Receptor
PDB id Resolution Class Description Source Keywords
5mpz 1.4 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH CBP00 HOMO SAPIENS CREBBP BROMODOMAIN INHIBITOR TRANSCRIPTION
Ref.: VIRTUAL SCREEN TO NMR (VS2NMR): DISCOVERY OF FRAGME FOR THE CBP BROMODOMAIN. BIOORG. MED. CHEM. LETT. V. 27 2472 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4I8 A:1202;
A:1201;
 Valid;
Valid;
 none;
none;
 Kd = 85 uM
193.156 C9 H7 N O4 COC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6AY3 1.39 Å EC: 2.3.1.48 CREBBP BROMODOMAIN IN COMPLEX WITH CPD16 (5-(7-(DIFLUOROMETH METHYL-1H-PYRAZOL-4-YL)-3,4-DIHYDROQUINOLIN-1(2H)-YL)-N-METI NDOLE-3-CARBOXAMIDE) HOMO SAPIENS CREBBP BROMODOMAIN TRANSFERASE-TRANSFERASE INHIBITOR COMPL
Ref.: A UNIQUE APPROACH TO DESIGN POTENT AND SELECTIVE CY ADENOSINE MONOPHOSPHATE RESPONSE ELEMENT BINDING PR BINDING PROTEIN (CBP) INHIBITORS. J. MED. CHEM. V. 60 10151 2017
Members (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 5NLK Kd = 0.035 uM 92E C24 H23 N3 O6 CCOc1ccc(c....
2 5MQE Kd = 4 uM PKU C6 H7 Br N2 O CNC(=O)c1c....
3 4YK0 Kd = 181 uM 098 C24 H29 N3 O5 c1ccc2c(c1....
4 5MPZ Kd = 85 uM 4I8 C9 H7 N O4 COC(=O)c1c....
5 6AXQ ic50 = 99000 nM C2Y C10 H9 N O2 COC(=O)c1c....
6 5DBM Kd = 0.35 uM 58N C17 H22 N4 O C[C@@H]1CC....
7 5LPM Kd = 2.77 uM 71Y C20 H23 Cl N2 O3 CCc1c(c([n....
8 5NRW - 96N C21 H22 N2 O2 CCc1c(c([n....
9 3P1D - MB3 C5 H9 N O CN1CCCC1=O
10 5LPJ Kd = 10.1 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
11 6FQO ic50 = 0.14 uM E2T C26 H24 N2 O6 CCOc1ccc(c....
12 4TQN Kd = 0.77 uM UL4 C18 H17 N O5 CCOc1ccc(c....
13 6FRF ic50 = 0.04 uM E3T C26 H24 N2 O5 CCOc1ccc(c....
14 5TB6 Kd = 1.53 uM 77X C15 H17 N3 O CCC(=O)N1C....
15 5MQK - QPR C11 H11 N O CC(=O)c1cn....
16 5MQG - F31 C9 H11 N O2 CC(=O)c1cc....
17 5I83 ic50 = 4.1 uM 68Y C18 H20 N2 O2 C[C@@H]1CC....
18 4A9K - TYL C8 H9 N O2 CC(=O)Nc1c....
19 5I86 ic50 = 0.53 uM 69A C18 H19 N3 O2 C[C@@H]1CC....
20 6FR0 ic50 = 0.146 uM E3H C27 H26 N2 O6 CCN1C(=O)C....
21 5NU5 Kd = 0.47 uM 99E C21 H22 N2 O4 CCc1c(c([n....
22 5LPK Kd = 3.06 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
23 5MME Kd = 1.4 uM 8Q6 C20 H21 N O6 CCOc1ccc(c....
24 5I89 ic50 = 0.033 uM 69B C21 H22 N4 O C[C@@H]1CC....
25 5NU3 Kd = 0.23 uM 99E C21 H22 N2 O4 CCc1c(c([n....
26 5OWK - 7MX C9 H10 Cl N O3 CCOC(=O)C1....
27 6AY5 ic50 = 69 nM C3V C22 H20 F2 N4 O S Cn1cc(cn1)....
28 5LPL Kd = 12 uM 71X C20 H23 Cl N2 O3 CCc1c(c([n....
29 6FQU ic50 = 2.2 uM E3B C21 H23 F2 N O2 CCOc1ccc(c....
30 6DMK - 2LL C26 H30 N4 O2 Cc1c(c(on1....
31 5MMG Kd = 0.97 uM UT0 C19 H20 N2 O4 S CCOc1ccc(c....
32 5MPN Kd = 0.085 uM YE5 C17 H16 N4 O2 CCOc1ccc(c....
33 5J0D Kd = 134 nM 6F9 C27 H35 N3 O5 CCC(=O)N1C....
34 6AY3 ic50 = 9.5 nM C3J C24 H23 F2 N5 O CNC(=O)c1c....
35 5MPK Kd = 0.003 uM 0BC C21 H18 N6 O3 S CCOc1ccc(c....
36 5CGP Kd = 0.12 uM 53W C27 H32 N4 O3 Cc1c(c(on1....
70% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 5NLK Kd = 0.035 uM 92E C24 H23 N3 O6 CCOc1ccc(c....
2 5MQE Kd = 4 uM PKU C6 H7 Br N2 O CNC(=O)c1c....
3 4YK0 Kd = 181 uM 098 C24 H29 N3 O5 c1ccc2c(c1....
4 5MPZ Kd = 85 uM 4I8 C9 H7 N O4 COC(=O)c1c....
5 6AXQ ic50 = 99000 nM C2Y C10 H9 N O2 COC(=O)c1c....
6 5DBM Kd = 0.35 uM 58N C17 H22 N4 O C[C@@H]1CC....
7 5LPM Kd = 2.77 uM 71Y C20 H23 Cl N2 O3 CCc1c(c([n....
8 5NRW - 96N C21 H22 N2 O2 CCc1c(c([n....
9 3P1D - MB3 C5 H9 N O CN1CCCC1=O
10 5LPJ Kd = 10.1 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
11 6FQO ic50 = 0.14 uM E2T C26 H24 N2 O6 CCOc1ccc(c....
12 4TQN Kd = 0.77 uM UL4 C18 H17 N O5 CCOc1ccc(c....
13 6FRF ic50 = 0.04 uM E3T C26 H24 N2 O5 CCOc1ccc(c....
14 5TB6 Kd = 1.53 uM 77X C15 H17 N3 O CCC(=O)N1C....
15 5MQK - QPR C11 H11 N O CC(=O)c1cn....
16 5MQG - F31 C9 H11 N O2 CC(=O)c1cc....
17 5I83 ic50 = 4.1 uM 68Y C18 H20 N2 O2 C[C@@H]1CC....
18 4A9K - TYL C8 H9 N O2 CC(=O)Nc1c....
19 5I86 ic50 = 0.53 uM 69A C18 H19 N3 O2 C[C@@H]1CC....
20 6FR0 ic50 = 0.146 uM E3H C27 H26 N2 O6 CCN1C(=O)C....
21 5NU5 Kd = 0.47 uM 99E C21 H22 N2 O4 CCc1c(c([n....
22 5LPK Kd = 3.06 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
23 5MME Kd = 1.4 uM 8Q6 C20 H21 N O6 CCOc1ccc(c....
24 5I89 ic50 = 0.033 uM 69B C21 H22 N4 O C[C@@H]1CC....
25 5NU3 Kd = 0.23 uM 99E C21 H22 N2 O4 CCc1c(c([n....
26 5OWK - 7MX C9 H10 Cl N O3 CCOC(=O)C1....
27 6AY5 ic50 = 69 nM C3V C22 H20 F2 N4 O S Cn1cc(cn1)....
28 5LPL Kd = 12 uM 71X C20 H23 Cl N2 O3 CCc1c(c([n....
29 6FQU ic50 = 2.2 uM E3B C21 H23 F2 N O2 CCOc1ccc(c....
30 6DMK - 2LL C26 H30 N4 O2 Cc1c(c(on1....
31 5MMG Kd = 0.97 uM UT0 C19 H20 N2 O4 S CCOc1ccc(c....
32 5MPN Kd = 0.085 uM YE5 C17 H16 N4 O2 CCOc1ccc(c....
33 5J0D Kd = 134 nM 6F9 C27 H35 N3 O5 CCC(=O)N1C....
34 6AY3 ic50 = 9.5 nM C3J C24 H23 F2 N5 O CNC(=O)c1c....
35 5MPK Kd = 0.003 uM 0BC C21 H18 N6 O3 S CCOc1ccc(c....
36 5CGP Kd = 0.12 uM 53W C27 H32 N4 O3 Cc1c(c(on1....
37 5XXH ic50 = 6.8 uM E0D C18 H20 N2 O4 CC(=O)c1cn....
38 5W0L ic50 = 1.1 nM 9UD C27 H32 F2 N6 O2 CC(=O)N1CC....
39 5W0F ic50 = 16 nM 9U7 C25 H30 N6 O2 CC(=O)N1CC....
40 5W0E ic50 = 0.94 nM 9U4 C27 H33 F2 N7 O2 CNC(=O)N1C....
41 5W0Q ic50 = 18 uM 9UG C12 H16 N2 O2 Cc1ccc2c(c....
42 5W0I ic50 = 1.4 nM 9UA C26 H30 F2 N6 O2 CC(=O)N1CC....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5NLK Kd = 0.035 uM 92E C24 H23 N3 O6 CCOc1ccc(c....
2 5MQE Kd = 4 uM PKU C6 H7 Br N2 O CNC(=O)c1c....
3 4YK0 Kd = 181 uM 098 C24 H29 N3 O5 c1ccc2c(c1....
