Receptor
PDB id Resolution Class Description Source Keywords
6tld 1.61 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI HDAC8 COMPLEXED WIT TRIAZOLE HYDROXAMATE INHIBITOR 2 SCHISTOSOMA MANSONI EPIGENETICS HISTONE DEACETYLASE HDAC8 SELECTIVE INHIBITORPATHOGEN HYDROLASE
Ref.: STRUCTURE-BASED DESIGN, SYNTHESIS, AND BIOLOGICAL E OF TRIAZOLE-BASED SMHDAC8 INHIBITORS. CHEMMEDCHEM V. 15 571 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:501;
A:501;
D:502;
C:501;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
DMF B:511;
D:511;
D:506;
C:507;
D:512;
C:505;
A:505;
A:507;
C:508;
B:507;
B:505;
D:508;
B:506;
B:508;
D:510;
C:506;
D:501;
B:509;
A:510;
D:509;
D:507;
A:506;
B:510;
C:509;
 Invalid;
Invalid;
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;
none;
none;
 submit data
73.094 C3 H7 N O CN(C)...
GOL B:512;
A:508;
C:510;
D:513;
A:509;
C:511;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
K D:503;
A:503;
B:502;
C:502;
C:503;
D:504;
A:502;
B:503;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
39.098 K [K+]
NK5 D:505;
B:504;
C:504;
A:504;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 4.4 uM
204.185 C9 H8 N4 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GXA 2.1 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI HDAC8 COMPLEXED WIT HYDROXAMATE 2 SCHISTOSOMA MANSONI EPIGENETICS HISTONE DEACETYLASE HDAC8 SELECTIVE INHIBITORPATHOGEN HYDROLASE
Ref.: SYNTHESIS, CRYSTALLIZATION STUDIES, AND IN VITRO CHARACTERIZATION OF CINNAMIC ACID DERIVATIVES AS SM INHIBITORS FOR THE TREATMENT OF SCHISTOSOMIASIS. CHEMMEDCHEM V. 13 1517 2018
Members (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 4BZ8 - J38 C10 H10 N2 O3 S C[C@@H]1C(....
2 6HQY Kd = 367 nM GKW C17 H16 N2 O3 COc1ccc(cc....
3 4BZ7 - B3N C16 H25 N3 O3 CN(C)c1ccc....
4 6HU2 ic50 = 1260 nM T34 C15 H16 N2 O2 Cc1ccc(cc1....
5 6HU0 ic50 = 122 nM T86 C15 H12 Cl2 N2 O4 COc1ccc(cc....
6 4CQF - 9Z8 C14 H20 N2 O2 S c1ccc(cc1)....
7 6HTG ic50 = 67 nM T61 C14 H11 Cl N2 O3 c1ccc(cc1)....
8 6GX3 ic50 = 250 nM FF2 C9 H6 Cl N O2 S c1cc2c(cc(....
9 6GXU ic50 = 180 nM FG8 C15 H12 Cl N O2 S c1ccc(c(c1....
10 6HTI ic50 = 97 nM GQW C16 H11 Cl N2 O3 S c1cc2ccsc2....
11 6HSG - GM5 C16 H14 N4 O2 S c1ccc(cc1)....
12 6TLD Kd = 4.4 uM NK5 C9 H8 N4 O2 c1ccc(cc1)....
13 6HT8 ic50 = 190 nM GQE C15 H14 N2 O4 COc1ccc(cc....
14 6HU1 ic50 = 191 nM GT2 C14 H9 Cl3 N2 O3 c1cc(c(cc1....
15 6HRQ Kd = 81.7 nM GM5 C16 H14 N4 O2 S c1ccc(cc1)....
16 6HSF - GKW C17 H16 N2 O3 COc1ccc(cc....
17 4BZ9 - KMY C9 H6 Cl N O2 S c1ccc2c(c1....
18 6HSZ ic50 = 116 nM GOW C15 H14 N2 O3 Cc1ccc(cc1....
19 6GXW ic50 = 440 nM FGN C16 H13 Cl2 N O3 c1ccc(c(c1....
