Receptor
PDB id Resolution Class Description Source Keywords
5MQE 1.65 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
PKU A:1201;
B:1201;
 Valid;
Valid;
 none;
none;
 Kd = 4 uM
203.037 C6 H7 Br N2 O CNC(=...
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: PKU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PKU 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: PKU; Similar ligands found: 1014
No: Ligand Similarity coefficient
1 14J 0.9674
2 NIZ 0.9597
3 ISZ 0.9588
4 BHO 0.9582
5 RJY 0.9558
6 1P8 0.9538
7 FBJ 0.9537
8 XBT 0.9514
9 I1E 0.9505
10 JA8 0.9497
11 7MU 0.9472
12 J9N 0.9470
13 CFI 0.9463
14 BAM 0.9457
15 FBM 0.9444
16 ES2 0.9443
17 FQI 0.9436
18 J9T 0.9429
19 ZBT 0.9426
20 54D 0.9421
21 0TU 0.9421
22 VGD 0.9420
23 FEH 0.9418
24 TPA 0.9410
25 XYL 0.9400
26 RB5 0.9400
27 KJU 0.9398
28 7WG 0.9397
29 OAA 0.9394
30 069 0.9393
31 F9P 0.9389
32 5GU 0.9389
33 K2T 0.9386
34 45L 0.9379
35 GOJ 0.9378
36 M6W 0.9377
37 HDH 0.9368
38 MXN 0.9362
39 FK1 0.9359
40 CLW 0.9355
41 8NY 0.9355
42 ET2 0.9353
43 MLT 0.9350
44 4YO 0.9349
45 MQN 0.9348
46 BEN 0.9346
47 TZL 0.9344
48 5VM 0.9341
49 11S 0.9341
50 AC0 0.9340
51 H4N 0.9336
52 36R 0.9330
53 DTL 0.9327
54 NCA 0.9323
55 HX2 0.9323
56 PZA 0.9322
57 PAB 0.9321
58 4BZ 0.9321
59 6PC 0.9320
60 ES9 0.9312
61 5MI 0.9311
62 NIO 0.9310
63 4JQ 0.9307
64 HBD 0.9302
65 BEZ 0.9301
66 PHB 0.9300
67 NPO 0.9298
68 JAE 0.9297
69 XRG 0.9297
70 BZX 0.9294
71 NBZ 0.9293
72 XIY 0.9289
73 I3E 0.9289
74 5H1 0.9286
75 14O 0.9286
76 DHR 0.9286
77 PYC 0.9281
78 OTR 0.9281
79 PBC 0.9279
80 5OB 0.9275
81 173 0.9273
82 FBB 0.9271
83 Z82 0.9271
84 NTN 0.9271
85 F60 0.9270
86 5MB 0.9270
87 UNU 0.9269
88 2K4 0.9268
89 2F6 0.9264
90 9R5 0.9264
91 717 0.9259
92 1DJ 0.9258
93 SHA 0.9252
94 6AI 0.9250
95 AC6 0.9250
96 4FA 0.9248
97 F9Y 0.9244
98 174 0.9240
99 HSM 0.9238
100 1DV 0.9231
101 4MA 0.9231
102 RM1 0.9230
103 MNN 0.9230
104 HY1 0.9229
105 EOU 0.9228
106 HQJ 0.9228
107 PNZ 0.9228
108 4FS 0.9227
109 5XC 0.9227
110 8OZ 0.9227
111 CWJ 0.9226
112 PEA 0.9226
113 P72 0.9224
114 ANN 0.9224
115 HC4 0.9224
116 H42 0.9222
117 FOA 0.9222
118 2HQ 0.9221
119 PBZ 0.9218
120 1Y6 0.9218
121 TZC 0.9218
122 GAB 0.9215
123 AL0 0.9214
124 JB5 0.9213
125 EUG 0.9212
126 JBN 0.9210
127 TYL 0.9210
