Receptor
PDB id Resolution Class Description Source Keywords
4BZ9 2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI HDAC8 COMPLEXED WIT SCHISTOSOMA MANSONI HYDROLASE TRANSFERASE PLATYHELMINTHS EPIGENETICS HDAC8
Ref.: STRUCTURAL BASIS FOR THE INHIBITION OF HISTONE DEAC 8 (HDAC8), A KEY EPIGENETIC PLAYER IN THE BLOOD FLU SCHISTOSOMA MANSONI. PLOS PATHOG. V. 9 03645 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K D:600;
C:600;
B:601;
D:601;
B:600;
C:601;
A:601;
A:600;
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+]
ZN D:500;
B:500;
A:500;
C:500;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
KMY B:700;
C:701;
C:700;
D:701;
A:700;
B:701;
D:700;
A:701;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
227.667 C9 H6 Cl N O2 S c1ccc...
DMF C:902;
D:901;
C:900;
D:900;
A:901;
C:901;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
73.094 C3 H7 N O CN(C)...
GOL B:800;
D:800;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
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: KMY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 KMY 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: KMY; Similar ligands found: 874
No: Ligand Similarity coefficient
1 N1E 0.9738
2 4I8 0.9558
3 BQ2 0.9555
4 4RU 0.9523
5 3R4 0.9501
6 6FB 0.9498
7 GJP 0.9489
8 9KZ 0.9479
9 FF2 0.9479
10 MD6 0.9469
11 XCG 0.9445
12 X0U 0.9434
13 535 0.9429
14 795 0.9416
15 68A 0.9413
16 A7H 0.9409
17 27B 0.9399
18 GO2 0.9397
19 EYV 0.9391
20 ICB 0.9390
21 APS 0.9387
22 THA 0.9379
23 F4E 0.9377
24 TMG 0.9373
25 3VX 0.9367
26 ARP 0.9357
27 1HN 0.9355
28 CK1 0.9349
29 61M 0.9347
30 HRM 0.9336
31 SLS 0.9330
32 ESX 0.9314
33 9ZE 0.9313
34 ANF 0.9310
35 0FR 0.9294
36 ESP 0.9290
37 2FX 0.9290
38 QIV 0.9289
39 BZ2 0.9288
40 K3D 0.9286
41 6N4 0.9285
42 NAG 0.9284
43 6KT 0.9283
44 4BX 0.9282
45 I3E 0.9277
46 1L5 0.9277
47 EYJ 0.9274
48 AA 0.9274
49 IAC 0.9273
50 FCD 0.9273
51 N91 0.9273
52 RA7 0.9270
53 AN3 0.9270
54 0NX 0.9264
55 92G 0.9263
56 4BY 0.9258
57 D3G 0.9253
58 7MX 0.9251
59 SKF 0.9250
60 Y3L 0.9246
61 CK2 0.9237
62 6NI 0.9236
63 J6W 0.9235
64 PRL 0.9234
65 6FZ 0.9232
66 FDR 0.9230
67 EVF 0.9229
68 3VS 0.9228
69 5TY 0.9218
70 TXW 0.9217
71 BA5 0.9216
72 EV2 0.9213
73 3VQ 0.9213
74 N9J 0.9212
75 IOS 0.9212
76 GVY 0.9210
77 0JD 0.9209
78 RSV 0.9208
79 363 0.9208
80 30G 0.9207
81 SJK 0.9207
82 OQC 0.9206
83 YE6 0.9202
84 9R5 0.9201
85 HNT 0.9200