20 6FU1 ic50 = 4.4 uM E7Q C16 H19 Cl N2 O4 CCCCCC(=O)....
21 6GXA ic50 = 60 nM TB8 C9 H8 Cl N O2 c1ccc(c(c1....
22 5FUE ic50 = 468.2 nM UV4 C14 H10 N2 O3 c1ccc(cc1)....
23 6HSH Kd = 28.4 nM GOK C21 H26 N6 O2 Cn1cc(c2c1....
24 6HU3 ic50 = 504 nM GRZ C15 H10 Cl F N4 O3 c1cc(ccc1O....
25 6HTT ic50 = 220 nM GQZ C14 H12 N2 O3 c1ccc(cc1)....
26 4BZ6 - SHH C14 H20 N2 O3 c1ccc(cc1)....
27 4BZ5 - TLA C4 H6 O6 [C@@H]([C@....
28 6HTZ ic50 = 183 nM GRK C16 H16 N2 O4 COc1ccc(cc....
29 6HTH ic50 = 75 nM GQN C21 H18 N2 O4 COc1ccc(cc....
70% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 4BZ8 - J38 C10 H10 N2 O3 S C[C@@H]1C(....
2 6HQY Kd = 367 nM GKW C17 H16 N2 O3 COc1ccc(cc....
3 4BZ7 - B3N C16 H25 N3 O3 CN(C)c1ccc....
4 6HU2 ic50 = 1260 nM T34 C15 H16 N2 O2 Cc1ccc(cc1....
5 6HU0 ic50 = 122 nM T86 C15 H12 Cl2 N2 O4 COc1ccc(cc....
6 4CQF - 9Z8 C14 H20 N2 O2 S c1ccc(cc1)....
7 6HTG ic50 = 67 nM T61 C14 H11 Cl N2 O3 c1ccc(cc1)....
8 6GX3 ic50 = 250 nM FF2 C9 H6 Cl N O2 S c1cc2c(cc(....
9 6GXU ic50 = 180 nM FG8 C15 H12 Cl N O2 S c1ccc(c(c1....
10 6HTI ic50 = 97 nM GQW C16 H11 Cl N2 O3 S c1cc2ccsc2....
11 6HSG - GM5 C16 H14 N4 O2 S c1ccc(cc1)....
12 6TLD Kd = 4.4 uM NK5 C9 H8 N4 O2 c1ccc(cc1)....
13 6HT8 ic50 = 190 nM GQE C15 H14 N2 O4 COc1ccc(cc....
14 6HU1 ic50 = 191 nM GT2 C14 H9 Cl3 N2 O3 c1cc(c(cc1....
15 6HRQ Kd = 81.7 nM GM5 C16 H14 N4 O2 S c1ccc(cc1)....
16 6HSF - GKW C17 H16 N2 O3 COc1ccc(cc....
17 4BZ9 - KMY C9 H6 Cl N O2 S c1ccc2c(c1....
18 6HSZ ic50 = 116 nM GOW C15 H14 N2 O3 Cc1ccc(cc1....
19 6GXW ic50 = 440 nM FGN C16 H13 Cl2 N O3 c1ccc(c(c1....
20 6FU1 ic50 = 4.4 uM E7Q C16 H19 Cl N2 O4 CCCCCC(=O)....
21 6GXA ic50 = 60 nM TB8 C9 H8 Cl N O2 c1ccc(c(c1....
22 5FUE ic50 = 468.2 nM UV4 C14 H10 N2 O3 c1ccc(cc1)....
23 6HSH Kd = 28.4 nM GOK C21 H26 N6 O2 Cn1cc(c2c1....
24 6HU3 ic50 = 504 nM GRZ C15 H10 Cl F N4 O3 c1cc(ccc1O....
25 6HTT ic50 = 220 nM GQZ C14 H12 N2 O3 c1ccc(cc1)....
26 4BZ6 - SHH C14 H20 N2 O3 c1ccc(cc1)....