128 4VY 0.9209
129 ES5 0.9209
130 SIN 0.9209
131 GJZ 0.9208
132 MUC 0.9207
133 QSC 0.9207
134 YRL 0.9207
135 5FX 0.9204
136 5B1 0.9204
137 SYV 0.9203
138 BZ3 0.9203
139 49F 0.9202
140 PCA 0.9202
141 GLY ALA 0.9202
142 2AQ 0.9200
143 I3A 0.9200
144 2MI 0.9199
145 TH7 0.9199
146 HYA 0.9197
147 MR1 0.9196
148 PZI 0.9195
149 VGL 0.9194
150 1P7 0.9191
151 JZ5 0.9191
152 N2I 0.9189
153 OK7 0.9188
154 OVV 0.9188
155 53C 0.9187
156 OHG 0.9186
157 LMR 0.9185
158 YCP 0.9185
159 DE5 0.9183
160 WCE 0.9182
161 3NT 0.9181
162 GLU 0.9181
163 03V 0.9179
164 1M2 0.9179
165 1DW 0.9178
166 COU 0.9175
167 SS1 0.9175
168 IT2 0.9174
169 4CS 0.9174
170 FAN 0.9172
171 1DU 0.9172
172 5WV 0.9171
173 268 0.9170
174 4HM 0.9169
175 UGC 0.9168
176 2BG 0.9167
177 DYA 0.9166
178 86J 0.9164
179 AEF 0.9161
180 94W 0.9161
181 OCH 0.9159
182 AX7 0.9158
183 270 0.9158
184 JZ7 0.9157
185 BNS 0.9156
186 YPN 0.9155
187 HMH 0.9155
188 HBA 0.9154
189 XLS 0.9153
190 PZM 0.9151
191 826 0.9148
192 3OC 0.9147
193 PRO 0.9146
194 4ZC 0.9146
195 NMJ 0.9145
196 IWT 0.9144
197 K34 0.9142
198 J6W 0.9142
199 XQ0 0.9142
200 ABV 0.9138
201 TGX 0.9138
202 3HB 0.9134
203 8ZE 0.9133
204 2PC 0.9133
205 259 0.9132
206 MS9 0.9132
207 XUL 0.9131
208 8GC 0.9131
209 4P5 0.9130
210 TP5 0.9127
211 ASP 0.9127
212 E5X 0.9126
213 FUM 0.9126
214 2RH 0.9125
215 AHR 0.9121
216 RBL 0.9120
217 PIY 0.9120
218 BCU 0.9120
219 PHU 0.9119
220 RSO 0.9114
221 RMN 0.9113
222 3MB 0.9112
223 GZL 0.9112
224 OVM 0.9110
225 4JM 0.9108
226 OHJ 0.9107
227 3AB 0.9107
228 8H8 0.9106
229 UY7 0.9105
230 4NM 0.9104
231 3OM 0.9100
232 COI 0.9100
233 BRT 0.9098
234 PG0 0.9098
235 FUD 0.9097
236 6M4 0.9096
237 OW4 0.9096
238 ASO 0.9094
239 MSR 0.9094
240 M3H 0.9092
241 4JT 0.9090
242 FOC 0.9089
243 SW7 0.9089
244 F4E 0.9089
245 6TZ 0.9089
246 3BZ 0.9088
247 C21 0.9088
248 TH0 0.9088
249 BE7 0.9087
250 PIM 0.9085
251 DMD 0.9085
252 EHM 0.9082
253 7HQ 0.9082
254 HL5 0.9082
255 HSO 0.9081
256 KDV 0.9079
257 6M9 0.9078
258 ASC 0.9076
259 L5V 0.9075
260 P92 0.9074
261 BP9 0.9074
262 4SD 0.9073
263 HIO 0.9072
264 GUA 0.9072
265 H8N 0.9070
266 5HN 0.9069
267 QXW 0.9068
268 1SA 0.9068
269 LDU 0.9067
270 7VP 0.9066
271 QY9 0.9064
272 4NC 0.9062
273 3ID 0.9062
274 PEL 0.9062
275 QWN 0.9061
276 23W 0.9060
