Receptor
PDB id Resolution Class Description Source Keywords
3SMJ 1.5 Å EC: 2.4.2.30 HUMAN POLY(ADP-RIBOSE) POLYMERASE 14 (PARP14/ARTD8) - CATALY IN COMPLEX WITH A PYRIMIDINE-LIKE INHIBITOR HOMO SAPIENS DIPHTHERIA TOXIN LIKE FOLD TRANSFERASE NAD+ ADP-RIBOSYLATTRANSFERASE-TRANSFERASE INHIBITOR COMPLEX STRUCTURAL GENOMSTRUCTURAL GENOMICS CONSORTIUM SGC
Ref.: FAMILY-WIDE CHEMICAL PROFILING AND STRUCTURAL ANALY PARP AND TANKYRASE INHIBITORS. NAT.BIOTECHNOL. V. 30 283 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FDR A:1;
B:2;
 Valid;
Valid;
 none;
none;
 submit data
206.264 C10 H10 N2 O S CC1=N...
GOL A:1721;
 Invalid;
 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
5LYH 2.17 Å EC: 2.4.2.30 HUMAN PARP14 (ARTD8), CATALYTIC FRAGMENT IN COMPLEX WITH INH HOMO SAPIENS ADP-RIBOSYLATION INHIBITOR COMPLEX TRANSFERASE DOMAIN TRA
Ref.: SMALL MOLECULE MICROARRAY BASED DISCOVERY OF PARP14 INHIBITORS. ANGEW. CHEM. INT. ED. ENGL. V. 56 248 2017
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 6G0W ic50 = 5.2 uM EGW C25 H23 F N2 O3 c1cc(cc(c1....
2 3SMI - QDR C12 H12 N6 O S Cc1cccc2c1....
3 5LXP ic50 = 0.76 uM 7AG C24 H28 N6 O3 C[C@@H](Cn....
4 5LYH ic50 = 0.49 uM 7B8 C24 H27 N7 O7 S c1cc(cc(c1....
5 3SE2 - LDR C13 H9 N O c1ccc2c(c1....
6 6FYM - EBB C15 H14 N4 O S Cc1ccc2c(c....
7 5V7T ic50 = 610 nM 91V C27 H32 N6 O c1ccc(cc1)....
8 3SMJ - FDR C10 H10 N2 O S CC1=Nc2c(c....
9 4F1L - 0RY C11 H10 N2 O4 c1cc(cc(c1....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 6G0W ic50 = 5.2 uM EGW C25 H23 F N2 O3 c1cc(cc(c1....
2 3SMI - QDR C12 H12 N6 O S Cc1cccc2c1....
3 5LXP ic50 = 0.76 uM 7AG C24 H28 N6 O3 C[C@@H](Cn....
4 5LYH ic50 = 0.49 uM 7B8 C24 H27 N7 O7 S c1cc(cc(c1....
5 3SE2 - LDR C13 H9 N O c1ccc2c(c1....
6 6FYM - EBB C15 H14 N4 O S Cc1ccc2c(c....
7 5V7T ic50 = 610 nM 91V C27 H32 N6 O c1ccc(cc1)....
8 3SMJ - FDR C10 H10 N2 O S CC1=Nc2c(c....
9 4F1L - 0RY C11 H10 N2 O4 c1cc(cc(c1....
50% Homology Family (97)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 6QXU ic50 = 7 nM JKN C17 H14 F2 N2 O2 CC(C)(c1cc....
2 3UDD - 34M C20 H19 N5 O3 S Cc1nnc(n1c....
3 4W6E ic50 < 0.003 uM 3J5 C27 H29 N5 O2 Cc1cc(ncc1....
4 4MSK ic50 = 0.063 uM 2C8 C25 H19 N5 O3 c1ccc(cc1)....
5 4OA7 - 2XS C25 H19 N3 O3 c1cc2cccnc....
6 4K4E - K4E C22 H25 Cl N4 O3 COc1ccc(cc....
7 4N4V ic50 = 0.002 uM 2GY C26 H29 N5 O2 CC1([C@@H]....
8 5ECE ic50 = 9 nM 5N2 C26 H22 N6 O2 c1ccc2c(c1....
9 4TOR - IW8 C25 H28 Br N3 O4 S CCN(c1cccc....
10 3UH4 ic50 = 0.011 uM XAV C14 H11 F3 N2 O S c1cc(ccc1c....
11 4I9I ic50 = 0.008 uM 1DY C25 H22 N4 O4 COc1ccccc1....
12 4DVI - 2IW C26 H21 N3 O3 Cc1ccnc2c1....
13 4LI6 - 1XO C23 H21 N3 O2 S c1ccc(cc1)....
14 4MSG ic50 = 0.1 nM 2C6 C25 H25 N5 O3 S c1ccc(cc1)....
15 3UH2 ic50 = 1 uM P34 C17 H17 N3 O2 CN(C)CC(=O....
16 5EBT - 5N8 C23 H17 F5 N6 O2 C[C@H]1Cn2....
17 4MT9 ic50 = 0.1 nM 2D6 C24 H24 N4 O3 S c1ccc2c(c1....
18 4N4T ic50 = 0.049 uM 2GV C26 H23 N5 O2 CC1([C@@H]....
19 4N3R ic50 = 0.15 uM 2GU C26 H22 F N5 O2 CC1(CC(=O)....
20 4LI7 - 1XP C23 H23 Cl F N3 O3 COc1cc(c(c....