27 4BZ5 - TLA C4 H6 O6 [C@@H]([C@....
28 6HTZ ic50 = 183 nM GRK C16 H16 N2 O4 COc1ccc(cc....
29 6HTH ic50 = 75 nM GQN C21 H18 N2 O4 COc1ccc(cc....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 4BZ8 - J38 C10 H10 N2 O3 S C[C@@H]1C(....
2 6HQY Kd = 367 nM GKW C17 H16 N2 O3 COc1ccc(cc....
3 4BZ7 - B3N C16 H25 N3 O3 CN(C)c1ccc....
4 6HU2 ic50 = 1260 nM T34 C15 H16 N2 O2 Cc1ccc(cc1....
5 6HU0 ic50 = 122 nM T86 C15 H12 Cl2 N2 O4 COc1ccc(cc....
6 4CQF - 9Z8 C14 H20 N2 O2 S c1ccc(cc1)....
7 6HTG ic50 = 67 nM T61 C14 H11 Cl N2 O3 c1ccc(cc1)....
8 6GX3 ic50 = 250 nM FF2 C9 H6 Cl N O2 S c1cc2c(cc(....
9 6GXU ic50 = 180 nM FG8 C15 H12 Cl N O2 S c1ccc(c(c1....
10 6HTI ic50 = 97 nM GQW C16 H11 Cl N2 O3 S c1cc2ccsc2....
11 6HSG - GM5 C16 H14 N4 O2 S c1ccc(cc1)....
12 6TLD Kd = 4.4 uM NK5 C9 H8 N4 O2 c1ccc(cc1)....
13 6HT8 ic50 = 190 nM GQE C15 H14 N2 O4 COc1ccc(cc....
14 6HU1 ic50 = 191 nM GT2 C14 H9 Cl3 N2 O3 c1cc(c(cc1....
15 6HRQ Kd = 81.7 nM GM5 C16 H14 N4 O2 S c1ccc(cc1)....
16 6HSF - GKW C17 H16 N2 O3 COc1ccc(cc....
17 4BZ9 - KMY C9 H6 Cl N O2 S c1ccc2c(c1....
18 6HSZ ic50 = 116 nM GOW C15 H14 N2 O3 Cc1ccc(cc1....
19 6GXW ic50 = 440 nM FGN C16 H13 Cl2 N O3 c1ccc(c(c1....
20 6FU1 ic50 = 4.4 uM E7Q C16 H19 Cl N2 O4 CCCCCC(=O)....
21 6GXA ic50 = 60 nM TB8 C9 H8 Cl N O2 c1ccc(c(c1....
22 5FUE ic50 = 468.2 nM UV4 C14 H10 N2 O3 c1ccc(cc1)....
23 6HSH Kd = 28.4 nM GOK C21 H26 N6 O2 Cn1cc(c2c1....
24 6HU3 ic50 = 504 nM GRZ C15 H10 Cl F N4 O3 c1cc(ccc1O....
25 6HTT ic50 = 220 nM GQZ C14 H12 N2 O3 c1ccc(cc1)....
26 4BZ6 - SHH C14 H20 N2 O3 c1ccc(cc1)....
27 4BZ5 - TLA C4 H6 O6 [C@@H]([C@....
28 6HTZ ic50 = 183 nM GRK C16 H16 N2 O4 COc1ccc(cc....
