Receptor
PDB id Resolution Class Description Source Keywords
5I40 1.04 Å NON-ENZYME: OTHER BRD9 IN COMPLEX WITH CPD1 (6-METHYL-1,6-DIHYDRO-7H-PYRROLO[2 C]PYRIDIN-7-ONE) HOMO SAPIENS BROMODOMAIN INHIBITOR EPIGENETICS STRUCTURE-BASED DRUG DESIGBINDING PROTEIN
Ref.: DIVING INTO THE WATER: INDUCIBLE BINDING CONFORMATI BRD4, TAF1(2), BRD9, AND CECR2 BROMODOMAINS. J.MED.CHEM. V. 59 5391 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:201;
A:203;
A:202;
A:204;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
PEG A:205;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
67N A:206;
 Valid;
 none;
 ic50 = 13.7 uM
148.162 C8 H8 N2 O CN1C=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5I7Y 1.45 Å NON-ENZYME: OTHER BRD9 IN COMPLEX WITH CPD4 ((E)-3-(6-(BUT-2-EN-1-YL)-7-OXO-6, 1H-PYRROLO[2,3-C]PYRIDIN-4-YL)-N,N-DIMETHYLBENZAMIDE) HOMO SAPIENS BRD9 BROMODOMAIN EPIGENETICS STRUCTURE-BASED DESIGN TRAN
Ref.: DIVING INTO THE WATER: INDUCIBLE BINDING CONFORMATI BRD4, TAF1(2), BRD9, AND CECR2 BROMODOMAINS. J.MED.CHEM. V. 59 5391 2016
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5I7Y Kd = 52 nM 69G C20 H21 N3 O2 C/C=C/CN1C....
2 4UIW ic50 = 0.00000001 M H1B C22 H22 F3 N3 O3 S2 CCN1C=C(c2....
3 4UIV ic50 = 0.00000001 M XZB C21 H20 F3 N3 O3 S2 CN1C=C(c2c....
4 5JI8 Kd = 23.4 uM 6KT C8 H7 N3 O S c1cc2c(cc1....
5 5MKY ic50 = 2 uM I0D C15 H17 Cl N4 O CN1CCc2c(c....
6 4UIU ic50 = 0.00000001 M TVU C22 H24 N2 O6 S2 CN1C=C(c2c....
7 4UIT ic50 = 0.00000001 M N1D C22 H25 N3 O6 S2 CN1C=C(c2c....
8 5I40 ic50 = 13.7 uM 67N C8 H8 N2 O CN1C=Cc2cc....
9 5I7X Kd = 53 nM 67B C17 H17 N3 O2 CN1C=C(c2c....
70% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5I7Y Kd = 52 nM 69G C20 H21 N3 O2 C/C=C/CN1C....
2 4UIW ic50 = 0.00000001 M H1B C22 H22 F3 N3 O3 S2 CCN1C=C(c2....
3 4UIV ic50 = 0.00000001 M XZB C21 H20 F3 N3 O3 S2 CN1C=C(c2c....
4 5JI8 Kd = 23.4 uM 6KT C8 H7 N3 O S c1cc2c(cc1....
5 5MKY ic50 = 2 uM I0D C15 H17 Cl N4 O CN1CCc2c(c....
6 4UIU ic50 = 0.00000001 M TVU C22 H24 N2 O6 S2 CN1C=C(c2c....
7 4UIT ic50 = 0.00000001 M N1D C22 H25 N3 O6 S2 CN1C=C(c2c....
8 5I40 ic50 = 13.7 uM 67N C8 H8 N2 O CN1C=Cc2cc....
9 5I7X Kd = 53 nM 67B C17 H17 N3 O2 CN1C=C(c2c....
10 6V1B Kd = 37 nM H1B C22 H22 F3 N3 O3 S2 CCN1C=C(c2....
11 6V0X Kd = 277 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
12 4XY8 Kd = 397 nM 43U C12 H10 Br N5 O COc1ccc(cc....
13 5IGM Kd = 41.7 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
14 4Z6H Kd = 612 nM 4L2 C16 H18 N2 O2 CC1=CC(=O)....
15 6HM0 Kd = 73 nM GBW C50 H64 N8 O9 S Cc1c(scn1)....
16 5F1H Kd = 14.1 nM 5U6 C20 H23 N3 O3 CN1C=C(c2c....
17 5F1L ic50 = 21 nM 5U2 C19 H24 N2 O4 CC1=CC(=CN....
18 5F25 Kd = 9.1 uM 5TU C14 H14 N2 O2 CC1=CC(=CN....
19 4Z6I - 4L3 C27 H31 N3 O4 CC1=CC(=O)....
20 6V0S Kd = 16000 nM EAE C13 H15 N O2 S CCN1c2cc(c....
21 5EU1 Kd = 15.4 nM 5SW C20 H23 N3 O3 CN1C=C(c2c....
22 6V14 Kd = 82 nM QMG C20 H19 N3 O2 Cc1ccc(cc1....
23 5F2P Kd = 37.5 uM 5TY C10 H12 N4 O CN1C=Cc2c(....
24 6V1E Kd = 121 nM 5SW C20 H23 N3 O3 CN1C=C(c2c....
25 6V17 Kd = 148 nM H1B C22 H22 F3 N3 O3 S2 CCN1C=C(c2....
26 6V0Q Kd = 4200 nM EAE C13 H15 N O2 S CCN1c2cc(c....
27 6V1H Kd = 114 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
28 6V16 Kd = 556 nM QMG C20 H19 N3 O2 Cc1ccc(cc1....
29 6V1F Kd = 418 nM 5U6 C20 H23 N3 O3 CN1C=C(c2c....
50% Homology Family (64)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5I7Y Kd = 52 nM 69G C20 H21 N3 O2 C/C=C/CN1C....