4 5MPZ Kd = 85 uM 4I8 C9 H7 N O4 COC(=O)c1c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4I8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4I8 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4I8; Similar ligands found: 1097
No: Ligand Similarity coefficient
1 N1E 0.9807
2 6KT 0.9726
3 M78 0.9640
4 BQ2 0.9618
5 363 0.9599
6 GO2 0.9599
7 7FU 0.9568
8 0JD 0.9562
9 KMY 0.9558
10 428 0.9553
11 JCZ 0.9550
12 A7H 0.9547
13 CWJ 0.9535
14 7MW 0.9529
15 6NT 0.9526
16 15N 0.9519
17 JDN 0.9517
18 JAW 0.9512
19 1F1 0.9511
20 TMG 0.9505
21 9ZE 0.9499
22 6NI 0.9495
23 NAG 0.9492
24 4BY 0.9489
25 JB8 0.9484
26 S0E 0.9480
27 0HN 0.9476
28 P9E 0.9471
29 EUE 0.9470
30 E1T 0.9466
31 4BL 0.9466
32 0HO 0.9458
33 3ZB 0.9452
34 5NI 0.9449
35 X0U 0.9448
36 SLS 0.9440
37 6FB 0.9438
38 1FE 0.9434
39 3A9 0.9433
40 2ZM 0.9426
41 QIV 0.9424
42 I3E 0.9419
43 E3X 0.9417
44 36M 0.9416
45 2HU 0.9413
46 3NY 0.9407
47 94W 0.9398
48 0UL 0.9398
49 ABI 0.9396
50 GVY 0.9396
51 XCG 0.9396
52 F4E 0.9394
53 9NB 0.9392
54 SKF 0.9387
55 UNJ 0.9375
56 TYL 0.9373
57 BZJ 0.9365
58 MAJ 0.9364
59 5GT 0.9363
60 DRG 0.9359
61 PRL 0.9351
62 MSR 0.9344
63 SNO 0.9341
64 3VS 0.9340
65 7O4 0.9339
66 AN3 0.9337
67 3R4 0.9337
68 F4K 0.9335
69 GJP 0.9333
70 N4E 0.9330
71 S0D 0.9329
72 JA5 0.9327
73 TYE 0.9325
74 8XL 0.9324
75 30G 0.9322
76 Y3L 0.9322
77 V1T 0.9321
78 2FX 0.9311
79 IAC 0.9310
80 RNO 0.9309
81 1HN 0.9308
82 61M 0.9302
83 HNT 0.9301
84 OQC 0.9298
85 BZ2 0.9298
86 VM1 0.9297
87 ESX 0.9293
88 1A7 0.9291
89 JAH 0.9289
90 LEL 0.9287
91 9R5 0.9287
92 27B 0.9286
93 N2I 0.9285
94 VC3 0.9281
95 2QC 0.9280
96 N91 0.9280
97 EUH 0.9272
98 KYA 0.9272
99 K97 0.9272
100 4HB 0.9271
101 795 0.9269
102 4RU 0.9269
103 C82 0.9269
104 SNU 0.9269
105 5LA 0.9268
106 2GQ 0.9267
107 2JX 0.9266
108 J6W 0.9265
109 9FE 0.9265
110 2P3 0.9264
111 K4V 0.9263
112 DEW 0.9262
113 TSS 0.9262
114 JBZ 0.9259
115 CH9 0.9259
116 ST3 0.9257
117 FF2 0.9256
118 MD6 0.9255
119 RSV 0.9255
120 FZM 0.9254
121 8ZE 0.9254
122 ESP 0.9253
123 D3G 0.9251
124 PPY 0.9251
125 AJ1 0.9250
126 2HC 0.9248
127 K7H 0.9246
128 LO1 0.9246
129 M4E 0.9246
130 HA5 0.9246
131 3VX 0.9244
132 IOP 0.9244
133 BIK 0.9242
134 657 0.9242
135 CSN 0.9238
136 4NS 0.9238
137 EYV 0.9237
138 A7N 0.9236
139 1EB 0.9235
140 2PV 0.9234
141 6SD 0.9234
142 IOS 0.9233
143 5TY 0.9232
144 EYJ 0.9230
145 HC4 0.9230
146 15E 0.9230
147 0FK 0.9229
148 4CN 0.9229
149 ANF 0.9228
150 4NP 0.9228
151 YZM 0.9226
152 3TC 0.9226
153 PEY 0.9225
154 AZM 0.9225
155 8NB 0.9223
156 FTV 0.9222
157 92P 0.9221
158 92G 0.9220
159 TRP 0.9220
160 EWG 0.9219
161 ZZA 0.9218
162 3QV 0.9217
163 1IT 0.9216
164 THA 0.9216
165 3VQ 0.9215
166 9FL 0.9214
167 1L5 0.9213
168 2PK 0.9212
169 4NB 0.9210
170 0NX 0.9210
171 TYR 0.9209
172 E5X 0.9209
173 9CA 0.9208
174 4TU 0.9207
175 PNZ 0.9207
176 ENO 0.9206
177 1QP 0.9204
178 PH3 0.9204
179 5F5 0.9203
180 I2E 0.9202