29 6HTH ic50 = 75 nM GQN C21 H18 N2 O4 COc1ccc(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NK5; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 NK5 1 1
2 ZZA 0.407407 0.64
Similar Ligands (3D)
Ligand no: 1; Ligand: NK5; Similar ligands found: 583
No: Ligand Similarity coefficient
1 8CC 0.9789
2 M4N 0.9652
3 G14 0.9601
4 PUE 0.9522
5 6FG 0.9507
6 ODK 0.9496
7 A9B 0.9492
8 5C1 0.9488
9 6C8 0.9483
10 4AU 0.9463
11 6MW 0.9443
12 P7V 0.9432
13 6C4 0.9430
14 5E5 0.9430
15 JMG 0.9429
16 68B 0.9424
17 P93 0.9424
18 3VQ 0.9405
19 YE6 0.9400
20 0UL 0.9390
21 9FH 0.9387
22 5B2 0.9387
23 4FF 0.9371
24 D1G 0.9358
25 2D2 0.9356
26 XI7 0.9353
27 0NX 0.9349
28 D2G 0.9344
29 RA7 0.9339
30 6C5 0.9338
31 KLS 0.9336
32 5F8 0.9330
33 D25 0.9328
34 5TO 0.9327
35 EV2 0.9324
36 LZ5 0.9312
37 IQ5 0.9308
38 JCZ 0.9303
39 78Y 0.9301
40 K48 0.9294
41 L1T 0.9293
42 47V 0.9291
43 D3G 0.9280
44 PIQ 0.9275
45 V2Z 0.9266
46 7O4 0.9264
47 A6W 0.9261
48 J38 0.9261
49 2P3 0.9259
50 KLE 0.9257
51 1XS 0.9250
52 5TT 0.9248
53 S8G 0.9247
54 0ON 0.9246
55 3C5 0.9245
56 7KE 0.9243
57 XCG 0.9243
58 L03 0.9242
59 MMJ 0.9242
60 2JX 0.9242
61 0LO 0.9235
62 4AF 0.9233
63 52F 0.9222
64 C4E 0.9221
65 OJD 0.9216
66 D9Z 0.9210
67 X6W 0.9208
68 5H6 0.9205
69 6C9 0.9203
70 0K7 0.9202
71 A6Z 0.9200
72 N9M 0.9198
73 363 0.9197
74 M78 0.9195
75 KW7 0.9194
76 1Q1 0.9193
77 5FL 0.9193
78 QIV 0.9189
79 VM1 0.9189
80 JF5 0.9187
81 MKN 0.9183
82 0SY 0.9180
83 NAL 0.9180
84 SB7 0.9177
85 FCD 0.9173
86 5WK 0.9171
87 36M 0.9164
88 6L6 0.9163
89 A98 0.9163
90 9NB 0.9161
91 AVA 0.9161
92 MD6 0.9159
93 GOE 0.9159
94 OQC 0.9158
95 B1J 0.9157
96 8D6 0.9148
97 BVS 0.9147
98 27K 0.9146
99 7EH 0.9142
100 EQW 0.9141
101 3S9 0.9141
102 D26 0.9140
103 N4E 0.9139
104 TMG 0.9139
105 TCR 0.9139
106 TRP 0.9137
107 613 0.9136
108 GJG 0.9135
109 4G2 0.9134
110 0DF 0.9133
111 PPN 0.9128
112 9JT 0.9128
113 8YH 0.9127
114 FHV 0.9127
115 PRL 0.9126
116 60L 0.9125
117 7N8 0.9121
118 2FX 0.9121
119 3VW 0.9119
120 GO2 0.9116
121 IQQ 0.9116
122 0OY 0.9115
123 795 0.9111
124 2GQ 0.9111
125 8V8 0.9109
126 3VS 0.9106
127 FZM 0.9105
128 4I8 0.9105
129 DBE 0.9099
130 UN3 0.9097
131 4Z9 0.9096
132 RKV 0.9093
133 11X 0.9093
134 JVD 0.9091
135 S7D 0.9090
136 ZRK 0.9090
137 FCW 0.9089
138 7MW 0.9089
139 JAH 0.9087
140 HNT 0.9087
141 L5D 0.9084
142 LR8 0.9082
143 1EB 0.9081
144 Y3L 0.9076
145 A7Q 0.9075
146 7ZO 0.9075
147 5SJ 0.9072
148 S45 0.9072