2 4UIW ic50 = 0.00000001 M H1B C22 H22 F3 N3 O3 S2 CCN1C=C(c2....
3 4UIV ic50 = 0.00000001 M XZB C21 H20 F3 N3 O3 S2 CN1C=C(c2c....
4 5JI8 Kd = 23.4 uM 6KT C8 H7 N3 O S c1cc2c(cc1....
5 5MKY ic50 = 2 uM I0D C15 H17 Cl N4 O CN1CCc2c(c....
6 4UIU ic50 = 0.00000001 M TVU C22 H24 N2 O6 S2 CN1C=C(c2c....
7 4UIT ic50 = 0.00000001 M N1D C22 H25 N3 O6 S2 CN1C=C(c2c....
8 5I40 ic50 = 13.7 uM 67N C8 H8 N2 O CN1C=Cc2cc....
9 5I7X Kd = 53 nM 67B C17 H17 N3 O2 CN1C=C(c2c....
10 6V1B Kd = 37 nM H1B C22 H22 F3 N3 O3 S2 CCN1C=C(c2....
11 6V0X Kd = 277 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
12 4XY8 Kd = 397 nM 43U C12 H10 Br N5 O COc1ccc(cc....
13 5IGM Kd = 41.7 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
14 4Z6H Kd = 612 nM 4L2 C16 H18 N2 O2 CC1=CC(=O)....
15 6HM0 Kd = 73 nM GBW C50 H64 N8 O9 S Cc1c(scn1)....
16 5F1H Kd = 14.1 nM 5U6 C20 H23 N3 O3 CN1C=C(c2c....
17 5F1L ic50 = 21 nM 5U2 C19 H24 N2 O4 CC1=CC(=CN....
18 5F25 Kd = 9.1 uM 5TU C14 H14 N2 O2 CC1=CC(=CN....
19 4Z6I - 4L3 C27 H31 N3 O4 CC1=CC(=O)....
20 6V0S Kd = 16000 nM EAE C13 H15 N O2 S CCN1c2cc(c....
21 5EU1 Kd = 15.4 nM 5SW C20 H23 N3 O3 CN1C=C(c2c....
22 6V14 Kd = 82 nM QMG C20 H19 N3 O2 Cc1ccc(cc1....
23 5F2P Kd = 37.5 uM 5TY C10 H12 N4 O CN1C=Cc2c(....
24 5E3D Kd = 95 uM 5JL C5 H4 N4 O S2 C12=C(NC(=....
25 5C87 - 4YS C9 H7 N O c1ccc2c(c1....
26 5O4T - 9KT C10 H10 N2 O2 CN1c2ccccc....
27 5OV8 Kd = 18 uM AXN C24 H30 N4 O4 S CC(C)Cc1cc....
28 5O4S ic50 = 3.4 uM 9KW C24 H28 N4 O5 S CN1c2cc(c(....
29 5MWH Kd = 1.8 uM UWX C24 H30 N4 O5 S CC(C)Cc1cc....
30 5DY7 - 5GT C9 H7 F3 N2 O c1cc2c(cc1....
31 5T4V ic50 = 60 nM N48 C19 H17 N3 O4 S CC1=CC(=O)....
32 5DYC - 5GU C8 H7 Br N2 O c1cc2c(cc1....
33 5O55 - 9L5 C19 H23 N5 O2 CCN1c2ccc(....
34 5EQ1 Kd = 21 uM BEA C9 H8 N3 S Cc1cccc2c1....
35 5G4S ic50 = 1 uM 8VI C24 H31 N5 O3 CCN(c1cc2c....
36 5EWC - 5SJ C12 H14 N2 O3 CCOC(=O)c1....
37 5EPR Kd = 91 uM 5QY C9 H10 N2 O C[C@H]1C(=....
38 5EVA - 5S9 C11 H9 F2 N3 O Cn1c(ccn1)....
39 5ETD - 5RN C10 H9 N O CC(=O)c1c[....
40 5DYA - 5GV C11 H12 N2 O3 CC[C@@H]1C....
41 5EV9 - 5SB C14 H12 N4 O CC(=O)Nc1c....
42 5MYG Kd = 31 nM LS8 C19 H17 N3 O4 S CC1=Cc2cc(....
43 5MWZ Kd = 7.1 uM KGU C24 H36 N6 O3 CCN1c2cc(c....
44 5G4R ic50 = 7.943 nM LF1 C22 H27 N5 O3 C[C@@H]1CN....
45 5OWA Kd = 3.5 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
46 5EM3 - 5Q0 C9 H7 N O c1cc2c(ccc....
47 5ETB Kd = 29 uM 5RO C11 H11 N O Cc1cccc2c1....
48 4UYE Kd = 9.54 nM 9F9 C22 H26 N4 O3 CN1c2cc(c(....
49 5O5F - 9LT C22 H20 F N5 O3 CCN1c2ccc(....
50 5O5A - 9LN C22 H21 N5 O3 CCN1c2ccc(....
51 5O5H - 9LK C17 H14 Cl N3 O3 Cc1c(oc(n1....
52 5C7N Kd = 0.27 uM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
53 5EPS Kd = 38 uM 5QX C9 H10 N2 O CN1c2ccccc....
54 5MWG ic50 = 1.7 uM WGX C25 H30 N4 O4 S CN1c2cc(c(....
55 5D7X Kd = 15 uM XZ8 C14 H13 N3 O2 CC1=C(C(=O....
56 6EKQ Kd = 10.9 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
57 6V1E Kd = 121 nM 5SW C20 H23 N3 O3 CN1C=C(c2c....
58 6V17 Kd = 148 nM H1B C22 H22 F3 N3 O3 S2 CCN1C=C(c2....
59 6V0Q Kd = 4200 nM EAE C13 H15 N O2 S CCN1c2cc(c....
