Receptor
PDB id Resolution Class Description Source Keywords
5O4T 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX HOMO SAPIENS BROMODOMAIN AND PHD FINGER-CONTAINING PROTEIN 1(BRPF1) MONOLEUKEMIA ZINC-FINGER (MOZ) INHIBITOR TRANSCRIPTION DNA BPROTEIN
Ref.: STRUCTURE-BASED DISCOVERY OF SELECTIVE BRPF1 BROMOD INHIBITORS. EUR J MED CHEM V. 155 337 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9KT A:801;
 Valid;
 none;
 submit data
190.199 C10 H10 N2 O2 CN1c2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UYE 1.65 Å NON-ENZYME: OTHER BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-DIMETHYL-2-OXO-6-( PIPERIDIN-1-YL)-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL-2- M ETHOXYBENZAMIDE HOMO SAPIENS TRANSCRIPTION INHIBITOR HISTONE EPIGENETIC READER ANTAGO
Ref.: 1,3-DIMETHYL BENZIMIDAZOLONES ARE POTENT, SELECTIVE INHIBITORS OF THE BRPF1 BROMODOMAIN. ACS MED.CHEM.LETT. V. 5 1190 2014
Members (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5E3G - 5JQ C5 H4 N4 O2 S C12=C(NC(=....
2 5T4U ic50 = 4800 nM 12Q C10 H9 N O CN1c2ccccc....
3 5EWH Kd = 170 uM 5SG C9 H7 N O c1cc2cnccc....
4 5C85 Kd = 105 uM 4YO C8 H7 Br N2 O c1cc2c(cc1....
5 5E3D Kd = 95 uM 5JL C5 H4 N4 O S2 C12=C(NC(=....
6 5C87 - 4YS C9 H7 N O c1ccc2c(c1....
7 5O4T - 9KT C10 H10 N2 O2 CN1c2ccccc....
8 5OV8 Kd = 18 uM AXN C24 H30 N4 O4 S CC(C)Cc1cc....
9 5O4S ic50 = 3.4 uM 9KW C24 H28 N4 O5 S CN1c2cc(c(....
10 5MWH Kd = 1.8 uM UWX C24 H30 N4 O5 S CC(C)Cc1cc....
11 5DY7 - 5GT C9 H7 F3 N2 O c1cc2c(cc1....
12 5T4V ic50 = 60 nM N48 C19 H17 N3 O4 S CC1=CC(=O)....
13 5DYC - 5GU C8 H7 Br N2 O c1cc2c(cc1....
14 5O55 - 9L5 C19 H23 N5 O2 CCN1c2ccc(....
15 5EQ1 Kd = 21 uM BEA C9 H8 N3 S Cc1cccc2c1....
16 5G4S ic50 = 1 uM 8VI C24 H31 N5 O3 CCN(c1cc2c....
17 5EWC - 5SJ C12 H14 N2 O3 CCOC(=O)c1....
18 5EPR Kd = 91 uM 5QY C9 H10 N2 O C[C@H]1C(=....
19 5EVA - 5S9 C11 H9 F2 N3 O Cn1c(ccn1)....
20 5ETD - 5RN C10 H9 N O CC(=O)c1c[....
21 5DYA - 5GV C11 H12 N2 O3 CC[C@@H]1C....
22 5EV9 - 5SB C14 H12 N4 O CC(=O)Nc1c....
23 5MYG Kd = 31 nM LS8 C19 H17 N3 O4 S CC1=Cc2cc(....
24 5MWZ Kd = 7.1 uM KGU C24 H36 N6 O3 CCN1c2cc(c....
25 5G4R ic50 = 7.943 nM LF1 C22 H27 N5 O3 C[C@@H]1CN....
26 5OWA Kd = 3.5 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
27 5EM3 - 5Q0 C9 H7 N O c1cc2c(ccc....
28 5ETB Kd = 29 uM 5RO C11 H11 N O Cc1cccc2c1....
29 4UYE Kd = 9.54 nM 9F9 C22 H26 N4 O3 CN1c2cc(c(....