149 1FE 0.9070
150 3IP 0.9066
151 S0D 0.9065
152 37E 0.9064
153 6FB 0.9064
154 AJ1 0.9063
155 848 0.9062
156 7FU 0.9061
157 49P 0.9061
158 BZM 0.9060
159 CBE 0.9058
160 SWX 0.9053
161 1AJ 0.9053
162 TJM 0.9051
163 4CN 0.9048
164 AWE 0.9047
165 4FP 0.9047
166 BQ2 0.9047
167 EUH 0.9044
168 1A5 0.9044
169 MJW 0.9040
170 D8Q 0.9039
171 A51 0.9038
172 AOY 0.9038
173 3XH 0.9038
174 YZ9 0.9035
175 WCU 0.9034
176 L15 0.9034
177 2PK 0.9034
178 VFM 0.9033
179 J1K 0.9033
180 2QC 0.9033
181 IOP 0.9030
182 PZX 0.9030
183 GGG 0.9029
184 FT6 0.9029
185 6P3 0.9026
186 EYY 0.9025
187 YE7 0.9024
188 WV7 0.9018
189 LR2 0.9016
190 EWG 0.9015
191 PQS 0.9014
192 A5Q 0.9013
193 0QA 0.9012
194 28A 0.9011
195 NPX 0.9010
196 DAH 0.9010
197 3DE 0.9008
198 F4K 0.9008
199 TPM 0.9007
200 5O6 0.9006
201 657 0.9006
202 4FE 0.9003
203 QME 0.9002
204 22F 0.9001
205 BZQ 0.9001
206 492 0.9000
207 833 0.8999
208 KWV 0.8999
209 PQT 0.8999
210 3N1 0.8997
211 U7E 0.8995
212 C82 0.8993
213 3D8 0.8993
214 6KT 0.8992
215 GHQ 0.8991
216 2QU 0.8989
217 LO1 0.8983
218 39Z 0.8981
219 IWT 0.8979
220 HXY 0.8978
221 4NS 0.8978
222 7L4 0.8978
223 BSU 0.8976
224 TEF 0.8975
225 REG 0.8974
226 SOJ 0.8973
227 EQA 0.8972
228 S8P 0.8972
229 80G 0.8970
230 ENO 0.8970
231 NFZ 0.8969
232 6DQ 0.8968
233 4NP 0.8967
234 KMY 0.8965
235 EYV 0.8961
236 9VQ 0.8961
237 HLP 0.8960
238 MJ5 0.8958
239 BSA 0.8956
240 I2E 0.8956
241 SYD 0.8951
242 C53 0.8951
243 PQM 0.8950
244 AZY 0.8949
245 K7H 0.8949
246 1PS 0.8949
247 549 0.8948
248 HRM 0.8948
249 5VU 0.8945
250 OLU 0.8942
251 JA5 0.8937
252 CH8 0.8931
253 535 0.8929
254 E9S 0.8929
255 9VZ 0.8929
256 S0A 0.8927
257 0FR 0.8927
258 ERZ 0.8927
259 92G 0.8925
260 SX2 0.8925
261 GNR 0.8924
262 5GV 0.8923
263 96Z 0.8918
264 RVE 0.8916
265 AZM 0.8916
266 VC3 0.8914
267 SJR 0.8914
268 1V4 0.8914
269 E9P 0.8913
270 E3X 0.8912
271 RCV 0.8911
272 0XR 0.8909
273 2UD 0.8908
274 OA1 0.8906
275 TYR 0.8906
276 KPV 0.8905
277 EYJ 0.8904
278 39R 0.8904
279 H4B 0.8903
280 4MB 0.8901
281 GVY 0.8901
282 1OT 0.8900
283 VGS 0.8895
284 S0B 0.8894
285 EUE 0.8894
286 TID 0.8894
287 RF2 0.8893
288 1HR 0.8892
289 1ER 0.8890
290 LI7 0.8890
291 4CF 0.8890
292 0MB 0.8890
293 6H2 0.8889
294 4BX 0.8889
295 90G 0.8888
296 3GV 0.8887
297 SYE 0.8886
298 RPN 0.8884
299 HHB 0.8882
300 XYP XIF 0.8881
301 4FC 0.8881
302 WLH 0.8880
303 A7H 0.8879
304 D1Y 0.8879
305 DHC 0.8877
306 PPY 0.8875
307 NPS 0.8874