60 6V1H Kd = 114 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
61 6V16 Kd = 556 nM QMG C20 H19 N3 O2 Cc1ccc(cc1....
62 6V1F Kd = 418 nM 5U6 C20 H23 N3 O3 CN1C=C(c2c....
63 3RCW - MB3 C5 H9 N O CN1CCCC1=O
64 5N49 ic50 = 450 nM 8LW C22 H17 N3 O3 Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 67N; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 67N 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 67N; Similar ligands found: 1210
No: Ligand Similarity coefficient
1 M1A 0.9999
2 BGC 0.9841
3 7W1 0.9828
4 XYP 0.9828
5 12Q 0.9827
6 TTL 0.9827
7 KJH 0.9822
8 5QX 0.9798
9 HQT 0.9784
10 LXC 0.9778
11 PXL 0.9772
12 SKA 0.9766
13 5WV 0.9751
14 5Q0 0.9745
15 ISN 0.9740
16 O72 0.9723
17 1LM 0.9717
18 ADE 0.9713
19 24W 0.9712
20 5SG 0.9711
21 1NP 0.9710
22 GLC 0.9706
23 4YS 0.9705
24 5IQ 0.9703
25 HQY 0.9703
26 1SQ 0.9700
27 ES1 0.9698
28 EA1 0.9696
29 F60 0.9694
30 N5J 0.9694
31 6MP 0.9693
32 1LQ 0.9690
33 HPA 0.9690
34 G3F 0.9689
35 KKN 0.9686
36 BZX 0.9682
37 2K4 0.9680
38 R8V 0.9680
39 JPZ 0.9679
40 6AI 0.9678
41 ES7 0.9670
42 SAL 0.9669
43 14O 0.9667
44 JBH 0.9667
45 5MI 0.9665
46 5H1 0.9663
47 5MB 0.9661
48 9HX 0.9653
49 10L 0.9651
50 9DA 0.9650
51 BP1 0.9647
52 7W4 0.9647
53 G6D 0.9647
54 5CU 0.9646
55 Q88 0.9643
56 11S 0.9639
57 JAE 0.9637
58 ES9 0.9636
59 FA0 0.9634
60 NPO 0.9633
61 7WA 0.9632
62 7HP 0.9632
63 GIO 0.9632
64 IV2 0.9626
65 ES4 0.9626
66 4FS 0.9622
67 GCS 0.9622
68 NPY 0.9620
69 03V 0.9619
70 H42 0.9619
71 1PT 0.9618
72 COU 0.9611
73 4XH 0.9611
74 FK1 0.9610
75 ES5 0.9610
76 B53 0.9610
77 QUZ 0.9609
78 3F0 0.9606
79 PM6 0.9606
80 ES0 0.9602
81 2AQ 0.9602
82 H4N 0.9602
83 HH8 0.9600
84 DOB 0.9595
85 BE2 0.9594
86 AZ9 0.9592
87 CTL 0.9592
88 4SV 0.9590
89 5NU 0.9589
90 BTE 0.9588
91 3U4 0.9587
92 4M0 0.9586
93 PHB 0.9584
94 GUN 0.9577
95 ES6 0.9575
96 OCH 0.9574
97 9DG 0.9573
98 BDP 0.9570
99 0P6 0.9566
100 CWM 0.9565
101 4NC 0.9565
102 XAN 0.9564
103 8S0 0.9564
104 NQ 0.9562
105 BHA 0.9558
106 86J 0.9552
107 25W 0.9549
108 DHB 0.9548
109 8NY 0.9540
110 DEN 0.9538
111 ET2 0.9535
112 XYS 0.9531
113 VK3 0.9530
114 HBD 0.9526
115 CLW 0.9525
116 5RG 0.9525
117 270 0.9523
118 ABV 0.9520
119 141 0.9520
120 DBH 0.9519
121 AX7 0.9517
122 GRE 0.9517
123 AZA 0.9515
124 XQ0 0.9514
125 BZI 0.9514
126 RXA 0.9512
127 3HA 0.9511
128 CFP 0.9509
129 MT0 0.9508
130 AZG 0.9507
131 23A 0.9505
132 36R 0.9501
133 6AP 0.9501
134 7NI 0.9501
135 6M1 0.9501
136 HHA 0.9500
137 2CK 0.9500
138 3M0 0.9500
139 FYU 0.9499
140 5OB 0.9497
141 PAB 0.9496
142 3RK 0.9496
143 JB5 0.9495
144 IGA 0.9495
145 XX2 0.9494
146 A2F 0.9494
147 IND 0.9494
148 AHR 0.9494
149 2ZV 0.9493
150 SVN 0.9493
151 BEA 0.9493
152 PYQ 0.9491
153 B57 0.9490
154 FE DB1 0.9490
155 9EW 0.9489
156 XM0 0.9489
157 BZF 0.9487
158 4JP 0.9485
159 0CT 0.9483
160 1Y6 0.9483
161 IDM 0.9482
162 HZQ 0.9480
163 LZ1 0.9477
164 VGD 0.9476
165 2D0 0.9476
166 6F0 0.9475
167 495 0.9474
168 YH7 0.9473
169 GVH 0.9473
170 EQT 0.9472
171 CWS 0.9472
172 3WA 0.9472
173 1XM 0.9471
174 HMH 0.9470
175 1WD 0.9469
176 2MI 0.9469
177 GDE 0.9469
178 4XR 0.9469
179 MYJ 0.9468
180 PE0 0.9467
181 5RN 0.9467
182 SWD 0.9467
183 0R1 0.9464
184 TH7 0.9464
185 F05 0.9463
186 4AA 0.9462
187 JIF 0.9460
