565 HPS 0.8738
566 6TZ 0.8737
567 ORO 0.8736
568 N2I 0.8736
569 GYE 0.8735
570 LYL 0.8733
571 0R1 0.8733
572 TSS 0.8732
573 3HG 0.8730
574 CSS 0.8727
575 OHP 0.8726
576 42J 0.8725
577 5NI 0.8724
578 6FZ 0.8723
579 5XB 0.8720
580 174 0.8720
581 FBW 0.8720
582 MPV 0.8720
583 HLR 0.8719
584 NSP 0.8717
585 8ZE 0.8715
586 VGD 0.8715
587 DMD 0.8714
588 8K2 0.8714
589 MSR 0.8714
590 DEE 0.8714
591 3HP 0.8713
592 1CO 0.8712
593 MSE 0.8712
594 KDG 0.8711
595 36Y 0.8711
596 SNE 0.8709
597 129 0.8707
598 F4E 0.8704
599 FBS 0.8704
600 0V5 0.8703
601 IP0 0.8702
602 4NM 0.8702
603 5VM 0.8701
604 5QY 0.8699
605 NPY 0.8698
606 CLT 0.8696
607 1P7 0.8694
608 CPZ 0.8693
609 3MB 0.8693
610 DPR 0.8692
611 269 0.8692
612 PAF 0.8692
613 9RH 0.8689
614 6NI 0.8687
615 3PP 0.8686
616 H8N 0.8686
617 4J8 0.8679
618 MZT 0.8679
619 GZ3 0.8675
620 SJ5 0.8674
621 BPN 0.8672
622 5HN 0.8672
623 3ID 0.8672
624 LFC 0.8671
625 XCZ 0.8671
626 3PG 0.8667
627 BRT 0.8667
628 XQ0 0.8666
629 L5V 0.8660
630 ES7 0.8659
631 DHY 0.8655
632 O45 0.8655
633 TAG 0.8652
634 3YP 0.8650
635 SNU 0.8650
636 3C4 0.8647
637 D1X 0.8645
638 PCT 0.8643
639 SME 0.8642
640 1BN 0.8638
641 SDD 0.8638
642 T9G 0.8637
643 24B 0.8635
644 GLO 0.8634
645 SEP 0.8634
646 3HR 0.8632
647 AT3 0.8630
648 SOR 0.8627
649 PH3 0.8620
650 5B1 0.8613
651 P58 0.8609
652 CWJ 0.8600
653 BXO 0.8599
654 M6H 0.8598
655 A20 0.8597
656 1KA 0.8588
657 FSG 0.8583
658 PRI 0.8582
659 J0Z 0.8573
660 DPF 0.8565
661 3BU 0.8558
662 2A9 0.8556
663 0LH 0.8556
664 WOT 0.8550
665 PLU 0.8543
666 42A 0.8536
667 RUJ 0.8529
668 259 0.8529
669 R8S 0.8528
670 EV0 0.8527
671 NNO 0.8525
672 J6W 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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