181 AA 0.9201
182 5GU 0.9200
183 27K 0.9200
184 9BF 0.9200
185 ICB 0.9200
186 A5E 0.9197
187 535 0.9195
188 KJU 0.9192
189 5XC 0.9191
190 4BX 0.9190
191 G14 0.9190
192 5TZ 0.9189
193 LR8 0.9188
194 ANN 0.9188
195 TT4 0.9186
196 CPZ 0.9185
197 EV2 0.9184
198 LQ2 0.9183
199 AMR 0.9181
200 RA7 0.9180
201 3IL 0.9179
202 C2Y 0.9178
203 4MB 0.9178
204 UA5 0.9177
205 NDG 0.9177
206 C53 0.9176
207 1VK 0.9175
208 EN1 0.9174
209 833 0.9174
210 HIC 0.9174
211 1A5 0.9174
212 MS9 0.9174
213 LZ5 0.9174
214 AES 0.9172
215 4BZ 0.9172
216 TZF 0.9171
217 0FR 0.9166
218 OW7 0.9163
219 LL1 0.9163
220 MR1 0.9160
221 ST2 0.9159
222 RKV 0.9159
223 7MX 0.9159
224 KDV 0.9158
225 5H6 0.9158
226 88L 0.9158
227 YZ9 0.9157
228 SYE 0.9155
229 TCR 0.9155
230 6FZ 0.9154
231 X48 0.9152
232 NY4 0.9148
233 12T 0.9147
234 8HC 0.9144
235 6QF 0.9142
236 CXH 0.9141
237 0F9 0.9141
238 K82 0.9140
239 5OB 0.9140
240 HX4 0.9138
241 L14 0.9138
242 68A 0.9138
243 ALE 0.9138
244 L22 0.9138
245 KP2 0.9137
246 TSR 0.9134
247 SWX 0.9134
248 ANC 0.9133
249 PH2 0.9132
250 AJG 0.9132
251 BZ3 0.9131
252 PJW 0.9130
253 S60 0.9130
254 TID 0.9130
255 FT6 0.9129
256 ODO 0.9127
257 IQ5 0.9126
258 HJ7 0.9126
259 CKA 0.9124
260 ITE 0.9124
261 L03 0.9124
262 ODK 0.9123
263 344 0.9121
264 OA1 0.9121
265 8NX 0.9120
266 ZEC 0.9119
267 4YO 0.9119
268 FQX 0.9118
269 FCW 0.9118
270 2O6 0.9117
271 CX4 0.9117
272 RD4 0.9116
273 IWT 0.9116
274 K3D 0.9115
275 PIQ 0.9115
276 B1J 0.9113
277 36Y 0.9113
278 F02 0.9112
279 H4B 0.9111
280 6N4 0.9109
281 BGU 0.9109
282 54X 0.9108
283 4WL 0.9108
284 BZQ 0.9107
285 EVF 0.9106
286 NK5 0.9105
287 4AB 0.9105
288 GZ2 0.9105
289 C1M 0.9103
290 HRM 0.9103
291 5VL 0.9103
292 S7S 0.9102
293 LPK 0.9101
294 E7S 0.9101
295 3VW 0.9101
296 FDR 0.9100
297 PDC 0.9100
298 FHC 0.9096
299 2FY 0.9095
300 J9N 0.9095
301 AOT 0.9093
302 80G 0.9092
303 GNM 0.9092
304 2K8 0.9091
305 XI7 0.9090
306 QMS 0.9090
307 9FH 0.9085
308 PD2 0.9084
309 49P 0.9084
310 6VD 0.9084
311 7VP 0.9083
312 4P5 0.9082
313 DTR 0.9082
314 KF5 0.9081
315 ATX 0.9081
316 HHS 0.9081
317 5O6 0.9081
318 KLS 0.9081
319 MQN 0.9080
320 TXW 0.9080
321 5GV 0.9077
322 M5H 0.9076
323 4XF 0.9074
324 4JQ 0.9074
325 JP2 0.9073
326 6HO 0.9073
327 6P3 0.9072
328 8W9 0.9072
329 KTW 0.9071
330 XDK 0.9070
331 0TU 0.9070
332 PUE 0.9069
333 4AU 0.9069
334 2KA 0.9068
335 HPP 0.9067
336 5OO 0.9067
337 FER 0.9067
338 BP7 0.9066
339 3W8 0.9065
340 78Y 0.9065
341 7EH 0.9065
342 2LY 0.9064
343 DDU 0.9064
344 PQS 0.9063
345 HHR 0.9063
346 SJK 0.9063
347 8WO 0.9063
348 KYN 0.9063
349 DNA 0.9062
350 HBI 0.9061
351 5E5 0.9060
352 N0Z 0.9059
353 R20 0.9058
354 AVA 0.9057
355 0OK 0.9057
356 9UL 0.9057
357 MS0 0.9057
358 NPX 0.9055
359 BVS 0.9054
360 5SJ 0.9053
361 EE8 0.9051
362 YPN 0.9051
363 LTT 0.9050
364 PPT 0.9050
365 3AE 0.9050
366 PNP 0.9049
367 HQJ 0.9049
368 P81 0.9048
369 NFM 0.9047
370 2D2 0.9046
371 5F8 0.9046
372 LNR 0.9045