21 4KRS ic50 = 0.299 uM 1SX C15 H18 N4 O S CC(C)(C)c1....
22 4TOS - 355 C33 H33 N5 O4 CC1=CC=CC2....
23 4BUV ic50 = 21 nM 16I C19 H13 N3 O2 S c1ccc2c(c1....
24 4BJ9 ic50 = 45 nM UHB C24 H27 N9 O6 c1cc2c(c(c....
25 4BU3 ic50 = 59 nM F40 C14 H10 N2 O c1ccc(cc1)....
26 3P0Q - NNL C14 H14 Cl N5 Cc1cc(c2nn....
27 4UFU ic50 = 10 nM 2ZI C16 H11 F3 N2 O Cc1cccc2c1....
28 4UVX ic50 = 11 nM H2W C15 H9 Cl F N O c1cc2c(c(c....
29 4UFY ic50 = 7 nM M3W C16 H14 N2 O Cc1ccc(cc1....
30 4BJC ic50 = 14 nM RPB C19 H18 F N3 O CNCc1ccc(c....
31 4UVZ - 5NN C15 H12 N2 O c1ccc(cc1)....
32 5AEH ic50 = 0.037 uM 8IR C25 H19 Cl N4 O3 COc1ccc(cc....
33 4UVV ic50 = 32 nM W8L C16 H12 Cl N O Cc1cccc2c1....
34 5OWT - F37 C18 H14 N4 O3 C[C@@]1(C(....
35 4UHG ic50 = 540 nM SZ5 C15 H12 N2 O Cc1ccc(cc1....
36 4UVY ic50 = 5.5 nM SGW C16 H12 Cl N O2 COc1cccc2c....
37 5NUT ic50 = 12 nM 9A8 C17 H16 N2 O2 CC(C)Oc1cc....
38 4BU8 ic50 = 28 nM 27F C15 H9 N3 O c1ccc2c(c1....
39 4UVW ic50 = 19 nM NYJ C17 H15 N O Cc1cccc2c1....
40 5NOB ic50 = 0.0063 uM 92T C24 H17 Cl N8 O c1ccc(c(c1....
41 4BUX ic50 = 34 nM F35 C18 H14 N4 O3 c1ccc2c(c1....
42 4BJB ic50 = 219 nM P34 C17 H17 N3 O2 CN(C)CC(=O....
43 3P0N - BPU C11 H7 Br N2 O c1cc2n(c1)....
44 3U9Y - 09L C24 H23 F N4 O3 c1ccc2c(c1....
45 5AL5 ic50 = 71 nM JL9 C18 H23 N5 O c1cnccc1CN....
46 4BUW ic50 = 15 nM F33 C17 H13 N3 O3 c1ccc2c(c1....
47 4UVT - G1O C10 H10 N2 O CC1=CNC(=O....
48 4BUE ic50 = 71 nM JQF C19 H19 N3 O2 CC(C)CC(=O....
49 5AL4 ic50 = 300 nM WLH C13 H20 N4 O CN1CCN(CC1....
50 4W5I ic50 = 97 nM 3GX C15 H16 N2 O CN1CCCC2=C....
51 4BUD ic50 = 5 nM 29F C18 H18 N2 O CC(C)(C)c1....
52 4BFP - SWY C29 H23 N5 O3 S COc1ccc(cc....
53 4UVU ic50 = 1200 nM U1T C21 H22 N2 O Cc1cccc2c1....
54 5AKW ic50 = 410 nM NKI C14 H11 Cl N2 O c1ccc2c(c1....
55 5AL2 ic50 = 360 nM O53 C16 H17 N3 O CC(C)c1ccc....
56 4BS4 ic50 = 72 nM A64 C18 H16 O2 CC(C)c1ccc....
57 5AL3 ic50 = 11000 nM TGW C14 H11 Cl2 N3 O CN1c2c(ccc....
58 4UVN - CDJ C15 H11 Cl N2 O c1cc2c(c(c....
59 4BUS ic50 = 176 nM 32F C16 H12 N2 O4 c1ccc2c(c1....
60 3KR8 Kd = 8 nM XAV C14 H11 F3 N2 O S c1cc(ccc1c....
61 4M7B ic50 = 200 nM 28C C14 H15 N5 O Cc1cc(c2nn....
62 5AL1 ic50 = 53000 nM GN5 C17 H19 N3 O CC(C)(C)c1....
63 4BUU ic50 = 56 nM F38 C15 H13 N3 O3 S c1ccc2c(c1....
64 4UVS - R4E C14 H18 N2 O CCCCCC1=Cc....
65 4BUY ic50 = 5 nM F37 C18 H14 N4 O3 C[C@@]1(C(....
66 4UVO - 5WW C16 H14 N2 O2 COc1ccc(cc....
67 4BU9 ic50 = 9 nM 08C C15 H12 N2 O2 COc1ccc(cc....
68 5OWS - KC8 C18 H16 N4 O2 C[C@@]1(CN....
69 3P0P - NNF C15 H17 F N4 O CC1=CC(=O)....
70 4BU6 ic50 = 73 nM RGK C14 H11 N3 O c1ccc2c(c1....
71 3MHJ - M3F C14 H9 F3 N2 O Cc1cc(nc2c....
72 4UVL - 32X C9 H8 N2 O c1cc2c(c(c....
73 4BUF ic50 = 38 nM F36 C16 H12 N2 O2 CC(=O)c1cc....
74 5AKU ic50 = 150 nM 29F C18 H18 N2 O CC(C)(C)c1....
