Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K B:503;
A:502;
A:503;
C:503;
D:503;
D:502;
C:502;
B:502;
 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+]
DMF A:506;
A:505;
B:505;
C:506;
D:505;
B:506;
C:505;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
73.094 C3 H7 N O CN(C)...
TB8 B:504;
A:504;
D:504;
C:504;
 Valid;
Invalid;
Valid;
Valid;
 none;
none;
none;
none;
 ic50 = 60 nM
197.618 C9 H8 Cl N O2 c1ccc...
GOL C:507;
B:507;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
ZN C:501;
D:501;
B:501;
A:501;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
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: TB8; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 TB8 1 1
2 GB4 0.541667 1
3 FGN 0.483333 0.727273
4 FG8 0.457627 0.842105
5 GB5 0.416667 0.9375
Similar Ligands (3D)
Ligand no: 1; Ligand: TB8; Similar ligands found: 540
No: Ligand Similarity coefficient
1 TOH 0.9524
2 P7Y 0.9523
3 2HC 0.9492
4 F06 0.9478
5 P80 0.9452
6 TOM 0.9437
7 N9J 0.9435
8 FF2 0.9423
9 DHC 0.9382
10 4Z1 0.9378
11 TCA 0.9377
12 5OO 0.9372
13 6J5 0.9347
14 CFA 0.9333
15 NFA 0.9316
16 XIZ 0.9304
17 EQA 0.9304
18 PO6 0.9297
19 HC4 0.9295
20 HFA 0.9285
21 61M 0.9267
22 1A7 0.9261
23 TMG 0.9247
24 HCI 0.9243
25 PBA 0.9235
26 HL4 0.9233
27 XCG 0.9233
28 PHE 0.9232
29 92G 0.9228
30 3YP 0.9215
31 QUS 0.9200
32 4Z3 0.9199
33 363 0.9195
34 N1E 0.9195
35 RA7 0.9193
36 505 0.9186
37 HPP 0.9185
38 TYR 0.9183
39 HJH 0.9183
40 DTY 0.9182
41 PBN 0.9181
42 GVY 0.9180
43 P81 0.9178
44 TU0 0.9169
45 ESI 0.9166
46 BQ2 0.9165
47 3H2 0.9160
48 PFF 0.9160
49 S0W 0.9154
50 DAH 0.9153
51 HWD 0.9153
52 FCD 0.9145
53 ERZ 0.9143
54 4LW 0.9142
55 MP5 0.9134
56 PPY 0.9134
57 ENO 0.9132
58 BRH 0.9129
59 ARG 0.9126
60 DPN 0.9123
61 BPY 0.9119
62 KTW 0.9116
63 STT 0.9114
64 D3G 0.9114
65 ALE 0.9114
66 DTR 0.9111
67 D1Y 0.9105
68 0NX 0.9104
69 HX4 0.9103
70 LSQ 0.9101
71 MMS 0.9090
72 S2P 0.9085
73 IOP 0.9078
74 PH3 0.9070
75 TYC 0.9068
76 TRP 0.9067
77 AMQ 0.9062
78 HSX 0.9060
79 A7K 0.9060
80 9JT 0.9060
81 XI7 0.9059
82 B41 0.9056
83 PLR 0.9052
84 EQW 0.9050
85 KYN 0.9049
86 HNL 0.9048
87 EYJ 0.9044
88 K80 0.9043
89 7VP 0.9040
90 MD6 0.9037
91 PRA 0.9035
92 2P3 0.9034
93 KMY 0.9034
94 SHI 0.9032
95 Z70 0.9028
96 2FX 0.9027
97 GO2 0.9027