373 2J1 0.9043
374 NLA 0.9043
375 2O8 0.9042
376 TGX 0.9042
377 ESI 0.9042
378 N9J 0.9041
379 E1P 0.9040
380 BIO 0.9039
381 QME 0.9039
382 4NZ 0.9037
383 4V2 0.9036
384 II4 0.9036
385 4Z9 0.9036
386 CFA 0.9035
387 L99 0.9035
388 54Z 0.9035
389 P80 0.9034
390 8YH 0.9033
391 GCO 0.9033
392 DHC 0.9033
393 0DF 0.9030
394 AJY 0.9030
395 DUR 0.9030
396 B41 0.9029
397 5VU 0.9029
398 ZME 0.9029
399 DVQ 0.9028
400 QUS 0.9027
401 AHN 0.9027
402 BPY 0.9026
403 K48 0.9026
404 H2B 0.9024
405 A5H 0.9023
406 9KZ 0.9022
407 M6Z 0.9021
408 4NM 0.9020
409 HBO 0.9019
410 5B2 0.9019
411 H5B 0.9019
412 36E 0.9017
413 J38 0.9017
414 3SU 0.9016
415 ZHA 0.9015
416 AAN 0.9015
417 NGA 0.9014
418 6ME 0.9013
419 FYR 0.9013
420 LGT 0.9012
421 MZM 0.9010
422 LR5 0.9009
423 2BG 0.9009
424 3J8 0.9007
425 PQM 0.9007
426 549 0.9007
427 S0W 0.9004
428 QBP 0.9004
429 2LW 0.9004
430 SRO 0.9003
431 EQA 0.9003
432 C0W 0.9003
433 492 0.9002
434 7AP 0.9002
435 AMH 0.9002
436 EQW 0.9002
437 5V7 0.9001
438 N7I 0.8996
439 2F6 0.8995
440 YE7 0.8995
441 4LW 0.8994
442 6L6 0.8994
443 FBF 0.8993
444 6MW 0.8993
445 44V 0.8990
446 F9Y 0.8990
447 0OL 0.8990
448 BPN 0.8989
449 TCA 0.8989
450 M4N 0.8988
451 RCV 0.8988
452 J1K 0.8988
453 M4S 0.8987
454 MP5 0.8987
455 5FL 0.8986
456 KLE 0.8986
457 FUD 0.8985
458 GWM 0.8985
459 THU 0.8984
460 GDL 0.8983
461 0LO 0.8982
462 D2G 0.8982
463 S98 0.8982
464 YE6 0.8981
465 8MO 0.8980
466 H75 0.8980
467 NDD 0.8980
468 N2M 0.8980
469 DQU 0.8980
470 259 0.8979
471 1ZC 0.8979
472 5AD 0.8979
473 LFQ 0.8978
474 F2W 0.8977
475 L15 0.8977
476 J9Q 0.8974
477 CC5 0.8972
478 5TT 0.8972
479 3XR 0.8972
480 K80 0.8971
481 F40 0.8970
482 54E 0.8970
483 ET0 0.8969
484 7FF 0.8968
485 B62 0.8968
486 8G0 0.8967
487 2UD 0.8967
488 SBK 0.8966
489 28N 0.8966
490 GF4 0.8965
491 CK2 0.8964
492 EYY 0.8964
493 JMG 0.8963
494 ABF 0.8963
495 4JC 0.8963
496 HJH 0.8960
497 WV7 0.8959
498 8CC 0.8958
499 3MB 0.8958
500 4ZA 0.8958
501 DNF 0.8957
502 A2G 0.8956
503 DAH 0.8956
504 ES2 0.8955
505 FCD 0.8954
506 0OY 0.8954
507 H4E 0.8954
508 4FF 0.8951
509 QX4 0.8951
510 OVM 0.8950
511 VGD 0.8948
512 SN4 0.8947
513 2WU 0.8947
514 P7Y 0.8946
515 RVE 0.8946
516 CLW 0.8944
517 ONR 0.8944
518 GB4 0.8944
519 S7J 0.8942
520 L1T 0.8941
521 BNL 0.8940
522 60L 0.8939
523 XIZ 0.8939
524 TJM 0.8936
525 N8Y 0.8935
526 W81 0.8935
527 36R 0.8934
528 1P8 0.8934
529 E1K 0.8934
530 L5V 0.8934
531 PMP 0.8934
532 86L 0.8931
533 A5Q 0.8930
534 HIS 0.8930
535 HDH 0.8929
536 97T 0.8929
537 D8Q 0.8927
538 BBK 0.8927
539 7ME 0.8926
540 OLU 0.8926
541 7L4 0.8926
542 STX 0.8925
543 AM4 0.8923
544 ERZ 0.8923
545 ICO 0.8923
546 1DR 0.8922
547 PHE 0.8922
548 6ZW 0.8922
549 PO6 0.8921
550 F31 0.8921
551 DXK 0.8920
552 BSA 0.8919
553 ZYQ 0.8915
554 4VY 0.8913
555 0BP 0.8913
556 ZSP 0.8913
557 HNK 0.8912
558 HNL 0.8912
559 Q4G 0.8912
560 FBB 0.8911
561 PRO GLY 0.8910
562 44W 0.8910
563 XIY 0.8910