277 INO 0.9060
278 GRO 0.9057
279 JLZ 0.9057
280 RNT 0.9053
281 OVP 0.9053
282 RBJ 0.9051
283 DTU 0.9051
284 4WL 0.9050
285 R8S 0.9049
286 M58 0.9048
287 FBA 0.9047
288 IXW 0.9047
289 OKG 0.9047
290 IV2 0.9046
291 6RQ 0.9046
292 CXF 0.9046
293 CPZ 0.9046
294 SYN 0.9045
295 7N0 0.9045
296 2FY 0.9044
297 LNR 0.9044
298 BPN 0.9042
299 GAG 0.9041
300 A29 0.9041
301 8K2 0.9041
302 SMN 0.9040
303 3PF 0.9040
304 2CK 0.9039
305 OGA 0.9038
306 R20 0.9036
307 7W4 0.9032
308 SRT 0.9032
309 5JQ 0.9031
310 273 0.9030
311 L99 0.9029
312 SD4 0.9029
313 0RW 0.9029
314 RHU 0.9029
315 HIS 0.9027
316 5WZ 0.9026
317 URO 0.9026
318 SNU 0.9025
319 3HM 0.9023
320 AKG 0.9023
321 SAL 0.9022
322 M4T 0.9020
323 SMV 0.9020
324 HHH 0.9019
325 0HO 0.9018
326 MPV 0.9018
327 3DO 0.9017
328 KKN 0.9017
329 AMH 0.9016
330 NOJ 0.9016
331 ISN 0.9016
332 4VP 0.9015
333 5QY 0.9014
334 GBD 0.9012
335 HYP 0.9009
336 3BU 0.9009
337 JFJ 0.9009
338 ODO 0.9009
339 5NU 0.9008
340 DHB 0.9008
341 XM0 0.9006
342 MZW 0.9006
343 QUZ 0.9004
344 NNO 0.9004
345 SS2 0.9004
346 TFB 0.9001
347 JAB 0.9001
348 RSF 0.9000
349 P9P 0.8999
350 8WO 0.8999
351 15E 0.8998
352 4A3 0.8998
353 TSU 0.8997
354 DHI 0.8996
355 C2B 0.8996
356 J9Q 0.8994
357 9RW 0.8994
358 ES7 0.8994
359 9CL 0.8993
360 G3E 0.8993
361 NSP 0.8993
362 C2A 0.8992
363 LPK 0.8991
364 4XR 0.8990
365 BSX 0.8990
366 HLR 0.8990
367 265 0.8987
368 LT2 0.8986
369 PO6 0.8983
370 5JL 0.8983
371 GLC 0.8983
372 2A9 0.8980
373 KOJ 0.8980
374 TZF 0.8980
375 CEE 0.8979
376 TAG 0.8978
377 GLY GLY 0.8977
378 HX4 0.8977
379 HDA 0.8976
380 BHH 0.8975
381 7BC 0.8975
382 G2F 0.8975
383 QSB 0.8974
384 5AC 0.8973
385 FHB 0.8973
386 BNF 0.8973
387 9TW 0.8972
388 PBA 0.8971
389 F05 0.8969
390 DEN 0.8967
391 93K 0.8967
392 4JL 0.8964
393 MEQ 0.8964
394 FA0 0.8961
395 75K 0.8961
396 4M4 0.8960
397 D48 0.8958
398 LDP 0.8958
399 HX3 0.8958
400 ABN 0.8957
401 PRS 0.8957
402 MLA 0.8956
403 F0J 0.8955
404 SOR 0.8954
405 KMH 0.8954
406 XAZ 0.8953
407 1P3 0.8952
408 GTQ 0.8949
409 TLA 0.8949
410 FP1 0.8948
411 JZ9 0.8947
412 NCT 0.8947
413 SRO 0.8946
414 IPB 0.8945
415 258 0.8945
416 2HO 0.8944
417 IHB 0.8944
418 LZ1 0.8943
419 1PT 0.8943
420 MYJ 0.8940
421 9EW 0.8939
422 IND 0.8938
423 DOB 0.8938
424 KUF 0.8935
425 V55 0.8934