98 CWD 0.9024
99 FZM 0.9024
100 XDK 0.9022
101 S0D 0.9021
102 6HP 0.9021
103 CLU 0.9019
104 6Q3 0.9017
105 X48 0.9017
106 3D8 0.9017
107 PLP 0.9016
108 FWD 0.9015
109 JPQ 0.9013
110 LVD 0.9013
111 C82 0.9013
112 G14 0.9011
113 LT1 0.9011
114 7ZL 0.9011
115 E9S 0.9007
116 BWD 0.9006
117 HIC 0.9006
118 I2E 0.9005
119 AMR 0.9001
120 AOT 0.9000
121 4Z9 0.8999
122 1L5 0.8993
123 SLY 0.8993
124 9BF 0.8992
125 4LV 0.8987
126 3VQ 0.8987
127 TZP 0.8987
128 BY5 0.8986
129 R20 0.8985
130 4BF 0.8984
131 FER 0.8982
132 CPZ 0.8982
133 A5E 0.8981
134 6C9 0.8979
135 R2P 0.8979
136 N9M 0.8978
137 F90 0.8976
138 37E 0.8976
139 BNL 0.8975
140 IPO 0.8974
141 O2Y 0.8972
142 HXY 0.8972
143 CBE 0.8971
144 N7I 0.8971
145 0XR 0.8971
146 PMP 0.8970
147 FC2 0.8969
148 GZ2 0.8969
149 BP7 0.8969
150 JRB 0.8969
151 LYS 0.8968
152 7OD 0.8966
153 A6H 0.8966
154 ODK 0.8966
155 EVF 0.8965
156 MSR 0.8965
157 ZIP 0.8961
158 2LT 0.8961
159 JCZ 0.8960
160 5TO 0.8954
161 NFM 0.8954
162 14W 0.8952
163 F4E 0.8951
164 4BX 0.8950
165 1X4 0.8950
166 NQH 0.8949
167 DAR 0.8947
168 CH9 0.8945
169 5WN 0.8943
170 833 0.8942
171 50C 0.8942
172 258 0.8942
173 11C 0.8941
174 BZ2 0.8941
175 492 0.8940
176 G6P 0.8940
177 5C1 0.8937
178 C4E 0.8937
179 4V2 0.8937
180 PXP 0.8935
181 ESP 0.8933
182 268 0.8932
183 EYV 0.8932
184 AKG 0.8931
185 YE6 0.8930
186 IAC 0.8930
187 S3C 0.8929
188 HNK 0.8929
189 KLE 0.8926
190 RP3 0.8926
191 GZV 0.8926
192 NNH 0.8925
193 IWD 0.8924
194 E4P 0.8923
195 B1J 0.8923
196 1KN 0.8921
197 DIR 0.8919
198 GXG 0.8918
199 6N4 0.8916
200 B2Y 0.8916
201 6ZX 0.8915
202 L13 0.8915
203 CIR 0.8913
204 SOJ 0.8910
205 3IP 0.8908
206 URO 0.8908
207 TYE 0.8906
208 YZM 0.8906
209 A51 0.8905
210 GGB 0.8905
211 X04 0.8903
212 YIP 0.8903
213 IYR 0.8902
214 ABF 0.8900
215 OOG 0.8898
216 3S9 0.8894
217 SB7 0.8893
218 PHI 0.8891
219 68B 0.8889
220 795 0.8888
221 ZZA 0.8888
222 AOY 0.8887
223 52C 0.8887
224 HPT 0.8886
225 C0H 0.8886
226 PLP PMP 0.8885
227 CK2 0.8885
228 QME 0.8884
229 LTN 0.8883
230 WVV 0.8882
231 PJW 0.8881
232 H35 0.8880
233 UN1 0.8879
234 N2Y 0.8878
235 HNH 0.8878
236 NYL 0.8877
237 BG6 0.8877
238 M6P 0.8876
239 6SD 0.8875
240 535 0.8874
241 TJM 0.8874
242 9FG 0.8874
243 B21 0.8872
244 BNF 0.8870
245 B40 0.8869
246 TI7 0.8867
247 DI6 0.8867