564 DJN 0.8909
565 4CM 0.8908
566 K2T 0.8908
567 1Z6 0.8907
568 FMQ 0.8907
569 1M2 0.8907
570 BK9 0.8905
571 ZZZ 0.8904
572 5C1 0.8903
573 RYV 0.8903
574 A9B 0.8903
575 HH6 0.8902
576 ZYR 0.8900
577 QBM 0.8898
578 OTW 0.8896
579 LLH 0.8894
580 SSC 0.8893
581 XHP 0.8893
582 BHS 0.8893
583 4UM 0.8892
584 ET2 0.8892
585 TYC 0.8891
586 P4L 0.8891
587 MVN 0.8891
588 Z5P 0.8890
589 OHJ 0.8890
590 0FO 0.8890
591 0SY 0.8890
592 IQQ 0.8888
593 A6W 0.8887
594 VUP 0.8887
595 JG8 0.8885
596 IS2 0.8885
597 VFG 0.8885
598 ARP 0.8885
599 4JE 0.8884
600 ETV 0.8884
601 CX6 0.8884
602 OW4 0.8883
603 BA5 0.8882
604 HHI 0.8882
605 PFF 0.8882
606 22L 0.8881
607 X0W 0.8880
608 M45 0.8880
609 2FQ 0.8880
610 5VM 0.8879
611 EV3 0.8879
612 A7Q 0.8878
613 OTR 0.8877
614 DHI 0.8876
615 VXX 0.8876
616 6RQ 0.8875
617 0XT 0.8873
618 9AP 0.8872
619 5RN 0.8872
620 JF1 0.8871
621 6ZX 0.8871
622 KTJ 0.8870
623 MPV 0.8869
624 4Z1 0.8869
625 U7E 0.8869
626 SOR 0.8869
627 PFL 0.8869
628 4KL 0.8868
629 CK1 0.8868
630 TB8 0.8866
631 LDR 0.8865
632 2UZ 0.8865
633 JA8 0.8865
634 2BX 0.8865
635 1AJ 0.8864
636 KW8 0.8864
637 C4E 0.8864
638 YI6 0.8863
639 47V 0.8862
640 APS 0.8860
641 JTH 0.8860
642 1OS 0.8859
643 AVX 0.8858
644 XAZ 0.8857
645 14W 0.8857
646 8D6 0.8857
647 ZRK 0.8856
648 EXD 0.8854
649 XDE 0.8853
650 5XB 0.8853
651 3W6 0.8850
652 3W3 0.8850
653 6FG 0.8850
654 1AL 0.8849
655 HCI 0.8849
656 DPT 0.8849
657 GB5 0.8849
658 GLO 0.8849
659 A98 0.8849
660 BPU 0.8848
661 EA1 0.8847
662 YIE 0.8847
663 2JK 0.8847
664 C0H 0.8846
665 CUT 0.8846
666 MNP 0.8845
667 AH9 0.8844
668 TWO 0.8844
669 5DL 0.8843
670 Z21 0.8843
671 YTX 0.8842
672 5RP 0.8841
673 LVD 0.8841
674 BL0 0.8841
675 DHY 0.8841
676 78U 0.8840
677 S7A 0.8839
678 52C 0.8839
679 A29 0.8838
680 N2Z 0.8837
681 FHV 0.8836
682 0ON 0.8836
683 5JQ 0.8835
684 ZIQ 0.8835
685 55D 0.8835
686 6DP 0.8834
687 JF2 0.8834
688 0K7 0.8832
689 PQZ 0.8832
690 TAG 0.8831
691 AKG 0.8831
692 DK1 0.8830
693 GO8 0.8830
694 DTY 0.8830
695 L2K 0.8829
696 68B 0.8827
697 M2K 0.8826
698 EZL 0.8825
699 4FC 0.8824
700 3PF 0.8824
701 CUQ 0.8824
702 2HQ 0.8822
703 4FA 0.8822
704 AWE 0.8821
705 THM 0.8821
706 5LD 0.8819
707 56D 0.8819
708 BVA 0.8819
709 DZA 0.8818
710 DCZ 0.8818
711 6J9 0.8818
712 D1G 0.8817
713 DHR 0.8815
714 NPA 0.8814
715 S2G 0.8814
716 L07 0.8813
717 1KN 0.8813
718 PQK 0.8813
719 AUV 0.8813
720 R9Y 0.8811
721 PLP 0.8810
722 856 0.8808
723 P7V 0.8808
724 LDP 0.8807
725 D1Y 0.8807
726 IQZ 0.8805
727 46P 0.8804
728 4CF 0.8803
729 NFZ 0.8803
730 1V4 0.8803
731 HWD 0.8802
732 AVO 0.8802
733 CUH 0.8800
734 5WT 0.8800
735 ROI 0.8799
736 Y4L 0.8799
737 N3W 0.8798
738 SQ7 0.8797
739 FWD 0.8797
740 JTA 0.8795
741 SYV 0.8795
742 5RO 0.8795
743 YRL 0.8795
744 4FE 0.8794
745 AEF 0.8794
746 FA0 0.8794
747 NCT 0.8793
748 KDG 0.8791
749 B56 0.8790
750 50C 0.8790
751 1HP 0.8790
752 52F 0.8788
753 X11 0.8787
754 LTN 0.8787