75 4BUA ic50 = 35 nM 91F C15 H12 N2 O S CSc1ccc(cc....
76 4BU5 ic50 = 102 nM 3F4 C14 H10 N2 O2 c1ccc2c(c1....
77 4UX4 - E9L C16 H15 N2 O Cc1ccc(cc1....
78 4BU7 ic50 = 11 nM 25F C14 H9 Br N2 O c1ccc2c(c1....
79 3U9H - NCA C6 H6 N2 O c1cc(cnc1)....
80 3UA9 - IWR C25 H19 N3 O3 c1cc2cccnc....
81 4BUT ic50 = 12 nM 31F C14 H11 N3 O3 S c1ccc2c(c1....
82 4BUI ic50 = 23 nM W2E C16 H12 N2 O3 COC(=O)c1c....
83 3SE2 - LDR C13 H9 N O c1ccc2c(c1....
84 6FYM - EBB C15 H14 N4 O S Cc1ccc2c(c....
85 5V7T ic50 = 610 nM 91V C27 H32 N6 O c1ccc(cc1)....
86 3SMJ - FDR C10 H10 N2 O S CC1=Nc2c(c....
87 4F1L - 0RY C11 H10 N2 O4 c1cc(cc(c1....
88 4J1Z - 495 C8 H5 Cl N2 O c1ccc2c(c1....
89 4J22 Kd = 0.018 uM AJ7 C23 H24 Cl N3 O3 CC1=CC(=O)....
90 4J3L Kd = 0.016 uM AJ5 C20 H19 Cl N2 O3 CC1=CC(=O)....
91 3MHK - P4L C12 H11 N3 O S c1ccnc(c1)....
92 4J3M ic50 = 0.021 uM AJ8 C17 H12 Cl N O3 CC1=CC(=O)....
93 4IUE Kd = 0.28 uM AJ4 C16 H12 F N O CC1=CC(=O)....
94 4J21 Kd = 0.039 uM AJ6 C16 H13 Cl N2 O CC1=CC(=O)....
95 3W51 ic50 = 12 uM AJ2 C10 H9 N O Cc1cc(nc2c....
96 6EK3 - OUL C14 H12 N2 O3 c1cc(ccc1C....
97 4F0E - 0RU C14 H12 N4 O S Cc1cccc2c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FDR; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FDR 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: FDR; Similar ligands found: 1085
No: Ligand Similarity coefficient
1 PH2 0.9774
2 2K8 0.9764
3 HHR 0.9705
4 QX4 0.9705
5 B62 0.9701
6 6ME 0.9689
7 HHS 0.9688
8 44V 0.9675
9 ZYR 0.9675
10 44W 0.9670
11 DQU 0.9666
12 OTW 0.9655
13 ZZZ 0.9655
14 CLZ 0.9653
15 XHP 0.9649
16 2KA 0.9638
17 BEA 0.9624
18 PRF 0.9619
19 8HC 0.9611
20 0FK 0.9605
21 N0Z 0.9577
22 0FO 0.9572
23 MVN 0.9564
24 1HN 0.9532
25 CH9 0.9515
26 4RU 0.9514
27 GJP 0.9513
28 344 0.9504
29 B56 0.9486
30 9R5 0.9484
31 4JQ 0.9483
32 THA 0.9482
33 N8Y 0.9479
34 AP4 0.9476
35 2FQ 0.9474
36 MQN 0.9471
37 AA 0.9457
38 TT4 0.9456
39 97T 0.9453
40 68A 0.9447
41 0TU 0.9441
42 15E 0.9441
43 4YO 0.9437
44 5RO 0.9434
45 27B 0.9432
46 46P 0.9430
47 QBK 0.9430
48 9FL 0.9429
49 BNX 0.9423
50 TGX 0.9422
51 8WO 0.9419
52 JG8 0.9418
53 ANF 0.9409
54 1IT 0.9404
55 CK2 0.9401
56 H5B 0.9395
57 URC 0.9394
58 XAZ 0.9384
59 9CA 0.9382
60 3QV 0.9382
61 J9Q 0.9377
62 PQ0 0.9375
63 0P6 0.9371
64 8NX 0.9370
65 8MO 0.9368
66 DNA 0.9360
67 Q71 0.9348
68 A29 0.9347
69 8ZE 0.9347
70 537 0.9346
71 BZJ 0.9342
72 86J 0.9337
73 MS9 0.9336
74 K97 0.9334
75 TTY 0.9333
76 1KP 0.9332
77 B5D 0.9330
78 12T 0.9329
79 0JD 0.9328
80 TTL 0.9328
81 M1Q 0.9322
82 KUF 0.9322
83 AN3 0.9321
84 PEY 0.9315
85 0N7 0.9315
86 MSR 0.9315
87 ESI 0.9315
88 NAG 0.9312
89 MUA 0.9309
90 8CM 0.9308
91 X0U 0.9307
92 DRG 0.9302
93 4KL 0.9298
94 4BY 0.9297
95 2AK 0.9296
96 J9W 0.9296
97 HQD 0.9296
98 ROI 0.9295
99 5TY 0.9294
100 E1T 0.9291
101 15N 0.9291
102 BPY 0.9290
103 4HC 0.9288
104 2HQ 0.9286
105 ST2 0.9285
106 CWS 0.9284
107 1A7 0.9283
108 DX3 0.9283
109 Q77 0.9281
110 6QF 0.9280
111 2FY 0.9279
112 BDP 0.9277
113 BTY 0.9276
114 Z5P 0.9276
115 5QY 0.9276
116 JU2 0.9275
117 TWO 0.9273