30 5O5F - 9LT C22 H20 F N5 O3 CCN1c2ccc(....
31 5O5A - 9LN C22 H21 N5 O3 CCN1c2ccc(....
32 5O5H - 9LK C17 H14 Cl N3 O3 Cc1c(oc(n1....
33 5C7N Kd = 0.27 uM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
34 5EPS Kd = 38 uM 5QX C9 H10 N2 O CN1c2ccccc....
35 5MWG ic50 = 1.7 uM WGX C25 H30 N4 O4 S CN1c2cc(c(....
36 5D7X Kd = 15 uM XZ8 C14 H13 N3 O2 CC1=C(C(=O....
37 6EKQ Kd = 10.9 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
70% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5E3G - 5JQ C5 H4 N4 O2 S C12=C(NC(=....
2 5T4U ic50 = 4800 nM 12Q C10 H9 N O CN1c2ccccc....
3 5EWH Kd = 170 uM 5SG C9 H7 N O c1cc2cnccc....
4 5C85 Kd = 105 uM 4YO C8 H7 Br N2 O c1cc2c(cc1....
5 5E3D Kd = 95 uM 5JL C5 H4 N4 O S2 C12=C(NC(=....
6 5C87 - 4YS C9 H7 N O c1ccc2c(c1....
7 5O4T - 9KT C10 H10 N2 O2 CN1c2ccccc....
8 5OV8 Kd = 18 uM AXN C24 H30 N4 O4 S CC(C)Cc1cc....
9 5O4S ic50 = 3.4 uM 9KW C24 H28 N4 O5 S CN1c2cc(c(....
10 5MWH Kd = 1.8 uM UWX C24 H30 N4 O5 S CC(C)Cc1cc....
11 5DY7 - 5GT C9 H7 F3 N2 O c1cc2c(cc1....
12 5T4V ic50 = 60 nM N48 C19 H17 N3 O4 S CC1=CC(=O)....
13 5DYC - 5GU C8 H7 Br N2 O c1cc2c(cc1....
14 5O55 - 9L5 C19 H23 N5 O2 CCN1c2ccc(....
15 5EQ1 Kd = 21 uM BEA C9 H8 N3 S Cc1cccc2c1....
16 5G4S ic50 = 1 uM 8VI C24 H31 N5 O3 CCN(c1cc2c....
17 5EWC - 5SJ C12 H14 N2 O3 CCOC(=O)c1....
18 5EPR Kd = 91 uM 5QY C9 H10 N2 O C[C@H]1C(=....
19 5EVA - 5S9 C11 H9 F2 N3 O Cn1c(ccn1)....
20 5ETD - 5RN C10 H9 N O CC(=O)c1c[....
21 5DYA - 5GV C11 H12 N2 O3 CC[C@@H]1C....
22 5EV9 - 5SB C14 H12 N4 O CC(=O)Nc1c....
23 5MYG Kd = 31 nM LS8 C19 H17 N3 O4 S CC1=Cc2cc(....
24 5MWZ Kd = 7.1 uM KGU C24 H36 N6 O3 CCN1c2cc(c....
25 5G4R ic50 = 7.943 nM LF1 C22 H27 N5 O3 C[C@@H]1CN....
26 5OWA Kd = 3.5 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
27 5EM3 - 5Q0 C9 H7 N O c1cc2c(ccc....
28 5ETB Kd = 29 uM 5RO C11 H11 N O Cc1cccc2c1....
29 4UYE Kd = 9.54 nM 9F9 C22 H26 N4 O3 CN1c2cc(c(....
30 5O5F - 9LT C22 H20 F N5 O3 CCN1c2ccc(....
31 5O5A - 9LN C22 H21 N5 O3 CCN1c2ccc(....
32 5O5H - 9LK C17 H14 Cl N3 O3 Cc1c(oc(n1....
33 5C7N Kd = 0.27 uM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
34 5EPS Kd = 38 uM 5QX C9 H10 N2 O CN1c2ccccc....