188 NNO 0.9459
189 1P8 0.9459
190 8CM 0.9459
191 P9P 0.9458
192 MPI 0.9457
193 6M9 0.9457
194 NOJ 0.9456
195 TEP 0.9455
196 290 0.9453
197 3ID 0.9451
198 SOE 0.9450
199 AZ8 0.9449
200 KUF 0.9449
201 INO 0.9448
202 5VM 0.9447
203 GTQ 0.9443
204 5M0 0.9443
205 TH0 0.9442
206 QX2 0.9441
207 Z82 0.9441
208 M6N 0.9440
209 Q24 0.9440
210 HQD 0.9440
211 JLZ 0.9440
212 BAM 0.9440
213 JKE 0.9439
214 QWW 0.9437
215 BEN 0.9436
216 FDB 0.9435
217 ES2 0.9434
218 BZ3 0.9434
219 KYD 0.9434
220 FHB 0.9432
221 NBZ 0.9432
222 4A3 0.9431
223 2HO 0.9431
224 URF 0.9431
225 XXR 0.9431
226 DMD 0.9430
227 37T 0.9430
228 NCA 0.9430
229 KJY 0.9429
230 MEW 0.9428
231 Q6T 0.9426
232 VNL 0.9426
233 0MK 0.9426
234 0RW 0.9425
235 AQO 0.9424
236 8GC 0.9423
237 6CS 0.9423
238 G5V 0.9422
239 ARB 0.9422
240 BOA 0.9419
241 1XN 0.9419
242 MCT 0.9419
243 DX4 0.9417
244 5XC 0.9417
245 ASO 0.9417
246 4MA 0.9416
247 JBQ 0.9416
248 ISE 0.9416
249 3PF 0.9414
250 93K 0.9413
251 HH5 0.9413
252 BEZ 0.9413
253 F5B 0.9412
254 ADK 0.9410
255 CHB 0.9410
256 173 0.9410
257 ADZ 0.9409
258 E7Z 0.9407
259 HLR 0.9407
260 3HM 0.9406
261 39A 0.9405
262 0CU 0.9405
263 0N7 0.9403
264 2HQ 0.9402
265 FBB 0.9399
266 PBZ 0.9399
267 PYD 0.9399
268 F81 0.9397
269 JFD 0.9397
270 0FN 0.9397
271 826 0.9396
272 URC 0.9396
273 I3A 0.9395
274 GAL 0.9394
275 4CS 0.9394
276 BTY 0.9392
277 TDR 0.9392
278 1MC 0.9391
279 A7W 0.9390
280 INE 0.9390
281 7WV 0.9389
282 WBU 0.9389
283 M5K 0.9387
284 8H8 0.9386
285 174 0.9386
286 3Z8 0.9383
287 P72 0.9382
288 QSB 0.9381
289 4HC 0.9380
290 NDH 0.9380
291 SKM 0.9380
292 7HQ 0.9379
293 P92 0.9379
294 6PC 0.9378
295 4HO 0.9378
296 SW7 0.9377
297 MWM 0.9377
298 XBZ 0.9377
299 DHK 0.9377
300 GCU 0.9377
301 NIO 0.9376
302 75K 0.9375
303 BCP 0.9374
304 K2T 0.9373
305 JZ9 0.9370
306 43M 0.9370
307 54G 0.9369
308 HBA 0.9368
309 MR1 0.9368
310 FUL 0.9368
311 1P7 0.9363
312 15L 0.9360
313 J9W 0.9360
314 RHU 0.9359
315 6M4 0.9359
316 3DM 0.9358
317 4ZE 0.9358
318 42C 0.9357
319 5B1 0.9353
320 GLA 0.9353
321 6GU 0.9352
322 7B4 0.9352
323 GYE 0.9351
324 AKH 0.9350
325 SWA 0.9350
326 NSP 0.9349
327 NID 0.9345
328 5QY 0.9345
329 YCP 0.9343
330 JBE 0.9342
331 3MA 0.9340
332 9TW 0.9340
333 9TZ 0.9338
334 92K 0.9337
335 149 0.9337
336 5WX 0.9334
337 QWN 0.9333
338 5MH 0.9333
339 RM1 0.9331
340 SYV 0.9330
341 GBD 0.9330
342 B55 0.9329
343 ICP 0.9328
344 0W8 0.9326
345 DIN 0.9325
346 4JO 0.9324
347 PZA 0.9323
348 82I 0.9323
349 3AB 0.9322
350 OXQ 0.9321
351 UNU 0.9321
352 VGL 0.9320
353 2H5 0.9320
354 LGC 0.9319
355 BE7 0.9318
356 NTN 0.9318
357 60P 0.9317
358 7VJ 0.9316
359 275 0.9315
360 2AC 0.9315
361 ICO 0.9314
362 8ZE 0.9314
363 0TR 0.9312
364 4JT 0.9310
365 CTS 0.9310
366 9MG 0.9309
367 AJ2 0.9308
368 1WG 0.9308
369 MS9 0.9307
370 5UC 0.9306
371 5JQ 0.9306
372 RAM 0.9306
373 NK 0.9305
374 7MH 0.9304
375 FOT 0.9304
376 MRW 0.9303
377 CFF 0.9301
378 24B 0.9299
379 UNC 0.9298
380 RSF 0.9298
381 EXO 0.9297
382 D48 0.9296
383 QXW 0.9295
384 G3E 0.9295
385 3FH 0.9295
386 HJP 0.9295
387 XAZ 0.9294
388 A1U 0.9294
389 2YU 0.9293
390 2FG 0.9293
391 2MP 0.9291
392 AC6 0.9291
393 GAG 0.9289
394 F9Y 0.9288
395 PFB 0.9288
396 32X 0.9284
397 34A 0.9284
398 HX3 0.9284
399 8TX 0.9283