118 TIY 0.9272
119 PJW 0.9272
120 30G 0.9271
121 Q24 0.9268
122 75K 0.9268
123 VXX 0.9267
124 UNJ 0.9265
125 8TX 0.9263
126 N2I 0.9261
127 4TU 0.9260
128 NID 0.9260
129 7AP 0.9257
130 GDL 0.9257
131 3J8 0.9256
132 J6W 0.9256
133 VNL 0.9255
134 CPZ 0.9255
135 AJV 0.9251
136 PE0 0.9248
137 AJ2 0.9248
138 OQC 0.9247
139 HNT 0.9247
140 UFO 0.9244
141 6VD 0.9244
142 52C 0.9243
143 AZ9 0.9242
144 AQO 0.9241
145 94W 0.9241
146 VK3 0.9237
147 7B3 0.9234
148 A5E 0.9233
149 6FB 0.9233
150 9UL 0.9233
151 E1K 0.9231
152 ESP 0.9231
153 KMY 0.9230
154 8XL 0.9229
155 0FN 0.9228
156 M6N 0.9228
157 20J 0.9227
158 4MU 0.9227
159 8W9 0.9226
160 3ZB 0.9226
161 AJY 0.9225
162 MEW 0.9225
163 2F6 0.9225
164 ANC 0.9224
165 K2T 0.9224
166 BGC 0.9223
167 6NT 0.9222
168 9ZE 0.9217
169 JF2 0.9217
170 FBB 0.9216
171 M5K 0.9216
172 DNF 0.9216
173 ODO 0.9216
174 APZ 0.9214
175 E7Z 0.9213
176 TZF 0.9212
177 MAQ 0.9210
178 1F1 0.9210
179 54X 0.9210
180 SNU 0.9209
181 SLS 0.9209
182 8WT 0.9207
183 0HN 0.9204
184 NQ 0.9204
185 LDR 0.9203
186 3PF 0.9203
187 C1M 0.9201
188 3Z8 0.9201
189 CWJ 0.9198
190 6KT 0.9198
191 DRL 0.9197
192 209 0.9197
193 KW8 0.9196
194 HBO 0.9195
195 ESX 0.9195
196 HA5 0.9194
197 MQG 0.9194
198 3NY 0.9193
199 7ME 0.9192
200 4BL 0.9190
201 A2G 0.9189
202 BBK 0.9188
203 GF4 0.9187
204 7W1 0.9187
205 5QX 0.9186
206 KJH 0.9186
207 9KT 0.9185
208 3R4 0.9184
209 MO8 0.9184
210 SKA 0.9184
211 92K 0.9183
212 0FR 0.9183
213 RXA 0.9183
214 B60 0.9182
215 4Z4 0.9182
216 5JQ 0.9181
217 KDV 0.9180
218 0HO 0.9180
219 H42 0.9180
220 12Q 0.9179
221 GNM 0.9179
222 MOK 0.9178
223 SYV 0.9177
224 IV2 0.9174
225 AZ8 0.9174
226 9AP 0.9173
227 2ZM 0.9171
228 KYA 0.9169
229 JF1 0.9168
230 BZ2 0.9168
231 B55 0.9167
232 LI6 0.9167
233 2LY 0.9167
234 ICO 0.9167
235 5NS 0.9165
236 5JL 0.9165
237 92P 0.9165
238 HQT 0.9164
239 2QC 0.9163
240 BK9 0.9162
241 6NI 0.9162
242 INO 0.9162
243 HRM 0.9159
244 D48 0.9159
245 GVG 0.9159
246 4ME 0.9157
247 61M 0.9155
248 V1T 0.9154
249 LZ2 0.9154
250 0F9 0.9153
251 BPU 0.9152
252 93K 0.9151
253 J5I 0.9150
254 ES2 0.9150
255 DHB 0.9150
256 NDG 0.9149
257 G3E 0.9147
258 B57 0.9147
259 INE 0.9144
260 GXY 0.9143
261 5VL 0.9141
262 TOF 0.9139
263 NGA 0.9139
264 KJU 0.9138
265 4NC 0.9137
266 EN1 0.9137
267 K44 0.9135
268 5RN 0.9135
269 5NI 0.9134
270 SE2 0.9133
271 C2Y 0.9133
272 39O 0.9132
273 KT7 0.9130
274 36Y 0.9130
275 H4B 0.9130
276 GCU 0.9129
277 0XT 0.9129
278 BIO 0.9127
279 795 0.9127
280 363 0.9125
281 CTL 0.9124
282 4AA 0.9123
283 3Y7 0.9122
284 KTJ 0.9122
285 428 0.9122
286 PXL 0.9121
287 VOH 0.9119
288 BA5 0.9119
289 APS 0.9118
290 DPZ 0.9117
291 680 0.9116
292 2HO 0.9115
293 ARP 0.9113
294 COU 0.9113
295 XM5 0.9113
296 8NB 0.9111
297 OCH 0.9111
298 GHM 0.9111
299 R9Y 0.9110
300 DPT 0.9110
301 TYL 0.9109
302 36R 0.9108
303 R8V 0.9108
304 5WU 0.9107
305 RA7 0.9106
306 G3F 0.9106
307 6FZ 0.9105
308 FDB 0.9105
309 SOR 0.9104
310 DIN 0.9103
311 2EC 0.9103
312 HQJ 0.9103
313 HBI 0.9102
314 H2B 0.9102
315 W81 0.9102
316 8IG 0.9102
317 2HU 0.9101