755 M3Q 0.8786
756 T1N 0.8785
757 7MU 0.8783
758 6C9 0.8782
759 LP8 0.8780
760 OVP 0.8779
761 R1P 0.8778
762 1HR 0.8778
763 WUB 0.8778
764 6DQ 0.8778
765 5DS 0.8777
766 DX3 0.8776
767 LDC 0.8775
768 6TZ 0.8775
769 9JT 0.8773
770 A6P 0.8773
771 CTE 0.8772
772 PIY 0.8772
773 Z13 0.8772
774 URC 0.8772
775 HNH 0.8772
776 OOG 0.8771
777 GNV 0.8771
778 9CE 0.8771
779 EGR 0.8770
780 OGA 0.8769
781 PRZ 0.8768
782 67Y 0.8767
783 LR2 0.8767
784 L5D 0.8766
785 0W1 0.8766
786 X2M 0.8766
787 TIA 0.8766
788 7PJ 0.8764
789 MXD 0.8764
790 HRD 0.8763
791 NPS 0.8762
792 0J4 0.8762
793 INO 0.8760
794 PRF 0.8758
795 28A 0.8758
796 LUM 0.8756
797 Q0K 0.8755
798 4HM 0.8754
799 SOJ 0.8753
800 GNY 0.8752
801 NEO 0.8752
802 Q8G 0.8752
803 4MU 0.8751
804 4G2 0.8751
805 PIM 0.8751
806 1V3 0.8750
807 7OD 0.8749
808 OCZ 0.8748
809 J9T 0.8747
810 IV2 0.8746
811 WS7 0.8746
812 6DH 0.8744
813 75K 0.8743
814 G12 0.8743
815 4Z3 0.8743
816 0F3 0.8743
817 2HG 0.8742
818 A73 0.8742
819 S1D 0.8741
820 ZYX 0.8741
821 LJ3 0.8740
822 4ME 0.8737
823 XIF XYP 0.8737
824 KBZ 0.8737
825 BEA 0.8734
826 4LV 0.8734
827 1PS 0.8733
828 CNI 0.8731
829 JB5 0.8730
830 BHA 0.8730
831 JF8 0.8730
832 8TX 0.8730
833 D48 0.8729
834 DOB 0.8728
835 QBK 0.8727
836 L1O 0.8726
837 VNL 0.8726
838 CIT 0.8726
839 DBS 0.8726
840 BTY 0.8725
841 1OT 0.8725
842 LWS 0.8724
843 W29 0.8723
844 B21 0.8722
845 ZIP 0.8722
846 LIG 0.8721
847 3R6 0.8721
848 LLT 0.8720
849 QR2 0.8719
850 GNR 0.8719
851 UFO 0.8717
852 39Z 0.8717
853 RM1 0.8716
854 7I2 0.8715
855 NIF 0.8715
856 AEH 0.8715
857 GZV 0.8714
858 SG2 0.8714
859 CWD 0.8714
860 STT 0.8713
861 HL4 0.8712
862 5QY 0.8711
863 3C5 0.8711
864 IPO 0.8709
865 V2Z 0.8709
866 7QD 0.8709
867 X6P 0.8708
868 PHB 0.8707
869 FLC 0.8706
870 X6W 0.8705
871 8V8 0.8704
872 E4P 0.8702
873 4GU 0.8701
874 JGB 0.8701
875 PBN 0.8700
876 JRB 0.8700
877 CLZ 0.8699
878 SSY 0.8698
879 4AA 0.8698
880 D25 0.8697
881 B55 0.8697
882 EAT 0.8697
883 4FP 0.8696
884 DHB 0.8696
885 PQ0 0.8696
886 NIY 0.8696
887 M1Z 0.8696
888 NNO 0.8695
889 NVU 0.8695
890 BZE 0.8695
891 MPK 0.8695
892 86J 0.8694
893 NF3 0.8694
894 A5P 0.8694
895 S7D 0.8693
896 5JL 0.8691
897 5SP 0.8690
898 2B4 0.8690
899 1WC 0.8690
900 I3A 0.8688
901 39O 0.8688
902 5WN 0.8688
903 4M0 0.8688
904 1XS 0.8687
905 ZEA 0.8687
906 4BF 0.8687
907 8WT 0.8686
908 URI 0.8686
909 3DE 0.8685
910 ZPF 0.8685
911 VD9 0.8685
912 6C4 0.8684
913 RQD 0.8684
914 TZM 0.8684
915 FHB 0.8682
916 BBY 0.8682
917 INE 0.8682
918 BDP 0.8682
919 5CU 0.8681
920 Q8D 0.8680
921 M83 0.8680
922 F1X 0.8680
923 93K 0.8679
924 NRA 0.8678
925 K25 0.8678
926 MKN 0.8678
927 0N7 0.8677
928 6H2 0.8677
929 3EB 0.8676
930 6C5 0.8674
931 27M 0.8674
932 5NN 0.8674
933 0FN 0.8673
934 9LI 0.8672
935 NID 0.8671
936 PLR 0.8671
937 CHQ 0.8671
938 R8Y 0.8670
939 1V1 0.8670
940 GOE 0.8668
941 6Q3 0.8668
942 TTL 0.8668
943 J5I 0.8667
944 HQD 0.8667
945 CIY 0.8667