426 4ZA 0.8934
427 42A 0.8934
428 J5I 0.8934
429 4M0 0.8934
430 RNS 0.8931
431 P4B 0.8930
432 XX2 0.8930
433 S2G 0.8929
434 BHA 0.8929
435 0HN 0.8929
436 BE2 0.8929
437 MRZ 0.8925
438 BZI 0.8925
439 5CU 0.8924
440 4JP 0.8922
441 MPI 0.8922
442 OXQ 0.8922
443 VNJ 0.8921
444 AMC 0.8921
445 FB2 0.8920
446 5JC 0.8920
447 ES6 0.8919
448 492 0.8918
449 PAC 0.8916
450 M45 0.8915
451 Q88 0.8915
452 5MH 0.8915
453 BNL 0.8915
454 4SV 0.8914
455 E7S 0.8913
456 PY7 0.8912
457 NYL 0.8912
458 SAN 0.8912
459 TEO 0.8911
460 2AL 0.8911
461 SN4 0.8910
462 MTL 0.8908
463 51R 0.8907
464 IDM 0.8907
465 54G 0.8906
466 2CQ 0.8905
467 FK8 0.8904
468 MNM 0.8904
469 BZF 0.8904
470 FRU 0.8904
471 AAE 0.8904
472 IHG 0.8903
473 2LP 0.8902
474 3A9 0.8900
475 TT4 0.8900
476 HIC 0.8899
477 1CO 0.8899
478 MLI 0.8898
479 BGC 0.8898
480 0CT 0.8897
481 JBE 0.8897
482 DBH 0.8896
483 5LA 0.8896
484 NPY 0.8894
485 GVH 0.8894
486 B55 0.8893
487 282 0.8893
488 GVG 0.8892
489 AEG 0.8891
490 SAF 0.8891
491 40E 0.8891
492 0R1 0.8889
493 CHB 0.8889
494 263 0.8889
495 264 0.8887
496 BZ2 0.8887
497 MAE 0.8887
498 LZM 0.8886
499 0JD 0.8885
500 1DQ 0.8884
501 2HG 0.8884
502 3XX 0.8884
503 SE2 0.8881
504 F31 0.8881
505 4J8 0.8881
506 F4Z 0.8881
507 GYE 0.8880
508 EN1 0.8880
509 HHI 0.8880
510 D3G 0.8879
511 ASN 0.8879
512 4V2 0.8878
513 3LR 0.8875
514 3Z7 0.8875
515 C5J 0.8874
516 M1E 0.8873
517 P2D 0.8873
518 46P 0.8873
519 DS0 0.8872
520 2HU 0.8871
521 261 0.8869
522 MED 0.8869
523 LEU 0.8868
524 DIE 0.8866
525 ACA 0.8866
526 SX1 0.8865
527 97T 0.8864
528 PSJ 0.8863
529 YH7 0.8863
530 9FL 0.8863
531 42J 0.8863
532 FCR 0.8862
533 GLL 0.8862
534 6NT 0.8862
535 60P 0.8860
536 JB8 0.8859
537 24B 0.8859
538 HSE 0.8858
539 1MC 0.8858
540 HCS 0.8857
541 NF3 0.8856
542 6AP 0.8856
543 G3P 0.8856
544 G3H 0.8856
545 PGH 0.8856
546 URC 0.8854
547 3U4 0.8854
548 BVC 0.8853
549 BOA 0.8853
550 1MR 0.8853
551 PRA 0.8853
552 271 0.8853
553 1WD 0.8852
554 3HA 0.8851
555 KMT 0.8850
556 PYF 0.8849
557 MET 0.8849
558 AAS 0.8849
559 GUN 0.8848
560 428 0.8848
561 HY3 0.8847
562 DGN 0.8847
563 5RG 0.8846
564 MZG 0.8845
565 ES0 0.8844
566 IZC 0.8844
567 TSS 0.8843
568 1L5 0.8843
569 ICB 0.8843
570 4AA 0.8842
571 ABI 0.8842
572 Q24 0.8840
573 HH5 0.8839
574 3SL 0.8839