318 ONR 0.9101
319 28N 0.9101
320 4FS 0.9101
321 5LA 0.9100
322 4I8 0.9100
323 FA0 0.9099
324 NCT 0.9098
325 3A9 0.9097
326 PNZ 0.9096
327 CLW 0.9095
328 PYQ 0.9095
329 S60 0.9093
330 1P8 0.9092
331 MYJ 0.9092
332 ES5 0.9090
333 SKM 0.9088
334 G12 0.9087
335 FHB 0.9086
336 NDH 0.9084
337 F4K 0.9082
338 03V 0.9082
339 2AQ 0.9082
340 HX4 0.9081
341 ET2 0.9080
342 ABI 0.9080
343 BGU 0.9079
344 NNO 0.9076
345 SYA 0.9075
346 ANN 0.9075
347 505 0.9072
348 WSD 0.9072
349 5VM 0.9071
350 K3Q 0.9070
351 IWT 0.9070
352 5NE 0.9070
353 M2K 0.9070
354 HKD 0.9067
355 GCS 0.9066
356 NFM 0.9065
357 4JT 0.9064
358 GDE 0.9064
359 A7W 0.9062
360 LT2 0.9061
361 H33 0.9060
362 DOB 0.9060
363 0BP 0.9058
364 5GU 0.9057
365 JB5 0.9056
366 CHB 0.9053
367 XDK 0.9052
368 4V2 0.9051
369 2D0 0.9051
370 L22 0.9050
371 N91 0.9050
372 VGD 0.9050
373 9FE 0.9048
374 MRW 0.9048
375 XX2 0.9048
376 JDN 0.9047
377 X11 0.9047
378 4M0 0.9045
379 DDU 0.9044
380 2A9 0.9044
381 4A3 0.9042
382 CTS 0.9042
383 3MG 0.9042
384 3HM 0.9041
385 2HC 0.9040
386 ICB 0.9039
387 MD6 0.9038
388 EXD 0.9037
389 8S0 0.9037
390 2GQ 0.9036
391 HJH 0.9036
392 ZSP 0.9036
393 3VX 0.9034
394 EE8 0.9034
395 4AB 0.9033
396 37T 0.9033
397 1Z6 0.9031
398 6RQ 0.9029
399 GSY 0.9029
400 XIY 0.9029
401 6TZ 0.9029
402 7VP 0.9026
403 E7S 0.9026
404 M4E 0.9025
405 BHA 0.9025
406 EA1 0.9024
407 FLV 0.9024
408 GZ2 0.9023
409 Q7A 0.9022
410 0NX 0.9021
411 TXW 0.9021
412 S0E 0.9021
413 BNL 0.9017
414 P9P 0.9015
415 ISN 0.9014
416 CFA 0.9013
417 OA3 0.9012
418 3DM 0.9012
419 JB8 0.9011
420 SG2 0.9011
421 5WV 0.9010
422 1QP 0.9009
423 L5V 0.9009
424 2BG 0.9008
425 ZVO 0.9008
426 49O 0.9006
427 I3E 0.9006
428 KKN 0.9004
429 X8D 0.9002
430 JAW 0.9001
431 JAH 0.9000
432 C9E 0.8998
433 BQ2 0.8998
434 L99 0.8996
435 549 0.8996
436 C53 0.8996
437 R20 0.8996
438 CKA 0.8994
439 173 0.8993
440 GLC 0.8993
441 5WY 0.8993
442 5CU 0.8992
443 LNR 0.8991
444 5GV 0.8991
445 QUS 0.8991
446 D3G 0.8990
447 AY4 0.8990
448 BIK 0.8989
449 I3A 0.8989
450 NDM 0.8988
451 ES7 0.8987
452 JND 0.8987
453 0W8 0.8987
454 5XC 0.8987
455 A7H 0.8986
456 GO2 0.8986
457 RH1 0.8982
458 PRZ 0.8981
459 SNO 0.8981
460 CN0 0.8978
461 DHK 0.8977
462 0W1 0.8976
463 EVA 0.8973
464 6BL 0.8972
465 JTA 0.8972
466 DHQ 0.8972
467 XQ0 0.8971
468 F2W 0.8970
469 DEE 0.8970
470 BZ3 0.8969
471 3BU 0.8969
472 GAL 0.8968
473 5OB 0.8968
474 CFF 0.8968
475 069 0.8967
476 NGT 0.8966
477 226 0.8966
478 QSB 0.8964
479 DBH 0.8964
480 MPK 0.8961
481 7MU 0.8960
482 8XQ 0.8960
483 3HA 0.8960
484 ASC 0.8959
485 1M2 0.8959
486 32X 0.8958
487 GZL 0.8958
488 2O6 0.8958
489 IAC 0.8957
490 GCB 0.8957
491 FHC 0.8956
492 R6T 0.8954
493 3IT 0.8954
494 X48 0.8953
495 92G 0.8953
496 GNV 0.8953
497 ZEC 0.8953
498 FQX 0.8950
499 SHA 0.8950
500 4P5 0.8948
501 JRB 0.8947
502 F69 0.8947
503 K32 0.8947
504 7W4 0.8946
505 JR2 0.8946
506 AMH 0.8945
507 WS7 0.8944
508 KJY 0.8943
509 L14 0.8941
510 KIB 0.8939
511 F4E 0.8938
512 NOJ 0.8937
513 PIM 0.8936
514 S2P 0.8935
515 MNS 0.8934
516 BHS 0.8934
517 X05 0.8933
518 PPY 0.8933