86 GDL 0.9199
87 RNO 0.9199
88 N4E 0.9198
89 ZHA 0.9198
90 SNO 0.9197
91 2P3 0.9196
92 MAJ 0.9194
93 3XR 0.9193
94 JA5 0.9191
95 GOE 0.9188
96 1F1 0.9188
97 ST3 0.9187
98 7MW 0.9179
99 94W 0.9178
100 8XL 0.9178
101 YZ9 0.9177
102 FZM 0.9177
103 H4B 0.9177
104 E1T 0.9176
105 M5H 0.9176
106 36M 0.9175
107 SYE 0.9174
108 LZ5 0.9174
109 0OK 0.9173
110 S0D 0.9171
111 ITE 0.9171
112 H5B 0.9171
113 2BG 0.9168
114 428 0.9163
115 S0E 0.9163
116 LQ2 0.9162
117 7AP 0.9162
118 K4V 0.9162
119 4NB 0.9161
120 K7H 0.9161
121 E1K 0.9158
122 9UL 0.9156
123 ZEC 0.9154
124 5NI 0.9153
125 1A7 0.9153
126 D2G 0.9153
127 DRG 0.9152
128 ZZA 0.9152
129 XI7 0.9151
130 2FY 0.9151
131 B1J 0.9150
132 12T 0.9150
133 BIO 0.9146
134 HX4 0.9146
135 ODK 0.9143
136 6MW 0.9143
137 VC3 0.9142
138 AES 0.9139
139 KDV 0.9137
140 GT4 0.9136
141 3QV 0.9136
142 3ZB 0.9134
143 ST2 0.9130
144 KLE 0.9128
145 8ZE 0.9127
146 4BL 0.9126
147 ESI 0.9124
148 FQX 0.9124
149 UNJ 0.9121
150 2QC 0.9120
151 M78 0.9118
152 I2E 0.9118
153 3VW 0.9116
154 L46 0.9115
155 5LA 0.9111
156 3J8 0.9109
157 4AB 0.9108
158 EQA 0.9107
159 N2I 0.9107
160 KLS 0.9106
161 L22 0.9106
162 N2M 0.9104
163 4LW 0.9104
164 OA1 0.9103
165 F02 0.9103
166 7O4 0.9102
167 15N 0.9102
168 ODO 0.9100
169 OCZ 0.9100
170 3D3 0.9099
171 344 0.9098
172 15E 0.9097
173 L14 0.9097
174 6VD 0.9097
175 8MO 0.9096
176 K97 0.9093
177 2ZM 0.9092
178 54X 0.9091
179 259 0.9088
180 E7S 0.9086
181 2HC 0.9086
182 GO8 0.9083
183 6NT 0.9081
184 HC4 0.9078
185 N0Z 0.9078
186 8NB 0.9077
187 0ON 0.9077
188 657 0.9077
189 BPY 0.9076
190 GZ2 0.9076
191 EUE 0.9075
192 PNZ 0.9075
193 PPY 0.9073
194 MS9 0.9073
195 HBI 0.9071
196 H2B 0.9071
197 5B2 0.9071
198 J38 0.9071
199 KTW 0.9071
200 JAH 0.9067
201 CWJ 0.9067
202 3NY 0.9066
203 1FE 0.9065
204 1A5 0.9065
205 8W9 0.9064
206 BVS 0.9063
207 DVQ 0.9063
208 ZSP 0.9063
209 0SY 0.9062
210 4AU 0.9062
211 PH2 0.9061
212 D8Q 0.9061
213 K82 0.9060
214 3A9 0.9058
215 0J4 0.9058
216 TCA 0.9057
217 4WL 0.9057
218 EE8 0.9055
219 L03 0.9054
220 VUP 0.9054
221 36E 0.9052
222 0HN 0.9052
223 C53 0.9051
224 JCZ 0.9051
225 BZQ 0.9049
226 ANC 0.9049
227 CXH 0.9046
228 8WO 0.9046
229 DNA 0.9046
230 JDN 0.9045
231 3N1 0.9044
232 MSR 0.9042
233 CFA 0.9042
234 TRP 0.9038
235 JBZ 0.9038
236 HA5 0.9037
237 LNR 0.9036
238 6QF 0.9035
239 TB8 0.9034
240 54E 0.9033
241 JMG 0.9033
242 ZYQ 0.9032
243 Z21 0.9031
244 4V2 0.9031
245 PQZ 0.9029