400 APZ 0.9282
401 VNJ 0.9280
402 MQN 0.9280
403 EKZ 0.9279
404 3IT 0.9279
405 M1E 0.9278
406 XYD 0.9277
407 IHB 0.9277
408 RM4 0.9276
409 64K 0.9276
410 4Z4 0.9274
411 SS1 0.9274
412 FGZ 0.9272
413 XQG 0.9271
414 HMU 0.9271
415 TTY 0.9270
416 IFL 0.9269
417 INS 0.9269
418 GTR 0.9268
419 E5X 0.9266
420 NTZ 0.9265
421 3NT 0.9264
422 HT4 0.9263
423 M1Q 0.9261
424 TM7 0.9256
425 5MK 0.9255
426 1DW 0.9253
427 KT7 0.9252
428 IDH 0.9251
429 QBK 0.9250
430 8WO 0.9250
431 5AC 0.9249
432 HLZ 0.9248
433 JUG 0.9247
434 IUR 0.9247
435 SHG 0.9245
436 3HB 0.9244
437 JZ3 0.9244
438 FBT 0.9244
439 5WY 0.9242
440 KOJ 0.9241
441 5HN 0.9240
442 4JQ 0.9240
443 M0W 0.9240
444 HY3 0.9240
445 9KT 0.9236
446 0JD 0.9236
447 QSH 0.9235
448 T6C 0.9234
449 2ZQ 0.9232
450 MZG 0.9232
451 GAB 0.9230
452 IPB 0.9230
453 4JJ 0.9228
454 HFB 0.9228
455 4VP 0.9228
456 35C 0.9228
457 9FL 0.9227
458 SX1 0.9226
459 JZ2 0.9225
460 0TU 0.9225
461 SE2 0.9224
462 NOY 0.9224
463 DFB 0.9224
464 EVA 0.9224
465 BHO 0.9222
466 ZZT 0.9221
467 LT2 0.9221
468 ODO 0.9221
469 K17 0.9220
470 JBK 0.9219
471 OVV 0.9219
472 7ZE 0.9218
473 8IG 0.9217
474 2FY 0.9216
475 FUC 0.9215
476 4CL 0.9214
477 MAN 0.9214
478 RNS 0.9214
479 7CZ 0.9213
480 MUA 0.9211
481 5JL 0.9210
482 G2F 0.9209
483 TOF 0.9207
484 PYG 0.9207
485 FCR 0.9204
486 FPY 0.9204
487 LZM 0.9203
488 53C 0.9203
489 KJU 0.9202
490 V55 0.9202
491 RIP 0.9202
492 4BZ 0.9201
493 SHA 0.9200
494 FB1 0.9200
495 B62 0.9199
496 FCB 0.9195
497 XHP 0.9194
498 4YO 0.9193
499 PQ0 0.9192
500 97T 0.9192
501 PA1 0.9192
502 B60 0.9191
503 TLD 0.9191
504 PNZ 0.9187
505 AC0 0.9186
506 J5I 0.9184
507 IJZ 0.9184
508 1M2 0.9183
509 PXM 0.9183
510 PBC 0.9182
511 717 0.9181
512 5RO 0.9180
513 6NT 0.9178
514 RIB 0.9178
515 LDP 0.9178
516 5JC 0.9177
517 G4D 0.9177
518 G1O 0.9174
519 BCF 0.9173
520 X6X 0.9173
521 XIY 0.9172
522 J9Q 0.9172
523 0HO 0.9170
524 BBF 0.9170
525 M2K 0.9170
526 GIV 0.9170
527 DGJ 0.9169
528 JA8 0.9166
529 N2I 0.9166
530 44W 0.9164
531 R8A 0.9164
532 OXC 0.9163
533 680 0.9162
534 4JU 0.9161
535 FCA 0.9160
536 IFP 0.9160
537 MWJ 0.9159
538 8WT 0.9158
539 7VS 0.9157
540 3SK 0.9157
541 OAA 0.9156
542 3BZ 0.9155
543 DHQ 0.9155
544 OTW 0.9154
545 WCE 0.9153
546 F0J 0.9153
547 LKA 0.9153
548 X0V 0.9152
549 X05 0.9150
550 2BG 0.9148
551 FBV 0.9148
552 42A 0.9147
553 BR9 0.9147
554 DBJ 0.9146
555 DFU 0.9146
556 NDM 0.9145
557 C2U 0.9145
558 HIS 0.9145
559 12B 0.9144
560 0FO 0.9144
561 IFM 0.9144
562 6RQ 0.9142
563 MFB 0.9142
564 2MH 0.9142
565 RPQ 0.9140
566 2ZM 0.9139
567 L3Q 0.9139
568 DQN 0.9135
569 NIZ 0.9135
570 150 0.9134
571 3NY 0.9132
572 2EC 0.9132
573 MAQ 0.9131
574 FP1 0.9131
575 GCB 0.9131
576 ISZ 0.9130
577 TBS 0.9130
578 DRL 0.9130
579 3OC 0.9130
580 0HN 0.9129
581 ASP 0.9129
582 LI6 0.9127
583 ALL 0.9127
584 3MC 0.9125
585 4ME 0.9125
586 F4Z 0.9125
587 BPN 0.9124
588 5NI 0.9122
589 PRF 0.9122
590 2A9 0.9121
591 QSC 0.9120
592 WOO 0.9120
593 DQU 0.9119
594 0R0 0.9119
595 2MN 0.9118
596 2AK 0.9116
597 MBD 0.9116
598 27Y 0.9115
599 FLM 0.9115
600 SOR 0.9115
601 209 0.9114
602 LCN 0.9114
603 ORO 0.9113
604 1GN 0.9113
605 3FA 0.9111
606 Z5P 0.9110
607 KDV 0.9110
608 4P5 0.9110
609 PHH 0.9109
610 MO8 0.9109
611 SRT 0.9109