308 HL6 0.8874
309 531 0.8873
310 GLY GLY GLY 0.8873
311 EAT 0.8872
312 ZSP 0.8871
313 3SU 0.8871
314 P2L 0.8870
315 6SD 0.8869
316 GT4 0.8869
317 CC5 0.8869
318 K4V 0.8868
319 EEK 0.8864
320 S0F 0.8861
321 5WN 0.8860
322 S0E 0.8858
323 22T 0.8857
324 B5A 0.8857
325 LIG 0.8856
326 II4 0.8855
327 PTB 0.8855
328 HDI 0.8854
329 14N 0.8854
330 FC2 0.8853
331 JFS 0.8852
332 VFG 0.8852
333 BVA 0.8850
334 FER 0.8848
335 KYN 0.8846
336 1ZC 0.8845
337 G30 0.8845
338 YIP 0.8844
339 72D 0.8843
340 HX4 0.8842
341 6ZX 0.8840
342 5S9 0.8838
343 EN1 0.8835
344 AVX 0.8834
345 2L1 0.8834
346 5DE 0.8833
347 N9J 0.8833
348 K80 0.8832
349 3EB 0.8831
350 9AG 0.8827
351 2LW 0.8827
352 S7S 0.8824
353 XIF XYP 0.8824
354 WDW 0.8823
355 4UM 0.8823
356 FF2 0.8821
357 BFL 0.8818
358 K4T 0.8818
359 1KN 0.8817
360 EGV 0.8817
361 9BF 0.8816
362 3AK 0.8816
363 6FR 0.8816
364 9KZ 0.8816
365 SSC 0.8816
366 7G0 0.8815
367 ZEA 0.8809
368 0OM 0.8807
369 3IL 0.8807
370 AES 0.8807
371 NIY 0.8805
372 6J5 0.8805
373 GB5 0.8803
374 3CX 0.8802
375 EZL 0.8802
376 2O8 0.8800
377 EE8 0.8800
378 FZ0 0.8798
379 JGY 0.8797
380 CK2 0.8796
381 5DL 0.8793
382 SNJ 0.8792
383 ATX 0.8790
384 2J3 0.8789
385 HBI 0.8789
386 L02 0.8789
387 DEW 0.8787
388 6HO 0.8787
389 STV 0.8787
390 2J1 0.8787
391 3W6 0.8786
392 3W3 0.8786
393 92O 0.8786
394 BIO 0.8785
395 Q9T 0.8784
396 THU 0.8782
397 JBZ 0.8781
398 3XR 0.8780
399 SZ7 0.8780
400 0F3 0.8780
401 QBP 0.8779
402 FYR 0.8778
403 C0W 0.8777
404 T1N 0.8776
405 GNW 0.8776
406 QJA 0.8775
407 PNP 0.8774
408 N1E 0.8774
409 JGB 0.8773
410 GB4 0.8771
411 ING 0.8769
412 PTR 0.8768
413 0LA 0.8765
414 W23 0.8765
415 6DH 0.8764
416 1OU 0.8764
417 2OX 0.8761
418 IDZ 0.8760
419 ET0 0.8759
420 ARG 0.8759
421 LVP 0.8757
422 AMR 0.8754
423 3D3 0.8753
424 SSY 0.8752
425 JPQ 0.8751
426 2M7 0.8751
427 PQV 0.8751
428 6N4 0.8750
429 GVI 0.8750
430 ZYQ 0.8750
431 ZEZ 0.8749
432 LVY 0.8744
433 BL0 0.8743
434 ESE 0.8742
435 4YZ 0.8740
436 IPO 0.8740
437 GGB 0.8740
438 HSA 0.8739
439 4Z1 0.8739
440 H75 0.8739
441 ALE 0.8737
442 SB9 0.8736
443 A18 0.8735
444 5RP 0.8735
445 FY8 0.8734
446 4HB 0.8733
447 LOT 0.8731
448 R52 0.8731
449 AD6 0.8729
450 GLR 0.8728
451 CT0 0.8726
452 4Z3 0.8725
453 B41 0.8725
454 DTR 0.8725
455 NEU 0.8724
456 5OO 0.8721
457 0QV 0.8715
458 RNO 0.8715
459 F6R 0.8714
460 NIF 0.8714
461 4AB 0.8712
462 ASE 0.8711
463 SNO 0.8710
464 2WU 0.8706
465 EMU 0.8706
466 AVO 0.8705
467 S98 0.8702