35 5MWG ic50 = 1.7 uM WGX C25 H30 N4 O4 S CN1c2cc(c(....
36 5D7X Kd = 15 uM XZ8 C14 H13 N3 O2 CC1=C(C(=O....
37 6EKQ Kd = 10.9 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
38 3RCW - MB3 C5 H9 N O CN1CCCC1=O
39 5N49 ic50 = 450 nM 8LW C22 H17 N3 O3 Cc1cc2c(cc....
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: 9KT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9KT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 9KT; Similar ligands found: 845
No: Ligand Similarity coefficient
1 LI6 0.9995
2 TEP 0.9846
3 209 0.9814
4 CFF 0.9784
5 0N7 0.9775
6 NQ 0.9763
7 RXA 0.9758
8 HQD 0.9748
9 H33 0.9746
10 VK3 0.9741
11 AZ9 0.9728
12 BGC 0.9721
13 G3F 0.9710
14 8S0 0.9654
15 PHH 0.9597
16 GLC 0.9588
17 PFB 0.9570
18 2FQ 0.9561
19 TTL 0.9560
20 K32 0.9558
21 ZVO 0.9555
22 TBS 0.9551
23 PYQ 0.9544
24 B57 0.9541
25 JUG 0.9531
26 HNQ 0.9530
27 TOF 0.9526
28 12Q 0.9514
29 DPZ 0.9513
30 Q24 0.9506
31 AJ2 0.9506
32 HZQ 0.9505
33 MT0 0.9501
34 G1O 0.9497
35 KJH 0.9497
36 BEA 0.9496
37 HQT 0.9495
38 K17 0.9489
39 ISE 0.9488
40 495 0.9487
41 PE0 0.9480
42 5QX 0.9480
43 3PF 0.9477
44 APZ 0.9476
45 J9W 0.9475
46 NDM 0.9471
47 Q6T 0.9469
48 12B 0.9468
49 2ZQ 0.9467
50 8XQ 0.9465
51 AZ8 0.9462
52 ZYR 0.9460
53 AQO 0.9455
54 GCS 0.9453
55 680 0.9453
56 M5K 0.9453
57 NTZ 0.9450
58 TTY 0.9447
59 MEW 0.9446
60 7W1 0.9444
61 PX7 0.9438
62 6BL 0.9436
63 M6N 0.9434
64 7ZE 0.9430
65 G3E 0.9430
66 HTP 0.9430
67 37T 0.9429
68 AKH 0.9424
69 M1Q 0.9421
70 4HC 0.9418
71 5QY 0.9418
72 SE2 0.9415
73 GIM 0.9414
74 X8D 0.9411
75 5WY 0.9408
76 K22 0.9406
77 XHP 0.9402
78 226 0.9402
79 FLV 0.9398
80 NOJ 0.9396
81 AEZ 0.9396
82 D48 0.9392
83 42C 0.9391
84 JBQ 0.9387
85 B62 0.9387
86 4AA 0.9381
87 BSP 0.9379
88 B60 0.9378
89 HLZ 0.9376
90 BDP 0.9376
91 URC 0.9375
92 7B3 0.9367
93 SHG 0.9367
94 3IT 0.9365
95 FDB 0.9364
96 J5I 0.9360
97 INS 0.9360
98 HFB 0.9357
99 OTW 0.9356
100 4MU 0.9353
101 8CM 0.9344
102 7NI 0.9342
103 EA1 0.9342
104 CTS 0.9342
105 R8V 0.9340
106 44W 0.9340
107 0P6 0.9340
108 DQU 0.9340
109 NID 0.9340
110 QBK 0.9337
111 15L 0.9336
112 K6X 0.9333
113 4KL 0.9330
114 PEY 0.9327
115 G5V 0.9326
116 3WA 0.9324
117 1NP 0.9322
118 3MG 0.9322
119 ES1 0.9321
120 5Q0 0.9316
121 1SQ 0.9316