612 P3K 0.9107
613 LSA 0.9107
614 K5W 0.9107
615 52C 0.9107
616 IBF 0.9106
617 2CQ 0.9104
618 GOO 0.9104
619 F3B 0.9103
620 CWJ 0.9101
621 5GU 0.9101
622 FAN 0.9100
623 MBG 0.9100
624 H8N 0.9099
625 QPR 0.9098
626 PEY 0.9097
627 DNF 0.9097
628 HQE 0.9096
629 BRT 0.9094
630 2HU 0.9094
631 CFI 0.9094
632 H33 0.9092
633 ANN 0.9091
634 9CA 0.9090
635 4XV 0.9089
636 3MB 0.9088
637 261 0.9087
638 ARA 0.9083
639 GAF 0.9082
640 4M4 0.9081
641 HDH 0.9080
642 M0Q 0.9079
643 ZVO 0.9079
644 PCI 0.9079
645 GXY 0.9078
646 OVM 0.9077
647 FFP 0.9077
648 TSU 0.9077
649 FQI 0.9076
650 PLQ 0.9076
651 LG4 0.9076
652 GMN 0.9075
653 3XX 0.9074
654 SAN 0.9073
655 6MH 0.9070
656 MWP 0.9069
657 51R 0.9069
658 ABI 0.9066
659 FPI 0.9066
660 K34 0.9065
661 1IT 0.9064
662 QX4 0.9064
663 6NI 0.9063
664 FBA 0.9063
665 34D 0.9062
666 RSO 0.9062
667 PCR 0.9061
668 GXL 0.9061
669 1P3 0.9061
670 LMR 0.9060
671 44V 0.9060
672 DIU 0.9060
673 ADA 0.9058
674 282 0.9057
675 4PW 0.9057
676 1F1 0.9056
677 UAN 0.9055
678 AJV 0.9054
679 KBG 0.9054
680 45C 0.9054
681 9R5 0.9054
682 MNM 0.9053
683 BCU 0.9052
684 AW5 0.9051
685 PXY 0.9051
686 BMA 0.9051
687 BSX 0.9050
688 WOT 0.9050
689 S76 0.9049
690 D1X 0.9049
691 TM4 0.9048
692 DBX 0.9048
693 ASC 0.9048
694 NMJ 0.9047
695 J1Z 0.9046
696 FUF 0.9046
697 3DO 0.9046
698 4HM 0.9046
699 YTB 0.9046
700 TIU 0.9045
701 R8S 0.9043
702 PZI 0.9042
703 N8Y 0.9041
704 3A9 0.9040
705 FPN 0.9039
706 MVN 0.9039
707 PDC 0.9038
708 AZF 0.9037
709 I1N 0.9037
710 4XS 0.9036
711 4TU 0.9036
712 39O 0.9035
713 1U6 0.9035
714 94W 0.9034
715 4JL 0.9034
716 4SX 0.9034
717 QOS 0.9032
718 4FH 0.9032
719 4NM 0.9031
720 KIV 0.9031
721 YSO 0.9030
722 DOR 0.9030
723 DA1 0.9029
724 PBA 0.9029
725 F31 0.9029
726 MVL 0.9028
727 92P 0.9027
728 2C9 0.9027
729 OXZ 0.9027
730 YIO 0.9027
731 5CL 0.9023
732 Y8I 0.9023
733 KIB 0.9022
734 KIA 0.9022
735 4RU 0.9022
736 2MY 0.9021
737 EYK 0.9021
738 MAK 0.9021
739 TAR 0.9020
740 M1H 0.9020
741 QIC 0.9020
742 14J 0.9019
743 25R 0.9018
744 HIO 0.9017
745 15E 0.9017
746 6ME 0.9015
747 2A7 0.9014
748 X09 0.9014
749 GZL 0.9014
750 PHT 0.9013
751 JAW 0.9011
752 NTM 0.9011
753 286 0.9010
754 CLZ 0.9010
755 GJP 0.9010
756 HBX 0.9009
757 3CE 0.9008
758 TBP 0.9008
759 4MU 0.9007
760 AAS 0.9006
761 27B 0.9006
762 TLA 0.9005
763 GLF 0.9003
764 C2Y 0.9002
765 4HS 0.9002
766 DUB 0.9002
767 AFR 0.9001
768 94B 0.9000
769 DIE 0.9000
770 2AL 0.8997
771 AMC 0.8997
772 2FQ 0.8996
773 ABN 0.8992
774 LYL 0.8991
775 TGX 0.8990
776 IT2 0.8990
777 PY7 0.8989
778 9TY 0.8986
779 UFV 0.8984
780 L99 0.8984
781 DPZ 0.8983
782 3MH 0.8983
783 PHU 0.8982
784 UEG 0.8982
785 M58 0.8982
786 259 0.8980
787 C2B 0.8980
788 JTH 0.8979
789 MLT 0.8979
790 6VD 0.8976
791 FBS 0.8976
792 J9T 0.8975
793 DHR 0.8972
794 BR8 0.8972
795 PX7 0.8968
796 ZYR 0.8968
797 3MG 0.8968
798 4CH 0.8967
799 FDK 0.8967
800 HTP 0.8967
801 K8X 0.8966
802 4FA 0.8964
803 BML 0.8963
804 1HN 0.8961
805 4JN 0.8960
806 3Z7 0.8960
807 15N 0.8960
808 RMN 0.8959
809 TC7 0.8958
810 KLW 0.8957
811 4JM 0.8957
812 8OZ 0.8956
813 URP 0.8955
814 F9P 0.8954
815 2CM 0.8952
816 AEF 0.8952
817 PYF 0.8951
818 SXS 0.8949
819 DMJ 0.8949
820 F12 0.8945
821 12M 0.8945
822 GOG 0.8944
823 ABE 0.8944
824 SYN 0.8944