246 FC2 0.9029
247 HBO 0.9029
248 S8A 0.9029
249 4NZ 0.9028
250 E5X 0.9027
251 27K 0.9027
252 5GT 0.9025
253 P81 0.9024
254 0UL 0.9024
255 H4E 0.9024
256 G14 0.9024
257 833 0.9024
258 BHS 0.9023
259 BP7 0.9023
260 0HO 0.9023
261 OLU 0.9022
262 P9E 0.9022
263 P7Y 0.9022
264 GNM 0.9022
265 Y0V 0.9021
266 AAN 0.9021
267 KP2 0.9021
268 TCR 0.9021
269 HHR 0.9020
270 1M2 0.9019
271 0K7 0.9018
272 78Y 0.9015
273 HHS 0.9015
274 PUE 0.9015
275 4CN 0.9014
276 4BZ 0.9014
277 R9Y 0.9014
278 XDE 0.9013
279 ALE 0.9013
280 DBS 0.9012
281 PH3 0.9011
282 9H2 0.9008
283 MAG 0.9005
284 9FH 0.9003
285 6HO 0.9002
286 IWT 0.9002
287 JB8 0.9001
288 QME 0.9001
289 A7N 0.8999
290 5E5 0.8998
291 4NM 0.8998
292 V1T 0.8998
293 5SJ 0.8998
294 FBF 0.8998
295 DPT 0.8997
296 0FN 0.8997
297 TT4 0.8996
298 XDK 0.8996
299 BPN 0.8994
300 RYV 0.8994
301 FHV 0.8994
302 BGN 0.8992
303 M4E 0.8992
304 F4K 0.8992
305 A5E 0.8992
306 PMP 0.8992
307 L1T 0.8991
308 PBN 0.8991
309 TGX 0.8989
310 2GQ 0.8988
311 4Z9 0.8987
312 7EH 0.8987
313 IQ5 0.8987
314 P80 0.8986
315 JAW 0.8986
316 H75 0.8986
317 6SD 0.8986
318 4MB 0.8985
319 A5H 0.8984
320 C82 0.8983
321 4ZA 0.8983
322 4Z3 0.8983
323 PJW 0.8982
324 AMH 0.8981
325 D1G 0.8981
326 2LY 0.8981
327 S60 0.8981
328 S7J 0.8981
329 CPZ 0.8979
330 9NB 0.8978
331 GB5 0.8977
332 4CM 0.8974
333 FTV 0.8973
334 BGU 0.8973
335 E3X 0.8971
336 5OO 0.8970
337 AOT 0.8970
338 X48 0.8970
339 68B 0.8970
340 492 0.8969
341 MP5 0.8967
342 XIZ 0.8966
343 BNX 0.8966
344 AM4 0.8966
345 NK5 0.8965
346 ZRK 0.8965
347 5AD 0.8964
348 2K8 0.8964
349 NDG 0.8960
350 IOP 0.8960
351 EUH 0.8960
352 BVA 0.8959
353 6J5 0.8957
354 DAH 0.8957
355 4HB 0.8956
356 CH9 0.8955
357 0FK 0.8955
358 BZJ 0.8955
359 4XF 0.8955
360 2HU 0.8955
361 AH9 0.8952
362 28A 0.8952
363 9CA 0.8951
364 9FL 0.8951
365 GF4 0.8951
366 3W8 0.8950
367 2O6 0.8949
368 J1K 0.8949
369 NFM 0.8949
370 EXD 0.8948
371 4Z1 0.8948
372 52F 0.8948
373 OW7 0.8948
374 ZEA 0.8948
375 HCI 0.8947
376 8D6 0.8947
377 LR8 0.8947
378 CTE 0.8946
379 7VP 0.8945
380 EAE 0.8944
381 GB4 0.8943
382 4JE 0.8941
383 8HC 0.8941
384 6L6 0.8941
385 PZP 0.8941
386 TYR 0.8940
387 2JX 0.8939
388 5GV 0.8938
389 1AJ 0.8938
390 QMS 0.8938
391 3W6 0.8938
392 3W3 0.8938
393 4P5 0.8937
394 TZF 0.8936
395 PEY 0.8936
396 0TU 0.8935
397 CC5 0.8934
398 2WU 0.8931
399 LFQ 0.8930
400 2LW 0.8930
401 2CZ 0.8928
402 3AE 0.8928
403 NGA 0.8928
404 8YH 0.8927