575 2ZM 0.8838
576 MCT 0.8838
577 6NI 0.8835
578 5M0 0.8835
579 L22 0.8835
580 K6V 0.8834
581 PEP 0.8834
582 CFA 0.8833
583 HBX 0.8833
584 5NI 0.8833
585 GIF 0.8833
586 3M0 0.8833
587 JZ4 0.8833
588 PMB 0.8832
589 GLN 0.8831
590 A7H 0.8831
591 LNO 0.8831
592 LLQ 0.8831
593 MWJ 0.8831
594 1F1 0.8831
595 4JC 0.8831
596 YZM 0.8830
597 3R6 0.8830
598 92K 0.8830
599 XCZ 0.8829
600 TIU 0.8829
601 5MK 0.8829
602 3F0 0.8829
603 EA1 0.8828
604 7B4 0.8828
605 SNO 0.8828
606 VKC 0.8827
607 APG 0.8827
608 AE3 0.8826
609 FBS 0.8825
610 4MU 0.8824
611 FPI 0.8824
612 TZE 0.8823
613 8TX 0.8822
614 CWM 0.8822
615 SVN 0.8822
616 3DM 0.8821
617 UNJ 0.8821
618 47J 0.8820
619 8WT 0.8820
620 J1Z 0.8819
621 4HO 0.8819
622 BTY 0.8818
623 R2B 0.8818
624 IUR 0.8818
625 PHE 0.8818
626 7ME 0.8817
627 1WG 0.8816
628 ICO 0.8816
629 TC7 0.8815
630 4JU 0.8815
631 43M 0.8815
632 DAV 0.8814
633 0BP 0.8814
634 36Y 0.8814
635 H76 0.8811
636 CWS 0.8811
637 FYU 0.8810
638 MRW 0.8810
639 Q02 0.8810
640 67N 0.8809
641 CTL 0.8808
642 JAW 0.8807
643 2MH 0.8807
644 AHB 0.8805
645 M5K 0.8805
646 4CL 0.8805
647 NVI 0.8805
648 3AL 0.8804
649 2YU 0.8804
650 TLD 0.8804
651 0F9 0.8803
652 LYS 0.8803
653 SKA 0.8802
654 MEW 0.8801
655 795 0.8800
656 0W8 0.8800
657 6NA 0.8799
658 JDN 0.8799
659 6KT 0.8799
660 XQG 0.8798
661 150 0.8797
662 0NX 0.8795
663 1H1 0.8795
664 HMU 0.8795
665 RAT 0.8795
666 6GU 0.8794
667 PH3 0.8794
668 DIN 0.8793
669 RA7 0.8792
670 2EC 0.8792
671 3NY 0.8792
672 FA1 0.8791
673 A7W 0.8790
674 7W1 0.8790
675 LEA 0.8790
676 0P6 0.8789
677 N4B 0.8788
678 KDG 0.8787
679 AGK 0.8787
680 JKE 0.8787
681 1XM 0.8786
682 4HC 0.8786
683 TTL 0.8786
684 ZZT 0.8786
685 VNL 0.8786
686 4LW 0.8786
687 MWM 0.8785
688 5RN 0.8785
689 23J 0.8785
690 BCP 0.8784
691 2D0 0.8782
692 CH9 0.8782
693 4JO 0.8781
694 SDD 0.8780
695 M1A 0.8780
696 7WV 0.8780
697 0CU 0.8780
698 GLO 0.8779
699 TDR 0.8779
700 DAL DAL 0.8778
701 R67 0.8778
702 HT4 0.8777
703 5UC 0.8777
704 LT1 0.8777
705 XBZ 0.8776
706 0OC 0.8775
707 A2F 0.8775
708 URF 0.8775
709 N2Z 0.8775
710 2AK 0.8775
711 BPW 0.8774
712 2FT 0.8774
713 OW7 0.8774
714 4MV 0.8774
715 TAR 0.8773
716 5XA 0.8773
717 4ZE 0.8773
718 CFP 0.8773
719 HL4 0.8770
720 ORN 0.8770
721 9CA 0.8770
722 RD4 0.8768
723 PYJ 0.8767