468 BX4 0.8698
469 RDV 0.8697
470 IBP 0.8697
471 TIA 0.8696
472 F02 0.8695
473 5DS 0.8691
474 4XF 0.8689
475 P9E 0.8689
476 AGP 0.8687
477 TCC 0.8685
478 DDU 0.8684
479 0OO 0.8684
480 5NR 0.8684
481 SJK 0.8682
482 8NB 0.8681
483 DTY 0.8679
484 HPP 0.8679
485 H2B 0.8679
486 TB8 0.8677
487 PA5 0.8676
488 E6Q 0.8674
489 LVD 0.8672
490 4Z0 0.8670
491 IYR 0.8669
492 R5P 0.8669
493 N7I 0.8668
494 SKF 0.8668
495 GZV 0.8668
496 C0H 0.8667
497 LHY 0.8664
498 14W 0.8662
499 M5E 0.8661
500 ESJ 0.8660
501 ITE 0.8656
502 PV4 0.8656
503 1OS 0.8654
504 G8V 0.8654
505 XIL 0.8654
506 Q8D 0.8653
507 5M2 0.8653
508 DE7 0.8652
509 MGB 0.8650
510 AP6 0.8650
511 S62 0.8650
512 GJK 0.8649
513 Q06 0.8649
514 4V2 0.8648
515 GF4 0.8645
516 NDD 0.8645
517 1Q4 0.8645
518 MUX 0.8640
519 BGK 0.8639
520 1YO 0.8638
521 2QV 0.8636
522 2L2 0.8636
523 NEO 0.8634
524 A05 0.8630
525 XYP XDN 0.8627
526 NY4 0.8626
527 DX2 0.8625
528 GLY TYR 0.8625
529 BIK 0.8625
530 3L1 0.8620
531 7AP 0.8617
532 RYV 0.8617
533 ZYC 0.8611
534 PHI 0.8611
535 HPK 0.8610
536 RYY 0.8609
537 XDL XYP 0.8608
538 50Q 0.8608
539 DTE 0.8607
540 PFF 0.8607
541 DXG 0.8599
542 KLV 0.8599
543 DBS 0.8598
544 GZ2 0.8598
545 DT7 0.8596
546 7PJ 0.8596
547 F90 0.8595
548 4ZF 0.8593
549 ALA ALA ALA 0.8592
550 KOH 0.8591
551 PLP 0.8588
552 NQ7 0.8586
553 DAR 0.8584
554 M28 0.8581
555 5LD 0.8579
556 CS2 0.8578
557 XDN XYP 0.8578
558 7XX 0.8578
559 HAR 0.8576
560 VFJ 0.8576
561 FNT 0.8575
562 P4T 0.8573
563 TFQ 0.8572
564 FTV 0.8571
565 QUS 0.8560
566 7PS 0.8558
567 GO8 0.8555
568 TXW 0.8554
569 BZS 0.8554
570 Q86 0.8554
571 PRO GLY 0.8550
572 EAE 0.8549
573 ENG 0.8549
574 AQ1 0.8546
575 7UC 0.8546
576 C1E 0.8545
577 J6W 0.8544
578 6PG 0.8541
579 64Z 0.8541
580 XYS XYS 0.8536
581 3R4 0.8529
582 3NF 0.8523
583 NIR 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6GXA; Ligand: TB8; 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: 6gxa.bio4) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6GXA; Ligand: TB8; 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: 6gxa.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6GXA; Ligand: TB8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6gxa.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6GXA; Ligand: TB8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6gxa.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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