405 DHC 0.8927
406 F9Y 0.8920
407 AUV 0.8919
408 549 0.8919
409 1IT 0.8919
410 PO6 0.8919
411 TYL 0.8918
412 C2Y 0.8918
413 CSN 0.8917
414 N8Y 0.8917
415 AMR 0.8916
416 KYA 0.8916
417 ANN 0.8916
418 S98 0.8915
419 A2G 0.8913
420 46P 0.8913
421 4NS 0.8913
422 XIY 0.8913
423 SWX 0.8911
424 JG8 0.8910
425 9GP 0.8910
426 0DF 0.8910
427 60L 0.8908
428 2D2 0.8908
429 FWD 0.8908
430 4FF 0.8907
431 PLP 0.8907
432 L1O 0.8906
433 9BF 0.8905
434 JF2 0.8904
435 ABI 0.8903
436 92P 0.8903
437 4YO 0.8903
438 BNL 0.8902
439 JP2 0.8902
440 LL1 0.8901
441 A6W 0.8901
442 6HP 0.8900
443 W81 0.8900
444 8CC 0.8900
445 JWS 0.8899
446 ZYR 0.8899
447 DJN 0.8899
448 SNU 0.8898
449 49O 0.8897
450 2FQ 0.8897
451 S0G 0.8896
452 MQN 0.8896
453 0LO 0.8896
454 NPS 0.8896
455 1VK 0.8895
456 NEU 0.8892
457 ONZ 0.8892
458 FER 0.8892
459 4JQ 0.8891
460 WV7 0.8891
461 OTR 0.8891
462 LR5 0.8890
463 2PK 0.8890
464 CR1 0.8888
465 1EB 0.8888
466 J9N 0.8887
467 QBP 0.8887
468 PIQ 0.8886
469 B21 0.8886
470 2J1 0.8886
471 PQS 0.8886
472 EN1 0.8885
473 GF1 0.8884
474 3XH 0.8884
475 MS0 0.8883
476 BBY 0.8883
477 5VU 0.8883
478 0J5 0.8880
479 5O6 0.8880
480 N7I 0.8880
481 LOG 0.8879
482 PNP 0.8879
483 1ZC 0.8878
484 4FE 0.8878
485 JYB 0.8878
486 5F8 0.8877
487 5H6 0.8875
488 ERZ 0.8874
489 EQW 0.8873
490 OTW 0.8872
491 NLA 0.8870
492 1XS 0.8870
493 LSQ 0.8868
494 KWB 0.8867
495 LDP 0.8867
496 3SU 0.8866
497 22L 0.8866
498 C1M 0.8865
499 MPK 0.8864
500 TSS 0.8863
501 GOJ 0.8863
502 FUD 0.8862
503 LO1 0.8861
504 MR1 0.8860
505 TZM 0.8860
506 89J 0.8860
507 AJ1 0.8860
508 4NP 0.8859
509 97T 0.8857
510 0BP 0.8856
511 VXX 0.8855
512 DQU 0.8854
513 CKA 0.8854
514 JXK 0.8854
515 K48 0.8854
516 EYY 0.8853
517 GNY 0.8853
518 44V 0.8852
519 SN4 0.8852
520 JTA 0.8852
521 6Q3 0.8851
522 SRO 0.8847
523 6ZW 0.8846
524 EES 0.8846
525 0OL 0.8844
526 5OR 0.8843
527 NPX 0.8842
528 LP8 0.8841
529 D9Z 0.8840
530 8NX 0.8840
531 5V7 0.8839
532 5RO 0.8838
533 SOJ 0.8838
534 ATX 0.8837
535 HFA 0.8837
536 52C 0.8836
537 36Y 0.8836
538 N3W 0.8835
539 AJY 0.8835
540 QX4 0.8835
541 2KA 0.8833
542 B56 0.8833
543 6P3 0.8833
544 QQQ 0.8833
545 EWG 0.8833
546 E3D 0.8833
547 5FL 0.8833
548 GNV 0.8832
549 4AA 0.8832
550 0W1 0.8831
551 MXD 0.8829
552 1Z6 0.8829
553 7FU 0.8829
554 NDD 0.8829
555 CLZ 0.8828
556 HPP 0.8827
557 OOG 0.8826
558 Z13 0.8826
559 LEL 0.8824
560 AZM 0.8823
561 MFZ 0.8823
562 PFF 0.8822
563 DBE 0.8821