248 4I8 0.8866
249 MPK 0.8865
250 4FP 0.8864
251 3IL 0.8860
252 IOS 0.8860
253 DEZ 0.8859
254 I3E 0.8858
255 AHN 0.8858
256 XRS 0.8858
257 4R1 0.8857
258 BBY 0.8857
259 5B2 0.8857
260 ICB 0.8856
261 JB8 0.8856
262 2GQ 0.8855
263 ONH 0.8854
264 FMQ 0.8854
265 28A 0.8852
266 GXD 0.8851
267 F69 0.8851
268 9UL 0.8850
269 QIV 0.8850
270 C53 0.8849
271 MAJ 0.8847
272 FTV 0.8846
273 M5H 0.8846
274 4XF 0.8846
275 OHJ 0.8846
276 KLS 0.8846
277 AVX 0.8846
278 C9M 0.8844
279 6C8 0.8843
280 TCC 0.8843
281 BVS 0.8842
282 HL6 0.8842
283 H4B 0.8842
284 1PS 0.8841
285 2UZ 0.8839
286 0SY 0.8838
287 A6P 0.8835
288 6J9 0.8834
289 AX3 0.8832
290 1XS 0.8829
291 D8Q 0.8825
292 AUV 0.8825
293 SQ4 0.8822
294 GJK 0.8820
295 26P 0.8818
296 LNR 0.8817
297 GLP 0.8817
298 TIH 0.8816
299 J9N 0.8816
300 GO8 0.8812
301 3B4 0.8810
302 HIS 0.8808
303 TL5 0.8806
304 ZRK 0.8805
305 CC5 0.8804
306 CXH 0.8803
307 A5H 0.8802
308 6MW 0.8801
309 CK1 0.8801
310 N2Z 0.8801
311 2JX 0.8800
312 API 0.8797
313 6L6 0.8796
314 K82 0.8795
315 ISC 0.8794
316 RP5 0.8794
317 4FE 0.8794
318 D9Z 0.8792
319 CIY 0.8792
320 6FZ 0.8792
321 H2B 0.8791
322 6C5 0.8790
323 11X 0.8789
324 B4O 0.8789
325 36M 0.8788
326 DCN 0.8788
327 XQI 0.8786
328 K7M 0.8785
329 7L4 0.8785
330 5E5 0.8784
331 8NX 0.8782
332 C0W 0.8782
333 KTJ 0.8780
334 ZYC 0.8780
335 5VU 0.8778
336 DXK 0.8777
337 TZM 0.8775
338 MXD 0.8773
339 THM 0.8772
340 SWX 0.8771
341 LL1 0.8770
342 3XH 0.8770
343 MPV 0.8768
344 LJ3 0.8767
345 F4K 0.8766
346 TSS 0.8765
347 2D2 0.8764
348 4TP 0.8762
349 R9J 0.8761
350 56D 0.8759
351 7MX 0.8759
352 HJ8 0.8759
353 S7D 0.8758
354 ZEA 0.8757
355 J6W 0.8754
356 SNV 0.8754
357 1Z6 0.8754
358 89J 0.8750
359 NLA 0.8746
360 ZME 0.8744
361 EXD 0.8743
362 5H6 0.8743
363 DEW 0.8742
364 D6G 0.8741
365 FPL 0.8741
366 P93 0.8741
367 FHV 0.8740
368 6TZ 0.8739
369 L5V 0.8739
370 BZE 0.8738
371 RSV 0.8738
372 QMS 0.8736
373 5AD 0.8736
374 TLM 0.8736
375 BDI 0.8735
376 2FM 0.8732
377 5O6 0.8732
378 YPN 0.8731
379 1BN 0.8731
380 GLU 0.8730
381 0FR 0.8730
382 AYS 0.8726
383 WA2 0.8725
384 EOU 0.8725
385 VM1 0.8724
386 16Z 0.8723
387 KWB 0.8721
388 1ZC 0.8719
389 ZEC 0.8719
390 CH8 0.8717
391 TT4 0.8715
392 55D 0.8714
393 6DP 0.8714
394 GNW 0.8713
395 MJ5 0.8713
396 F5C 0.8713
397 EAT 0.8713