825 IF7 0.8943
826 BSP 0.8942
827 7WR 0.8942
828 2LY 0.8942
829 948 0.8939
830 FBM 0.8937
831 IP0 0.8936
832 NBE 0.8935
833 K32 0.8934
834 BDF 0.8931
835 FOA 0.8928
836 FA3 0.8928
837 E3D 0.8924
838 DYA 0.8923
839 RCO 0.8923
840 PH2 0.8923
841 DEE 0.8922
842 URA 0.8920
843 HXX 0.8919
844 C21 0.8918
845 4ZA 0.8918
846 329 0.8918
847 0F9 0.8918
848 2KA 0.8916
849 4J8 0.8914
850 6UA 0.8913
851 FDR 0.8912
852 PRO 0.8912
853 D07 0.8911
854 TP5 0.8911
855 7N0 0.8911
856 4WL 0.8909
857 CN0 0.8908
858 K6X 0.8906
859 PRZ 0.8905
860 23J 0.8905
861 JDN 0.8904
862 XBT 0.8904
863 IOL 0.8903
864 MAE 0.8902
865 PYC 0.8900
866 7B3 0.8898
867 LG3 0.8895
868 EUG 0.8894
869 A29 0.8893
870 URQ 0.8893
871 R2B 0.8892
872 MZB 0.8892
873 R9Y 0.8891
874 3ZQ 0.8891
875 FH2 0.8889
876 JXN 0.8889
877 GLT 0.8888
878 PAC 0.8888
879 NEQ 0.8888
880 M4E 0.8887
881 3CH 0.8887
882 FB2 0.8885
883 CYT 0.8885
884 7MU 0.8884
885 AX2 0.8883
886 GIM 0.8880
887 TZC 0.8879
888 3AY 0.8878
889 NK2 0.8878
890 K22 0.8876
891 1DV 0.8876
892 PZM 0.8876
893 MT5 0.8875
894 A13 0.8875
895 N7P 0.8874
896 YRL 0.8873
897 ECE 0.8872
898 4XX 0.8872
899 LNR 0.8871
900 SN4 0.8871
901 2PC 0.8871
902 OK7 0.8870
903 2DR 0.8870
904 FA1 0.8869
905 SVD 0.8869
906 1KP 0.8868
907 FLA 0.8868
908 TPA 0.8866
909 HA7 0.8866
910 CRS 0.8865
911 PCA 0.8863
912 3SL 0.8862
913 8W9 0.8860
914 AEZ 0.8860
915 KBB 0.8858
916 BK9 0.8857
917 CAQ 0.8856
918 AMG 0.8855
919 OW4 0.8854
920 13X 0.8854
921 LDU 0.8853
922 HNQ 0.8852
923 PD2 0.8851
924 X8D 0.8851
925 4ZC 0.8851
926 H62 0.8851
927 E1T 0.8850
928 TMZ 0.8849
929 J6W 0.8849
930 284 0.8849
931 273 0.8848
932 FLV 0.8847
933 AKG 0.8845
934 RB5 0.8843
935 GOX 0.8843
936 JBN 0.8842
937 5AN 0.8841
938 ASN 0.8841
939 AGK 0.8840
940 SJ5 0.8839
941 MSR 0.8839
942 ZBT 0.8839
943 F1A 0.8838
944 26D 0.8837
945 JB8 0.8835
946 PIM 0.8835
947 APG 0.8835
948 GJS 0.8832
949 KPL 0.8828
950 PAF 0.8828
951 7D2 0.8828
952 OXE 0.8828
953 SRO 0.8827
954 260 0.8826
955 FBW 0.8822
956 GIF 0.8820
957 IPZ 0.8820
958 GM7 0.8816
959 226 0.8816
960 GLL 0.8816
961 E7S 0.8816
962 28N 0.8815
963 TYL 0.8814
964 JND 0.8813
965 TSS 0.8811
966 1MR 0.8810
967 GVG 0.8810
968 PKU 0.8809
969 BZ2 0.8809
970 XXP 0.8809
971 WDL 0.8808
972 ZXD 0.8805
973 95Z 0.8804
974 TWO 0.8804
975 3R6 0.8802
976 AMS 0.8801
977 BNT 0.8801
978 TMT 0.8801
979 LG5 0.8800
980 PIY 0.8799
981 L89 0.8797
982 GCO 0.8797
983 6BL 0.8796
984 O2A 0.8796
985 HKD 0.8796
986 PMB 0.8792
987 XCZ 0.8791
988 JG8 0.8791
989 OA3 0.8790
990 ESP 0.8790
991 DUC 0.8789
992 VAL 0.8788
993 8G0 0.8787
994 2CH 0.8787
995 CGB 0.8785
996 AMH 0.8784
997 QAT 0.8783
998 OTR 0.8782
999 HQJ 0.8782
1000 D3M 0.8782
1001 GLU 0.8782
1002 2LP 0.8781
1003 LRH 0.8780
1004 45L 0.8780
1005 94N 0.8779
1006 5ZE 0.8779
1007 2XX 0.8778
1008 5NE 0.8776
1009 1AN 0.8776
1010 FPK 0.8774
1011 JZ1 0.8772
1012 MSN 0.8772
1013 9X7 0.8772
1014 HA5 0.8772
1015 92Z 0.8771
1016 8LG 0.8771
1017 DHS 0.8770
1018 RUU 0.8770
1019 069 0.8769
1020 HHR 0.8769
1021 CXF 0.8768
1022 40O 0.8768
1023 6LW 0.8764
1024 OHP 0.8764
1025 PBE 0.8759
1026 42J 0.8758
1027 1DU 0.8757
1028 1AB 0.8756
1029 9PY 0.8754
1030 EJZ 0.8753
1031 12T 0.8752
1032 BEW 0.8752
1033 M4T 0.8751