564 5F5 0.8820
565 2PV 0.8820
566 0GA 0.8819
567 B62 0.8818
568 C9M 0.8817
569 K44 0.8817
570 S7D 0.8816
571 YZM 0.8816
572 F5C 0.8816
573 TWO 0.8816
574 44W 0.8816
575 CIY 0.8816
576 NFA 0.8816
577 5DS 0.8815
578 R2P 0.8815
579 BZ3 0.8814
580 HKD 0.8814
581 LR2 0.8812
582 C4E 0.8812
583 PHE 0.8810
584 DPN 0.8810
585 BBK 0.8809
586 IBP 0.8809
587 DEE 0.8809
588 KYN 0.8807
589 50C 0.8807
590 V2Z 0.8806
591 28B 0.8805
592 H4B NO 0.8804
593 86L 0.8803
594 A5P 0.8803
595 MVN 0.8801
596 F40 0.8801
597 5XC 0.8800
598 0F9 0.8798
599 6ME 0.8798
600 7L4 0.8797
601 A29 0.8797
602 II4 0.8795
603 2F6 0.8795
604 UFO 0.8795
605 BHQ 0.8794
606 MPV 0.8794
607 4LV 0.8794
608 PQM 0.8793
609 XHP 0.8793
610 THM 0.8793
611 X04 0.8792
612 4I5 0.8792
613 T1N 0.8791
614 JGB 0.8790
615 ENO 0.8789
616 80G 0.8788
617 8WT 0.8788
618 S7S 0.8787
619 VM1 0.8786
620 RVE 0.8786
621 47V 0.8785
622 9FE 0.8784
623 4TU 0.8781
624 P1J 0.8780
625 SG2 0.8779
626 9JT 0.8779
627 7PJ 0.8778
628 AJG 0.8778
629 537 0.8777
630 AU8 0.8776
631 JND 0.8774
632 AVX 0.8774
633 HNK 0.8774
634 8Y7 0.8774
635 CWD 0.8773
636 HJ7 0.8770
637 HWD 0.8770
638 JF1 0.8769
639 KTJ 0.8769
640 BWD 0.8768
641 HNH 0.8768
642 27M 0.8767
643 MMS 0.8764
644 AWE 0.8762
645 5OB 0.8762
646 5WN 0.8762
647 96Z 0.8760
648 Q4G 0.8759
649 6ZX 0.8758
650 5TZ 0.8758
651 PFL 0.8757
652 SNG 0.8756
653 TIY 0.8756
654 WS7 0.8756
655 FMQ 0.8756
656 ZYX 0.8755
657 FCW 0.8755
658 SOR 0.8754
659 4KL 0.8753
660 HDH 0.8753
661 HIS 0.8753
662 TTL 0.8752
663 J9Q 0.8751
664 CHQ 0.8749
665 NBG 0.8748
666 RP3 0.8747
667 AC2 0.8747
668 LVD 0.8747
669 TYC 0.8745
670 DTY 0.8744
671 6TZ 0.8743
672 HQJ 0.8742
673 YPN 0.8742
674 PRF 0.8742
675 A5Q 0.8741
676 LUM 0.8740
677 IPD 0.8740
678 CNI 0.8739
679 JRB 0.8738
680 B52 0.8738
681 BDI 0.8737
682 R20 0.8733
683 0FO 0.8732
684 M4S 0.8732
685 S0W 0.8731
686 4NR 0.8731
687 KF5 0.8730
688 TJM 0.8728
689 B4O 0.8728
690 STX 0.8728
691 DUR 0.8727
692 LJ3 0.8727
693 M6Z 0.8727
694 NRA 0.8721
695 6C9 0.8721
696 9FG 0.8718
697 MIL 0.8717
698 DX7 0.8716
699 E79 0.8712
700 GNR 0.8711
701 ARG 0.8710
702 IWD 0.8710
703 E9S 0.8710
704 SSC 0.8710
705 L99 0.8709
706 ROI 0.8709
707 4JC 0.8706
708 56D 0.8705
709 6E8 0.8704
710 TID 0.8703
711 2QV 0.8703
712 X11 0.8703
713 GXD 0.8702
714 5WT 0.8702
715 6RQ 0.8702
716 5TT 0.8702
717 YE7 0.8700
718 92K 0.8699
719 PBA 0.8699
720 5RP 0.8699
721 CX6 0.8698
722 4G2 0.8696