398 SB9 0.8712
399 5F5 0.8711
400 EYY 0.8710
401 E3X 0.8709
402 P2L 0.8706
403 F16 0.8706
404 0ON 0.8706
405 SKF 0.8705
406 3VW 0.8703
407 Q06 0.8702
408 JAH 0.8701
409 AJD 0.8700
410 OGA 0.8700
411 0UL 0.8700
412 HQJ 0.8699
413 JF6 0.8698
414 JDN 0.8697
415 F18 0.8697
416 9ZE 0.8697
417 S0F 0.8696
418 JX7 0.8695
419 36E 0.8694
420 4FF 0.8693
421 MF3 0.8693
422 27K 0.8692
423 6NI 0.8690
424 4EU 0.8690
425 DBS 0.8688
426 F1X 0.8687
427 XIF XYP 0.8684
428 JGB 0.8684
429 XYP XIF 0.8684
430 DHY 0.8684
431 HBI 0.8682
432 2QC 0.8680
433 CTE 0.8680
434 EAJ 0.8679
435 4AB 0.8679
436 NK5 0.8677
437 L03 0.8676
438 2HG 0.8676
439 KG1 0.8675
440 BHS 0.8675
441 LDP 0.8675
442 4GU 0.8674
443 6FG 0.8674
444 DGL 0.8674
445 TL6 0.8672
446 THU 0.8671
447 49O 0.8670
448 80G 0.8668
449 A5P 0.8668
450 SSB 0.8668
451 N3W 0.8668
452 NFZ 0.8667
453 2B4 0.8665
454 F6P 0.8665
455 OJD 0.8663
456 SLS 0.8661
457 VXX 0.8660
458 F40 0.8660
459 2JJ 0.8659
460 HHI 0.8659
461 5F8 0.8659
462 TIA 0.8658
463 5FL 0.8657
464 9PL 0.8655
465 TLG 0.8654
466 JY2 0.8651
467 5SP 0.8651
468 M6D 0.8647
469 AVA 0.8646
470 GVG 0.8645
471 9F8 0.8644
472 J9Q 0.8644
473 ZYQ 0.8642
474 SSC 0.8642
475 6DQ 0.8642
476 26C 0.8642
477 Q04 0.8641
478 M78 0.8641
479 6HX 0.8641
480 2F6 0.8640
481 4AU 0.8639
482 8U3 0.8637
483 A7Q 0.8637
484 SYE 0.8636
485 7BC 0.8635
486 ENV 0.8635
487 NIY 0.8632
488 3Y7 0.8631
489 CR1 0.8630
490 KW7 0.8629
491 PIM 0.8627
492 P4L 0.8625
493 0QW 0.8625
494 49P 0.8625
495 8D6 0.8624
496 WOE 0.8624
497 GLN 0.8622
498 AKD 0.8620
499 96Z 0.8619
500 X6P 0.8617
501 58X 0.8613
502 W29 0.8613
503 7O4 0.8606
504 2K8 0.8606
505 DHI 0.8606
506 RVE 0.8606
507 NFK 0.8599
508 ZZU 0.8597
509 NPL 0.8597
510 FY8 0.8596
511 NAL 0.8594
512 9FH 0.8594
513 WCU 0.8590
514 VC3 0.8588
515 PIR 0.8586
516 P0P 0.8583
517 4CF 0.8582
518 54X 0.8579
519 DMA 0.8578
520 A4V 0.8576
521 DGN 0.8572
522 CS2 0.8571
523 EUH 0.8571
524 TIZ 0.8569
525 JND 0.8568
526 2CZ 0.8566
527 GJB 0.8564
528 AM1 0.8562
529 MJW 0.8561
530 BIO 0.8561
531 3SU 0.8556
532 2IT 0.8555
533 B23 0.8554
534 1ER 0.8548
535 NBV 0.8540
536 1XA 0.8538
537 78U 0.8535
538 OX2 0.8530
539 2JM 0.8527
540 0BP 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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