724 T2C 0.8766
725 2XX 0.8766
726 4JJ 0.8766
727 PXL 0.8766
728 7MW 0.8764
729 7O4 0.8764
730 A5E 0.8764
731 2IT 0.8763
732 GGL 0.8763
733 XYP 0.8763
734 DEE 0.8763
735 27Y 0.8763
736 FBW 0.8762
737 13P 0.8761
738 DX4 0.8760
739 BR9 0.8760
740 Y8I 0.8760
741 NLE 0.8759
742 SYC 0.8758
743 8IG 0.8758
744 AQO 0.8758
745 IFP 0.8757
746 SSB 0.8757
747 BHL 0.8757
748 4BY 0.8756
749 DMG 0.8755
750 3ZB 0.8755
751 DAS 0.8755
752 AZ8 0.8754
753 9YL 0.8752
754 2AC 0.8751
755 15N 0.8751
756 LXC 0.8751
757 NDH 0.8751
758 MRY 0.8750
759 XAN 0.8750
760 JZ2 0.8749
761 1A7 0.8749
762 E7Z 0.8749
763 HQT 0.8748
764 ABU 0.8748
765 4Z4 0.8747
766 PE0 0.8746
767 ZXD 0.8746
768 A7N 0.8744
769 1IT 0.8744
770 R9Y 0.8744
771 JF6 0.8744
772 SJ5 0.8743
773 KTA 0.8741
774 ALA ALA 0.8740
775 0R0 0.8740
776 GAL 0.8740
777 JZ3 0.8740
778 3Z8 0.8740
779 AJV 0.8740
780 PGA 0.8740
781 SOE 0.8739
782 AG2 0.8739
783 2CO 0.8738
784 275 0.8737
785 82I 0.8737
786 9DG 0.8737
787 I4B 0.8737
788 URP 0.8736
789 MAK 0.8736
790 6FZ 0.8736
791 ADZ 0.8736
792 AMS 0.8735
793 DGJ 0.8735
794 9TZ 0.8734
795 GP9 0.8733
796 IDH 0.8733
797 SVD 0.8732
798 3C4 0.8732
799 B85 0.8731
800 PYD 0.8730
801 6CS 0.8730
802 ICF 0.8728
803 FDB 0.8728
804 141 0.8727
805 TIH 0.8727
806 IVA 0.8726
807 MLM 0.8726
808 45C 0.8726
809 B24 0.8725
810 5XB 0.8725
811 HCI 0.8725
812 MEV 0.8724
813 KP6 0.8724
814 4NB 0.8724
815 9X7 0.8723
816 WBU 0.8723
817 DHK 0.8722
818 DGL 0.8722
819 34A 0.8721
820 EKZ 0.8720
821 URS 0.8720
822 BDP 0.8719
823 KJY 0.8718
824 DHS 0.8718
825 5QX 0.8717
826 PD2 0.8717
827 CRS 0.8716
828 4TU 0.8716
829 RIB 0.8715
830 XYD 0.8713
831 AJ2 0.8713
832 QUS 0.8711
833 290 0.8711
834 MWP 0.8711
835 GCS 0.8711
836 52C 0.8711
837 4BL 0.8711
838 1LN 0.8711
839 QMP 0.8711
840 ESX 0.8710
841 HQE 0.8710
842 PXY 0.8710
843 23A 0.8708
844 KT7 0.8708
845 DOR 0.8706
846 ESP 0.8706
847 MUA 0.8706
848 3HP 0.8705
849 3HG 0.8704
850 1SQ 0.8704
851 C2Y 0.8704
852 NSD 0.8703
853 AZA 0.8701
854 AZG 0.8701
855 2MP 0.8700
856 WOT 0.8700
857 DFB 0.8699
858 4XF 0.8699
859 ORO 0.8699
860 51F 0.8698
861 DIU 0.8698
862 HGQ 0.8698
863 ONR 0.8696
864 A1U 0.8695
865 PAH 0.8694
866 DBX 0.8694
867 RNO 0.8693
868 ICP 0.8692
869 12Q 0.8692
870 F81 0.8689
871 PPY 0.8689
872 SR1 0.8688
873 TM7 0.8688