723 HNL 0.8696
724 SQ4 0.8695
725 EV3 0.8695
726 3D1 0.8693
727 XRS 0.8693
728 PQ0 0.8693
729 N2Z 0.8687
730 C8O 0.8686
731 HHI 0.8683
732 SYV 0.8682
733 0F3 0.8682
734 9LI 0.8681
735 HL4 0.8679
736 LFN 0.8679
737 9AP 0.8677
738 5NS 0.8677
739 LZ2 0.8676
740 IQZ 0.8674
741 DX3 0.8672
742 0XR 0.8671
743 LDR 0.8670
744 AJV 0.8670
745 HHH 0.8669
746 DE5 0.8668
747 X0T 0.8668
748 ZRL 0.8666
749 IQW 0.8666
750 L13 0.8663
751 P93 0.8662
752 2JK 0.8662
753 1PS 0.8660
754 PIM 0.8659
755 5GU 0.8657
756 F69 0.8657
757 5QY 0.8656
758 SKA 0.8656
759 Q02 0.8655
760 0XT 0.8654
761 BNF 0.8654
762 KLV 0.8653
763 4MP 0.8652
764 DK1 0.8652
765 IL5 0.8651
766 KJU 0.8650
767 LGT 0.8649
768 TAG 0.8648
769 ES2 0.8647
770 5VL 0.8647
771 S8G 0.8645
772 6J9 0.8645
773 3D8 0.8643
774 G6P 0.8643
775 EAT 0.8642
776 6FG 0.8642
777 6C5 0.8641
778 MUR 0.8641
779 FBB 0.8639
780 NBV 0.8638
781 P4L 0.8637
782 XM5 0.8637
783 MR6 0.8637
784 7W1 0.8636
785 RKV 0.8635
786 OHJ 0.8635
787 86J 0.8634
788 Q0K 0.8634
789 6DQ 0.8633
790 NCT 0.8633
791 NPA 0.8632
792 39Z 0.8631
793 GHM 0.8630
794 BY5 0.8630
795 HQT 0.8630
796 H42 0.8629
797 6DP 0.8628
798 TIA 0.8628
799 397 0.8627
800 URO 0.8625
801 M83 0.8621
802 KLK 0.8621
803 FHC 0.8620
804 WVV 0.8620
805 DHI 0.8616
806 4FS 0.8615
807 03V 0.8614
808 1QV 0.8613
809 2QU 0.8613
810 CTN 0.8611
811 12Q 0.8611
812 I4D 0.8611
813 B2Y 0.8611
814 1DR 0.8610
815 FA0 0.8609
816 JB5 0.8608
817 EI1 0.8607
818 6EL 0.8605
819 54Z 0.8603
820 EF2 0.8603
821 K3Q 0.8602
822 DHB 0.8600
823 CUW 0.8595
824 42J 0.8595
825 4BF 0.8593
826 DZA 0.8592
827 BZE 0.8590
828 HQD 0.8589
829 ES5 0.8588
830 PRZ 0.8588
831 GC2 0.8588
832 7QD 0.8586
833 OCH 0.8584
834 A4T 0.8583
835 PD2 0.8582
836 3Y7 0.8581
837 WCU 0.8581
838 DHY 0.8580
839 26C 0.8579
840 37E 0.8575
841 PXL 0.8574
842 2HO 0.8572
843 PRA 0.8571
844 K80 0.8571
845 1HP 0.8571
846 YRL 0.8567
847 2AQ 0.8567
848 258 0.8567
849 JLZ 0.8567
850 COU 0.8566
851 173 0.8565
852 ICO 0.8564
853 XAZ 0.8563
854 ES7 0.8562
855 DNF 0.8562
856 CLW 0.8560
857 N2Y 0.8556
858 DX2 0.8554
859 4M0 0.8552
860 LJ4 0.8552
861 M2K 0.8550
862 7QV 0.8549
863 OW4 0.8542
864 KBZ 0.8535
865 1P8 0.8531
866 Z70 0.8530
867 NWD 0.8530
868 KKN 0.8529
869 KGK 0.8525
870 4SX 0.8520
871 5NN 0.8517
872 4NC 0.8513
873 EST 0.8510
874 NQH 0.8503
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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