519 BZE 0.8933
520 3GQ 0.8932
521 7ZE 0.8932
522 I4D 0.8931
523 4AN 0.8930
524 3VS 0.8930
525 CWM 0.8928
526 PX7 0.8928
527 PQK 0.8926
528 9TW 0.8926
529 EOL 0.8925
530 PIY 0.8924
531 2JK 0.8924
532 TEP 0.8921
533 7MX 0.8921
534 GTR 0.8920
535 MPV 0.8919
536 LQ2 0.8919
537 3M0 0.8919
538 RM1 0.8918
539 SKF 0.8917
540 LGC 0.8917
541 1SQ 0.8915
542 CX6 0.8913
543 DBJ 0.8913
544 IHB 0.8913
545 67N 0.8912
546 BHQ 0.8911
547 54Z 0.8911
548 MAJ 0.8911
549 LDP 0.8910
550 3WA 0.8908
551 LL1 0.8908
552 7HQ 0.8907
553 D07 0.8907
554 X0V 0.8907
555 3XR 0.8906
556 3DO 0.8906
557 2PK 0.8906
558 5OO 0.8905
559 4NB 0.8904
560 JTH 0.8904
561 5VJ 0.8904
562 4WL 0.8902
563 7VS 0.8901
564 9KZ 0.8901
565 MUR 0.8900
566 ES0 0.8899
567 24W 0.8899
568 7WR 0.8898
569 M1Z 0.8897
570 M5H 0.8896
571 HBD 0.8896
572 1LQ 0.8895
573 FOT 0.8895
574 RNO 0.8895
575 9LI 0.8894
576 1L5 0.8894
577 PHB 0.8892
578 E35 0.8890
579 86L 0.8890
580 QPR 0.8890
581 NTZ 0.8890
582 ZME 0.8889
583 AX3 0.8889
584 6E8 0.8888
585 F6P 0.8888
586 N7I 0.8888
587 HLZ 0.8887
588 Q88 0.8887
589 IFP 0.8885
590 FF2 0.8883
591 XQK 0.8883
592 AMR 0.8882
593 878 0.8882
594 PDC 0.8882
595 1WC 0.8882
596 2ZQ 0.8881
597 V55 0.8881
598 BP7 0.8880
599 I6G 0.8880
600 PXM 0.8880
601 PAB 0.8878
602 4NM 0.8877
603 XCG 0.8877
604 4ZA 0.8876
605 QBS 0.8876
606 SWA 0.8875
607 X0W 0.8874
608 FTV 0.8873
609 4M4 0.8873
610 K25 0.8872
611 Q6T 0.8871
612 0J4 0.8870
613 5NU 0.8867
614 RUY 0.8866
615 PRL 0.8865
616 3F0 0.8865
617 EMZ 0.8864
618 9DG 0.8864
619 7I2 0.8862
620 K82 0.8862
621 NPO 0.8862
622 JP2 0.8861
623 QQQ 0.8861
624 SHG 0.8860
625 E3X 0.8858
626 2AL 0.8858
627 HIS 0.8858
628 M1A 0.8855
629 SXS 0.8855
630 HJP 0.8855
631 G14 0.8855
632 S8A 0.8853
633 GCW 0.8853
634 ITE 0.8851
635 FE DB1 0.8851
636 IOS 0.8851
637 UNC 0.8851
638 6X9 0.8850
639 7O4 0.8850
640 UAN 0.8849
641 F9Y 0.8849
642 N3W 0.8849
643 TMG 0.8849
644 DNC 0.8848
645 BPN 0.8848
646 E5X 0.8847
647 9MG 0.8847
648 QIV 0.8846
649 PD2 0.8845
650 F31 0.8844
651 K7H 0.8843
652 ES1 0.8842
653 F0J 0.8842
654 SWX 0.8842
655 PBA 0.8842
656 K37 0.8841
657 1NP 0.8840
658 JBH 0.8840
659 K22 0.8840
660 2PV 0.8840
661 AZA 0.8840
662 OVM 0.8839
663 IQ5 0.8839
664 PHH 0.8838
665 4MA 0.8838
666 KTW 0.8835
667 1P7 0.8834
668 L46 0.8832
669 4YS 0.8831
670 ALL 0.8831
671 PBZ 0.8831
672 MR1 0.8830
673 LKA 0.8829
674 7B4 0.8828
675 AC6 0.8828
676 80G 0.8827
677 O72 0.8827
678 JY4 0.8826
679 IQZ 0.8825
680 MWP 0.8825
681 1LM 0.8825
682 SRO 0.8825
683 HNQ 0.8824
684 5SG 0.8822
685 FGZ 0.8821
686 GO8 0.8820
687 O2A 0.8820
688 TSS 0.8819
689 EKZ 0.8818
690 GUN 0.8818
691 4BZ 0.8818
692 0J5 0.8817
693 1VK 0.8817
694 XAN 0.8815
695 5Q0 0.8814
696 5F5 0.8814
697 5IQ 0.8813
698 EUE 0.8813
699 NLA 0.8811
700 EGR 0.8809
701 P7Y 0.8809
702 4V6 0.8809
703 QSH 0.8809
704 4LW 0.8809
705 4FA 0.8809
706 DK1 0.8808
707 CHQ 0.8808
708 3ID 0.8807
709 GJS 0.8807
710 MXD 0.8806
711 RKV 0.8806
712 4SX 0.8806
713 6SD 0.8806
714 8D6 0.8806
715 QAS 0.8806
716 JBQ 0.8804
717 PFB 0.8804
718 DUR 0.8803