874 0V5 0.8687
875 PEQ 0.8687
876 C1M 0.8687
877 O72 0.8686
878 MAH 0.8685
879 H4E 0.8684
880 8CM 0.8684
881 ADE 0.8682
882 M4S 0.8681
883 HA5 0.8681
884 LYL 0.8680
885 MO8 0.8679
886 JND 0.8679
887 PCR 0.8679
888 OCT 0.8677
889 3PG 0.8675
890 LG4 0.8675
891 RCO 0.8674
892 1GP 0.8673
893 DA4 0.8673
894 25R 0.8673
895 9ZE 0.8672
896 2DR 0.8672
897 N8Y 0.8672
898 5IQ 0.8671
899 PRY 0.8671
900 APY 0.8669
901 286 0.8667
902 92P 0.8667
903 152 0.8666
904 BVG 0.8666
905 S24 0.8665
906 KJH 0.8665
907 3PY 0.8665
908 R8V 0.8664
909 IGA 0.8663
910 6VD 0.8663
911 4HS 0.8663
912 2AS 0.8661
913 SYM 0.8659
914 PPT 0.8659
915 X0V 0.8659
916 1NP 0.8657
917 FPY 0.8654
918 PJW 0.8652
919 LYN 0.8652
920 AW5 0.8651
921 XDK 0.8650
922 4YS 0.8650
923 FSG 0.8648
924 4CH 0.8648
925 NBE 0.8647
926 3V4 0.8647
927 DRL 0.8647
928 A09 0.8646
929 SLS 0.8645
930 N5J 0.8644
931 9FE 0.8644
932 AHC 0.8643
933 HPS 0.8643
934 ATX 0.8643
935 PSE 0.8643
936 JPZ 0.8642
937 DIR 0.8641
938 GWM 0.8640
939 TYE 0.8640
940 4FH 0.8636
941 3CH 0.8636
942 7VS 0.8634
943 PDC 0.8634
944 CRN 0.8634
945 5Q0 0.8633
946 QOS 0.8632
947 3QM 0.8627
948 XDE 0.8627
949 E1T 0.8627
950 PMF 0.8625
951 KIV 0.8624
952 26D 0.8623
953 61M 0.8622
954 HEW 0.8622
955 3HL 0.8622
956 FB1 0.8622
957 IQ0 0.8622
958 1LQ 0.8619
959 9MG 0.8619
960 3FH 0.8618
961 4H2 0.8617
962 G3F 0.8614
963 10L 0.8614
964 GF4 0.8613
965 SPA 0.8612
966 M3T 0.8611
967 M0W 0.8610
968 K5W 0.8606
969 284 0.8606
970 OXC 0.8605
971 QSH 0.8605
972 BVF 0.8604
973 HPA 0.8603
974 HHA 0.8602
975 CXP 0.8600
976 DA1 0.8600
977 PLQ 0.8593
978 B3R 0.8592
979 FPN 0.8590
980 92G 0.8589
981 M1Z 0.8588
982 8G0 0.8588
983 DVQ 0.8586
984 5RO 0.8586
985 BEA 0.8582
986 LTL 0.8580
987 1U6 0.8580
988 LG5 0.8579
989 D1X 0.8572
990 EV0 0.8571
991 HQD 0.8570
992 JBK 0.8570
993 K97 0.8567
994 GZ3 0.8566
995 M0Q 0.8566
996 4SX 0.8560
997 34D 0.8559
998 M1H 0.8555
999 DNF 0.8554
1000 CP 0.8554
1001 NXA 0.8554
1002 PQK 0.8551
1003 GZQ 0.8551
1004 CIG 0.8549
1005 FUL 0.8544
1006 TB6 0.8540
1007 2PG 0.8538
1008 HHQ 0.8536
1009 EQT 0.8535
1010 AZ9 0.8535
1011 FBV 0.8529
1012 IOM 0.8522
1013 KYD 0.8521
1014 PAE 0.8517
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
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