122 SKA 0.9315
123 3F0 0.9313
124 BTY 0.9313
125 CLZ 0.9313
126 QX4 0.9313
127 44V 0.9313
128 PCI 0.9311
129 DBH 0.9310
130 MAQ 0.9310
131 A7W 0.9309
132 3HA 0.9309
133 CWS 0.9309
134 FE DB1 0.9307
135 3M0 0.9307
136 HJP 0.9306
137 4YS 0.9305
138 HQY 0.9304
139 MUA 0.9303
140 0FO 0.9302
141 DQN 0.9302
142 O72 0.9296
143 GAL 0.9296
144 6ME 0.9295
145 JPZ 0.9295
146 5SG 0.9295
147 JBH 0.9295
148 PXL 0.9294
149 DIN 0.9292
150 LGC 0.9292
151 MT5 0.9290
152 5RO 0.9289
153 32X 0.9289
154 MVL 0.9288
155 KUF 0.9287
156 4ME 0.9287
157 IV2 0.9286
158 PQ0 0.9286
159 5IQ 0.9285
160 N5J 0.9285
161 AJV 0.9284
162 1LQ 0.9284
163 24W 0.9284
164 K8X 0.9281
165 Z5P 0.9281
166 RPQ 0.9280
167 DNF 0.9277
168 6F0 0.9276
169 1LM 0.9276
170 KJY 0.9270
171 DNC 0.9270
172 LDR 0.9269
173 XAZ 0.9268
174 GRE 0.9268
175 4AN 0.9266
176 JG8 0.9265
177 TIY 0.9265
178 MO8 0.9263
179 MVN 0.9263
180 BCF 0.9262
181 AZA 0.9262
182 92K 0.9262
183 KT7 0.9261
184 AA 0.9260
185 28N 0.9257
186 GIO 0.9256
187 75K 0.9256
188 UAN 0.9255
189 2ZV 0.9254
190 3ID 0.9252
191 QX2 0.9252
192 B55 0.9251
193 VNL 0.9246
194 9DG 0.9246
195 2H5 0.9243
196 FOT 0.9242
197 G6D 0.9241
198 INE 0.9240
199 QPR 0.9240
200 67N 0.9236
201 DRL 0.9230
202 8TX 0.9229
203 XAN 0.9227
204 CFP 0.9226
205 2KA 0.9224
206 2AK 0.9222
207 UFO 0.9222
208 MT8 0.9221
209 5JQ 0.9219
210 GUN 0.9219
211 BNT 0.9218
212 N8Y 0.9216
213 537 0.9213
214 MRW 0.9212
215 ANF 0.9212
216 6M1 0.9206
217 9FL 0.9206
218 OA3 0.9205
219 DMD 0.9205
220 IJZ 0.9201
221 IGA 0.9201
222 X05 0.9200
223 18N 0.9200
224 HHA 0.9200
225 PRF 0.9199
226 141 0.9199
227 4RU 0.9199
228 F3B 0.9198
229 JTH 0.9198
230 7WR 0.9194
231 9AP 0.9193
232 UNC 0.9191
233 M1A 0.9188
234 2D0 0.9186
235 FDR 0.9185
236 8HC 0.9185
237 4XH 0.9184
238 GTR 0.9184
239 25W 0.9184
240 IBF 0.9183
241 39A 0.9181
242 SYV 0.9180
243 BPU 0.9180
244 A2F 0.9177
245 9MG 0.9176
246 6VD 0.9175
247 M0W 0.9175
248 1HN 0.9174
249 I6G 0.9171
250 E1K 0.9169
251 6AP 0.9168
252 HH8 0.9168
253 ICO 0.9167
254 ZZ8 0.9166
255 LT2 0.9165
256 5RN 0.9165
257 5WX 0.9164
258 AZG 0.9163
259 ES0 0.9159
260 GCU 0.9159
261 7VS 0.9157
262 290 0.9154
263 3Z8 0.9154
264 M0Q 0.9153
265 6RQ 0.9151
266 ISN 0.9148
267 GJP 0.9148
268 7ME 0.9147