946 GZL 0.8666
947 NKI 0.8665
948 GVG 0.8665
949 E0O 0.8664
950 PA5 0.8663
951 H42 0.8662
952 3GX 0.8662
953 069 0.8661
954 7N8 0.8660
955 G1P 0.8660
956 7ZL 0.8659
957 HHH 0.8659
958 6C8 0.8659
959 4A3 0.8658
960 TTY 0.8657
961 173 0.8657
962 PAB 0.8657
963 9H2 0.8657
964 LFN 0.8656
965 VFM 0.8655
966 HBD 0.8653
967 WLH 0.8652
968 MTL 0.8651
969 P93 0.8651
970 GF1 0.8651
971 397 0.8650
972 AY4 0.8649
973 272 0.8649
974 P9P 0.8649
975 5AE 0.8649
976 WSD 0.8648
977 3XH 0.8646
978 CS2 0.8646
979 L46 0.8645
980 3DM 0.8644
981 KW7 0.8644
982 ES5 0.8643
983 SHA 0.8643
984 G6P 0.8643
985 SE2 0.8642
986 4NC 0.8642
987 BNF 0.8642
988 XFE 0.8641
989 B5D 0.8641
990 GC2 0.8640
991 G3E 0.8639
992 MUR 0.8639
993 03V 0.8638
994 R2P 0.8637
995 D9Z 0.8637
996 4FS 0.8634
997 28S 0.8634
998 MQB 0.8634
999 CHB 0.8633
1000 2AQ 0.8632
1001 DE5 0.8632
1002 DX7 0.8632
1003 5NU 0.8631
1004 3D8 0.8631
1005 COU 0.8627
1006 K68 0.8624
1007 25F 0.8624
1008 PBA 0.8624
1009 S8A 0.8621
1010 5TO 0.8620
1011 QMR 0.8620
1012 2A9 0.8620
1013 0GZ 0.8617
1014 PZM 0.8616
1015 IHB 0.8615
1016 7W1 0.8615
1017 GXD 0.8613
1018 BWD 0.8612
1019 1Y6 0.8612
1020 2HO 0.8610
1021 NSG 0.8609
1022 PBZ 0.8609
1023 KLV 0.8609
1024 H7Y 0.8606
1025 URO 0.8605
1026 GLU 0.8604
1027 0DN 0.8604
1028 8Y7 0.8602
1029 NPO 0.8601
1030 HA6 0.8598
1031 2J2 0.8597
1032 DNC 0.8596
1033 BHQ 0.8596
1034 NGO 0.8595
1035 3Y7 0.8595
1036 OCH 0.8595
1037 9TW 0.8595
1038 RKN 0.8595
1039 3HM 0.8594
1040 96Z 0.8593
1041 ENG 0.8592
1042 5P3 0.8591
1043 F5C 0.8590
1044 GLP 0.8588
1045 P72 0.8587
1046 92O 0.8586
1047 4MA 0.8584
1048 VGS 0.8584
1049 CTN 0.8581
1050 JPQ 0.8581
1051 K44 0.8579
1052 51Y 0.8579
1053 6HP 0.8578
1054 MST 0.8578
1055 67X 0.8577
1056 J9W 0.8575
1057 PHU 0.8574
1058 NYL 0.8573
1059 EUG 0.8573
1060 MUK 0.8572
1061 EQU 0.8572
1062 SKM 0.8570
1063 S62 0.8569
1064 5OR 0.8569
1065 42J 0.8568
1066 CTL 0.8566
1067 A51 0.8559
1068 AC6 0.8558
1069 QSB 0.8556
1070 M1Q 0.8555
1071 MUA 0.8555
1072 JVD 0.8554
1073 MYJ 0.8553
1074 SYA 0.8552
1075 4SX 0.8551
1076 IWD 0.8551
1077 SZ5 0.8547
1078 TR4 0.8547
1079 3F4 0.8543
1080 BY5 0.8543
1081 DX2 0.8540
1082 EES 0.8540
1083 AJV 0.8540
1084 Q02 0.8539
1085 EAE 0.8538
1086 S0A 0.8534
1087 HFA 0.8533
1088 826 0.8530
1089 LZM 0.8529
1090 E7Z 0.8525
1091 WOE 0.8525
1092 AMS 0.8524
1093 GNJ 0.8523
1094 JGY 0.8523
1095 M0W 0.8517
1096 I5A 0.8509
1097 GDE 0.8505
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6AY3; Ligand: C3J; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 6ay3.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4UYF 73B 41.7391
2 4UYF 73B 41.7391
3 4UYG 73B 43.4783
4 4UYG 73B 43.4783
5 4UYG 73B 43.4783
6 4UYG 73B 43.4783
Pocket No.: 2; Query (leader) PDB : 6AY3; Ligand: C3J; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 6ay3.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4UYF 73B 41.7391
APoc FAQ
Feedback