1034 6KT 0.8751
1035 BNS 0.8750
1036 NVU 0.8750
1037 JZ0 0.8750
1038 06B 0.8749
1039 2GS 0.8749
1040 ICB 0.8749
1041 N2Z 0.8748
1042 GZ8 0.8747
1043 FP2 0.8747
1044 BVF 0.8746
1045 HPY 0.8746
1046 4P0 0.8745
1047 8GF 0.8745
1048 23W 0.8745
1049 RBL 0.8744
1050 93Q 0.8742
1051 VOH 0.8739
1052 7ME 0.8738
1053 UFO 0.8738
1054 ICC 0.8738
1055 2PG 0.8738
1056 OVP 0.8737
1057 9RW 0.8736
1058 CPZ 0.8736
1059 DE5 0.8735
1060 47J 0.8734
1061 SLS 0.8734
1062 8HC 0.8733
1063 MRZ 0.8732
1064 N3W 0.8732
1065 8XQ 0.8729
1066 H6B 0.8729
1067 7WG 0.8722
1068 SYA 0.8721
1069 MMA 0.8721
1070 NGO 0.8721
1071 ONR 0.8720
1072 XYL 0.8720
1073 GNM 0.8720
1074 SS2 0.8719
1075 6FZ 0.8719
1076 KGK 0.8718
1077 265 0.8718
1078 0FK 0.8718
1079 OMD 0.8717
1080 PHE 0.8717
1081 A65 0.8717
1082 PEP 0.8716
1083 L7T 0.8715
1084 9FE 0.8714
1085 2AF 0.8714
1086 H5B 0.8713
1087 HTS 0.8713
1088 Q71 0.8712
1089 2ZX 0.8710
1090 9ZE 0.8710
1091 DQA 0.8709
1092 SNU 0.8708
1093 JU2 0.8708
1094 6KX 0.8707
1095 AJY 0.8707
1096 NCT 0.8707
1097 ERH 0.8704
1098 2F6 0.8703
1099 1SA 0.8703
1100 2TQ 0.8701
1101 PFL 0.8701
1102 GTZ 0.8700
1103 APY 0.8699
1104 938 0.8698
1105 1XX 0.8696
1106 ITN 0.8694
1107 ZZ3 0.8694
1108 C2A 0.8694
1109 DNA 0.8693
1110 K97 0.8692
1111 LDR 0.8691
1112 76X 0.8691
1113 ICF 0.8691
1114 TT4 0.8690
1115 FHN 0.8690
1116 QAS 0.8688
1117 VXX 0.8687
1118 8XL 0.8685
1119 GCW 0.8683
1120 JZ5 0.8682
1121 ZWZ 0.8681
1122 B5D 0.8676
1123 XRG 0.8675
1124 ZB1 0.8673
1125 HGQ 0.8672
1126 20J 0.8672
1127 XUL 0.8670
1128 PJW 0.8665
1129 6X8 0.8665
1130 B3R 0.8664
1131 FUD 0.8661
1132 EMZ 0.8660
1133 ESX 0.8660
1134 ESI 0.8659
1135 ALO 0.8658
1136 BP9 0.8657
1137 M2H 0.8655
1138 FUB 0.8654
1139 5NS 0.8654
1140 1DQ 0.8653
1141 3C1 0.8650
1142 9AP 0.8649
1143 ARW 0.8649
1144 HEW 0.8648
1145 KFH 0.8645
1146 L5V 0.8643
1147 MZW 0.8642
1148 XXG 0.8641
1149 MFU 0.8640
1150 AN3 0.8640
1151 4H2 0.8638
1152 YQA 0.8636
1153 AA 0.8636
1154 4NB 0.8635
1155 FBU 0.8635
1156 280 0.8635
1157 Q7A 0.8634
1158 CIG 0.8632
1159 GV9 0.8631
1160 I6G 0.8631
1161 HYP 0.8630
1162 SEP 0.8630
1163 1XA 0.8630
1164 TFB 0.8625
1165 KYA 0.8624
1166 OHG 0.8624
1167 DNC 0.8613
1168 M3T 0.8612
1169 SMV 0.8612
1170 CRN 0.8611
1171 DHY 0.8610
1172 FRU 0.8610
1173 4KL 0.8605
1174 428 0.8599
1175 MXN 0.8599
1176 YAN 0.8594
1177 KP6 0.8593
1178 ENL 0.8593
1179 BPU 0.8591
1180 M4S 0.8591
1181 THR 0.8591
1182 QY9 0.8590
1183 PBR 0.8590
1184 G12 0.8587
1185 JKZ 0.8586
1186 7MX 0.8585
1187 GCV 0.8584
1188 SF9 0.8583
1189 EV0 0.8582
1190 SMN 0.8582
1191 RAT 0.8580
1192 3V4 0.8580
1193 PEL 0.8576
1194 H76 0.8576
1195 JAB 0.8575
1196 TZE 0.8570
1197 JZ4 0.8567
1198 PYJ 0.8565
1199 449 0.8563
1200 3C2 0.8560
1201 FBG 0.8557
1202 F4E 0.8555
1203 GYP 0.8553
1204 0LH 0.8550
1205 LQ2 0.8549
1206 MHK 0.8541
1207 HHQ 0.8533
1208 TEO 0.8531
1209 H3M 0.8520
1210 H7Y 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5I7Y; Ligand: 69G; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 5i7y.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6J3O B4L 41.5842
2 5FDZ 5X0 41.5842
3 5FDZ 5X0 41.5842
4 6J3P B8O 42.5743
5 6J3P B8O 42.5743
6 5MLJ 9ST 42.5743
7 5TPX 7H7 43.5644
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