269 Q88 0.9146
270 DNA 0.9146
271 CWM 0.9145
272 BBF 0.9143
273 IBM 0.9142
274 COU 0.9142
275 KKN 0.9141
276 9CA 0.9139
277 F12 0.9138
278 PXM 0.9137
279 GDE 0.9134
280 DX4 0.9133
281 GCB 0.9132
282 30G 0.9132
283 YH7 0.9128
284 6GU 0.9128
285 1IT 0.9127
286 MM1 0.9126
287 5WV 0.9126
288 G12 0.9125
289 M1H 0.9124
290 2LY 0.9123
291 OCH 0.9121
292 DHQ 0.9120
293 2AQ 0.9120
294 CH9 0.9119
295 HKD 0.9118
296 1XM 0.9116
297 39O 0.9116
298 CTL 0.9116
299 03V 0.9115
300 PH2 0.9113
301 NDH 0.9110
302 GOG 0.9107
303 8IG 0.9106
304 DHK 0.9106
305 15N 0.9106
306 UEG 0.9105
307 FBG 0.9102
308 EQT 0.9100
309 H5B 0.9099
310 H42 0.9099
311 JU2 0.9098
312 5JL 0.9095
313 ES7 0.9095
314 JR2 0.9094
315 XQ0 0.9093
316 82I 0.9093
317 92P 0.9091
318 7W4 0.9090
319 L7T 0.9090
320 THA 0.9086
321 5WU 0.9083
322 JB5 0.9081
323 QWW 0.9080
324 4FS 0.9080
325 ES5 0.9079
326 5NS 0.9077
327 F5B 0.9075
328 C2Y 0.9074
329 BOA 0.9074
330 GLA 0.9074
331 BPY 0.9073
332 3FH 0.9072
333 XXP 0.9071
334 GZL 0.9071
335 3GQ 0.9066
336 5CU 0.9065
337 E7Z 0.9064
338 8MO 0.9063
339 FA0 0.9060
340 ADK 0.9060
341 UQ 0.9059
342 B53 0.9059
343 ADZ 0.9057
344 DOB 0.9056
345 YSO 0.9051
346 0FK 0.9050
347 7VJ 0.9050
348 Q71 0.9050
349 AY4 0.9048
350 27B 0.9048
351 BHA 0.9046
352 0W8 0.9045
353 BMA 0.9041
354 15E 0.9040
355 0FN 0.9040
356 F1A 0.9038
357 MZB 0.9037
358 4JQ 0.9036
359 DX3 0.9035
360 5NU 0.9034
361 PJW 0.9034
362 7HQ 0.9033
363 5NE 0.9032
364 5VL 0.9030
365 8W9 0.9030
366 4M0 0.9029
367 HH5 0.9028
368 K37 0.9027
369 GYE 0.9025
370 EVA 0.9025
371 EJZ 0.9025
372 KJU 0.9024
373 MQN 0.9023
374 86J 0.9023
375 0F9 0.9022
376 C2U 0.9021
377 2EC 0.9020
378 DBJ 0.9020
379 3MA 0.9020
380 0CU 0.9019
381 1X7 0.9019
382 7B4 0.9018
383 GJS 0.9018
384 KIF 0.9018
385 1KP 0.9018
386 PHT 0.9017
387 INO 0.9015
388 GTZ 0.9014
389 4NC 0.9012
390 SOE 0.9011
391 NAG 0.9011
392 MXX 0.9011
393 582 0.9011
394 GM7 0.9009
395 GV9 0.9008
396 0JD 0.9006
397 06B 0.9003
398 3J8 0.9003
399 AJY 0.9003
400 BCP 0.9003
401 KIA 0.9002
402 KIB 0.9002
403 SWA 0.9001
404 X09 0.9000
405 2HQ 0.8998
406 52C 0.8997
407 XX2 0.8995
408 DHB 0.8994
409 0HO 0.8993
410 1U6 0.8992
411 HHR 0.8992
412 SRO 0.8990
413 Q7A 0.8989
414 F31 0.8986
415 DPT 0.8985