719 JPZ 0.8802
720 HQY 0.8802
721 JYB 0.8802
722 4XV 0.8802
723 VC3 0.8802
724 Z82 0.8802
725 CXH 0.8800
726 OW7 0.8800
727 ZZA 0.8799
728 L1O 0.8798
729 22L 0.8798
730 2H5 0.8798
731 VM1 0.8798
732 FUD 0.8798
733 1XA 0.8798
734 1Y6 0.8798
735 HC4 0.8798
736 GM7 0.8797
737 PUE 0.8797
738 CFI 0.8797
739 5WX 0.8796
740 6M1 0.8796
741 IBM 0.8795
742 TH7 0.8795
743 5V7 0.8794
744 Y3L 0.8793
745 LEL 0.8793
746 5GT 0.8792
747 AKH 0.8791
748 DCZ 0.8790
749 HHA 0.8790
750 8OZ 0.8790
751 F12 0.8790
752 HA7 0.8789
753 THM 0.8788
754 H4E 0.8788
755 78Y 0.8788
756 GTC 0.8788
757 3VQ 0.8788
758 826 0.8788
759 GVY 0.8788
760 N2M 0.8787
761 OTR 0.8786
762 4HB 0.8785
763 N5J 0.8785
764 3AE 0.8784
765 FZM 0.8783
766 4VS 0.8781
767 ISZ 0.8781
768 SOE 0.8780
769 M3H 0.8780
770 B53 0.8780
771 K68 0.8779
772 2GS 0.8779
773 42A 0.8778
774 ST1 0.8777
775 NIZ 0.8777
776 HJ7 0.8776
777 EAE 0.8776
778 IGA 0.8776
779 C8O 0.8775
780 GI3 0.8775
781 ADA 0.8774
782 DMD 0.8773
783 K17 0.8773
784 F5C 0.8772
785 174 0.8772
786 XFE 0.8772
787 EWG 0.8771
788 492 0.8770
789 2UZ 0.8770
790 ASO 0.8770
791 M6Z 0.8769
792 XDE 0.8769
793 ALE 0.8769
794 YH7 0.8769
795 LAO 0.8768
796 A5H 0.8768
797 L1T 0.8766
798 PFL 0.8766
799 RD4 0.8765
800 EVF 0.8764
801 GNY 0.8763
802 OMD 0.8763
803 YZM 0.8763
804 YRL 0.8763
805 GZ8 0.8763
806 42C 0.8762
807 18N 0.8762
808 JGB 0.8761
809 TBS 0.8761
810 GTQ 0.8760
811 R2P 0.8760
812 6CS 0.8760
813 7MK 0.8759
814 IJZ 0.8759
815 82I 0.8759
816 M45 0.8758
817 M3E 0.8758
818 HTP 0.8758
819 ENO 0.8758
820 BHO 0.8758
821 9BF 0.8757
822 2D3 0.8756
823 IPD 0.8756
824 Q02 0.8756
825 NDD 0.8755
826 IPB 0.8754
827 D2G 0.8754
828 OW4 0.8754
829 7VJ 0.8754
830 21D 0.8753
831 67X 0.8752
832 CCV 0.8751
833 JBZ 0.8749
834 4FH 0.8749
835 582 0.8749
836 GRE 0.8749
837 4NO 0.8748
838 ODK 0.8747
839 AES 0.8747
840 UFV 0.8746
841 WOO 0.8746
842 N2Z 0.8745
843 141 0.8744
844 4HM 0.8744
845 P9E 0.8743
846 JUG 0.8741
847 2J1 0.8741
848 36M 0.8737
849 WS6 0.8736
850 G1O 0.8736
851 QMS 0.8736
852 ABV 0.8735
853 8H8 0.8735
854 692 0.8735
855 4XS 0.8734
856 QAT 0.8733
857 LZM 0.8733
858 RZH 0.8732
859 259 0.8731
860 N4E 0.8730
861 78U 0.8730
862 OCZ 0.8726
863 E3D 0.8725
864 C2U 0.8725
865 64C 0.8723
866 3R6 0.8721
867 UEG 0.8721
868 ADZ 0.8721
869 5F8 0.8721
870 KYN 0.8720
871 X09 0.8720
872 7NI 0.8720
873 5B1 0.8719
874 LR8 0.8718
875 HMH 0.8717
876 G1P 0.8714
877 A2F 0.8713
878 FYU 0.8712
879 JXW 0.8712
880 ZYQ 0.8711
881 APG 0.8711
882 H7Y 0.8710
883 1XM 0.8709
884 II4 0.8708
885 56D 0.8708
886 H62 0.8708
887 BCP 0.8708
888 M4S 0.8707
889 BOA 0.8707
890 6F0 0.8706
891 DHC 0.8705
892 CFP 0.8705
893 4JC 0.8705
894 QIC 0.8703
895 495 0.8703
896 LZB 0.8703
897 FBF 0.8702
898 293 0.8702
899 EJZ 0.8701
900 5RG 0.8700
901 GLA 0.8699
902 BSP 0.8698
903 5M0 0.8698
904 EV3 0.8698
905 BVA 0.8698
906 MP5 0.8697
907 LR5 0.8696
908 MM2 0.8696
909 S98 0.8695
910 M78 0.8695
911 KP2 0.8693
912 06B 0.8693
913 6DP 0.8693
914 3FH 0.8693
915 PMP 0.8692
916 KJ5 0.8690
917 SN4 0.8688
918 DX4 0.8688
919 HH8 0.8688
920 FBM 0.8687
921 BZX 0.8687
922 PHU 0.8686
923 G2F 0.8686
924 MT0 0.8686
925 4XH 0.8683
926 54G 0.8682
927 JAE 0.8682
928 PHE 0.8681
929 DIU 0.8681
930 FBT 0.8681
931 AX7 0.8680
932 JA8 0.8679
933 STT 0.8677
934 36E 0.8676
935 M5N 0.8675
936 1X7 0.8674
937 6AP 0.8674
938 HX3 0.8673
939 ZZ8 0.8673
940 ORO 0.8671
941 SJK 0.8670
942 EQT 0.8670
943 2FX 0.8670
944 HHT 0.8669
945 M0Q 0.8669
946 X04 0.8667
947 K4V 0.8666
948 DHY 0.8666
949 JVN 0.8665
950 S7J 0.8664
951 61O 0.8664
952 NGO 0.8664
953 TCR 0.8662
954 AMQ 0.8662
955 0UL 0.8662
956 261 0.8659
957 YQA 0.8658
958 2MI 0.8658
959 39U 0.8658
960 CTN 0.8658
961 OVP 0.8657
962 YZ9 0.8657
963 NSP 0.8657
964 AC2 0.8657
965 DHR 0.8657
966 M0W 0.8656
967 AZG 0.8655
968 12B 0.8655
969 PH3 0.8655
970 GYE 0.8655
971 PLP 0.8652
972 2WU 0.8651
973 MUK 0.8651
974 4J8 0.8651
975 11S 0.8649
976 F1A 0.8648
977 F60 0.8646
978 5MI 0.8646
979 6R8 0.8645
980 IL5 0.8644
981 HLD 0.8644
982 GIM 0.8641
983 KOJ 0.8641
984 A1Y 0.8640
985 5H1 0.8640
986 091 0.8638
987 14O 0.8638
988 2D2 0.8635
989 2K4 0.8635
990 HZQ 0.8633
991 GT0 0.8633
992 5MK 0.8631
993 HHI 0.8631
994 CNI 0.8631
995 290 0.8629
996 P81 0.8628
997 KGK 0.8625
998 XRS 0.8624
999 4A5 0.8624
1000 K34 0.8623
1001 AEZ 0.8623
1002 XXP 0.8622
1003 270 0.8620
1004 FK1 0.8620
1005 Z21 0.8619
1006 1GN 0.8619
1007 M1H 0.8619
1008 2CK 0.8618
1009 MZM 0.8618
1010 4FF 0.8617
1011 ES9 0.8616
1012 J9T 0.8615
1013 149 0.8614
1014 OXC 0.8614
1015 774 0.8613
1016 LIP 0.8613
1017 2ZV 0.8613
1018 4NP 0.8612
1019 MM1 0.8612
1020 5FL 0.8611
1021 A65 0.8609
1022 P80 0.8608
1023 H4N 0.8607
1024 FBG 0.8607
1025 J9N 0.8607
1026 4NZ 0.8606
1027 GAF 0.8604
1028 FP1 0.8602
1029 PO6 0.8600
1030 XQG 0.8600
1031 3W8 0.8599
1032 RPQ 0.8598
1033 VUP 0.8597
1034 NRA 0.8595
1035 MT8 0.8594
1036 39A 0.8593
1037 MVL 0.8592
1038 5MB 0.8592
1039 ZZT 0.8592
1040 NVU 0.8591
1041 DE5 0.8589
1042 DC5 0.8589
1043 6M9 0.8588
1044 DBX 0.8587
1045 MXX 0.8587
1046 6MW 0.8586
1047 6AI 0.8586
1048 K6X 0.8585
1049 9TZ 0.8583
1050 GCV 0.8581
1051 MS0 0.8581
1052 2FG 0.8579
1053 TYR 0.8579
1054 4LV 0.8576
1055 HMU 0.8575
1056 QNA 0.8574
1057 4VY 0.8574
1058 QX2 0.8568
1059 8NY 0.8567
1060 FCR 0.8565
1061 9NB 0.8563
1062 DXK 0.8563
1063 7MW 0.8563
1064 24B 0.8562
1065 L7T 0.8559
1066 RMN 0.8559
1067 QMR 0.8558
1068 JBK 0.8558
1069 FMQ 0.8558
1070 EV2 0.8557
1071 CSN 0.8556
1072 QUZ 0.8556
1073 MBG 0.8555
1074 NPY 0.8554
1075 JXN 0.8552
1076 QWW 0.8552
1077 CIT 0.8551
1078 5TZ 0.8550
1079 0CU 0.8550
1080 BNT 0.8549
1081 0LO 0.8545
1082 4MB 0.8545
1083 TQU 0.8541
1084 QWN 0.8530
1085 54E 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5LYH; Ligand: 7B8; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5lyh.bio2) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 6W65 T9D 21.7617
Pocket No.: 2; Query (leader) PDB : 5LYH; Ligand: 7B8; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 5lyh.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 6W65 T9D 21.7617
2 6W65 T9D 21.7617
APoc FAQ
Feedback