416 K3Q 0.8985
417 1XN 0.8983
418 JKZ 0.8981
419 VXX 0.8981
420 GIV 0.8981
421 MYJ 0.8980
422 JLZ 0.8980
423 HIS 0.8979
424 I3A 0.8979
425 4A3 0.8978
426 G2F 0.8976
427 NNO 0.8975
428 FHB 0.8974
429 2HO 0.8974
430 1GN 0.8972
431 3NY 0.8972
432 329 0.8971
433 AN3 0.8971
434 F0J 0.8967
435 D07 0.8965
436 64C 0.8964
437 XXR 0.8963
438 3HM 0.8963
439 TWO 0.8962
440 GNM 0.8962
441 2D3 0.8962
442 3QV 0.8961
443 3C1 0.8960
444 ASO 0.8960
445 0HN 0.8958
446 JBK 0.8958
447 4TU 0.8958
448 SWD 0.8957
449 ADA 0.8957
450 SOR 0.8955
451 54X 0.8955
452 ALL 0.8955
453 FGZ 0.8955
454 4YO 0.8954
455 6NT 0.8954
456 93K 0.8951
457 2HU 0.8951
458 23A 0.8950
459 0TU 0.8949
460 4Z4 0.8948
461 8WO 0.8948
462 G1P 0.8948
463 KBG 0.8947
464 5M0 0.8946
465 QUZ 0.8946
466 P9P 0.8945
467 M2K 0.8943
468 CN0 0.8943
469 PDC 0.8943
470 ONR 0.8942
471 TT4 0.8941
472 NPY 0.8938
473 BTE 0.8937
474 2ZM 0.8937
475 K44 0.8936
476 SKM 0.8934
477 Q77 0.8934
478 MS9 0.8934
479 GTQ 0.8932
480 FBT 0.8931
481 BZJ 0.8931
482 MBG 0.8930
483 1F1 0.8930
484 ES6 0.8930
485 KGK 0.8930
486 LKA 0.8930
487 2K8 0.8927
488 8WT 0.8924
489 SHA 0.8922
490 CHB 0.8921
491 HPA 0.8921
492 5RG 0.8919
493 NTM 0.8919
494 3U4 0.8918
495 ROI 0.8915
496 XQG 0.8915
497 SAL 0.8915
498 ET2 0.8913
499 BE2 0.8911
500 149 0.8911
501 3RK 0.8910
502 8ZE 0.8910
503 PRZ 0.8909
504 GZ8 0.8907
505 DIU 0.8907
506 I1N 0.8906
507 ODO 0.8906
508 4SV 0.8905
509 20J 0.8905
510 ESI 0.8904
511 XM5 0.8903
512 MAN 0.8903
513 5OB 0.8903
514 5GU 0.8901
515 SVN 0.8901
516 5VJ 0.8900
517 V55 0.8900
518 QAT 0.8900
519 54G 0.8899
520 4XV 0.8899
521 9TW 0.8896
522 ADE 0.8895
523 ES2 0.8895
524 LSA 0.8894
525 A29 0.8893
526 0XT 0.8892
527 LZ2 0.8892
528 NVU 0.8891
529 6MP 0.8891
530 QWN 0.8890
531 BK9 0.8890
532 3C2 0.8890
533 M1E 0.8890
534 KFH 0.8890
535 AHR 0.8889
536 10L 0.8889
537 MHK 0.8888
538 6QF 0.8886
539 ABI 0.8885
540 CLW 0.8883
541 E1T 0.8882
542 5NI 0.8881
543 GOX 0.8880
544 E7R 0.8880
545 HA5 0.8880
546 1XA 0.8879
547 APS 0.8879
548 B5D 0.8879
549 HBO 0.8879
550 ORO 0.8879
551 OXC 0.8879
552 BP1 0.8878
553 2FG 0.8877
554 KYD 0.8877
555 3A9 0.8877
556 JXN 0.8876
557 DRG 0.8875
558 BA5 0.8873
559 NDG 0.8872
560 XYP 0.8870
561 AIN 0.8868
562 1P8 0.8867
563 6NI 0.8867
564 QAS 0.8864
565 36R 0.8864
566 9R5 0.8863
567 2FY 0.8863
568 1P7 0.8863
569 KYA 0.8863
570 9DA 0.8862
571 B56 0.8860
572 FBB 0.8860
573 NGO 0.8860
574 6CS 0.8859
575 BZX 0.8859
576 7WA 0.8857
577 TVP 0.8857
578 4JT 0.8856
579 UFV 0.8856
580 GAF 0.8852
581 3DM 0.8850
582 N3W 0.8850
583 5XC 0.8848
584 GF4 0.8848
585 1WD 0.8847
586 5CL 0.8846
587 EKZ 0.8845
588 2AL 0.8843
589 PBR 0.8841
590 JKE 0.8841
591 HLD 0.8840
592 4M4 0.8840
593 ZB1 0.8839
594 6M9 0.8839
595 14O 0.8839
596 344 0.8839
597 9HX 0.8839
598 7HP 0.8839
599 EN1 0.8838
600 39U 0.8837
601 WOO 0.8837
602 9EW 0.8837
603 K2T 0.8837
604 E7S 0.8836
605 XQK 0.8835
606 EXO 0.8835
607 5MK 0.8834
608 F60 0.8834
609 4XS 0.8833
610 N2I 0.8833
611 5H1 0.8831
612 J9Q 0.8831
613 2K4 0.8830
614 LZM 0.8830
615 HLR 0.8829
616 JBE 0.8829
617 DEE 0.8827
618 6AI 0.8826
619 SXS 0.8826
620 GCO 0.8823
621 XFE 0.8822
622 JAE 0.8821
623 F05 0.8821
624 ASC 0.8820
625 QXW 0.8820
626 173 0.8819
627 IHB 0.8818
628 HQJ 0.8817
629 KLW 0.8817
630 BZ3 0.8816
631 97T 0.8815
632 X6X 0.8814
633 F2W 0.8814
634 L99 0.8814
635 P3K 0.8812
636 KJ5 0.8810
637 C9E 0.8810
638 IFL 0.8809
639 7WV 0.8807
640 ES4 0.8807
641 8XL 0.8807
642 ARP 0.8805
643 3TJ 0.8805
644 SYA 0.8800
645 5B1 0.8800
646 7I2 0.8800
647 ANC 0.8800
648 1QP 0.8799
649 K25 0.8798
650 5MI 0.8797
651 GXL 0.8796
652 42A 0.8794
653 RM1 0.8794
654 X0W 0.8793
655 TGX 0.8793
656 23J 0.8792
657 V1T 0.8788
658 5MB 0.8788
659 2JK 0.8787
660 N0Z 0.8787
661 YQA 0.8786
662 0RW 0.8786
663 AW5 0.8785
664 270 0.8785
665 AX7 0.8785
666 GLT 0.8784
667 2CK 0.8784
668 68A 0.8783
669 ZWZ 0.8783
670 5VM 0.8777
671 1WG 0.8777
672 OVM 0.8776
673 RAM 0.8775
674 3AB 0.8774
675 X0V 0.8772
676 GSY 0.8772
677 3MB 0.8771
678 9TZ 0.8770
679 EMZ 0.8770
680 9ZE 0.8770
681 ABV 0.8768
682 CCV 0.8767
683 ZZZ 0.8767
684 O2A 0.8763
685 DOR 0.8761
686 4V6 0.8759
687 4HM 0.8758
688 53C 0.8758
689 1U1 0.8757
690 0GZ 0.8757
691 HHS 0.8757
692 1A7 0.8756
693 DK1 0.8756
694 8NX 0.8755
695 OMD 0.8751
696 FH2 0.8751
697 4P5 0.8748
698 VGD 0.8747
699 TQU 0.8746
700 FDK 0.8744
701 67X 0.8743
702 E3D 0.8743
703 PM6 0.8743
704 9FE 0.8742
705 H6B 0.8742
706 6M4 0.8741
707 NOY 0.8740
708 BZ2 0.8737
709 AMG 0.8736
710 SYR 0.8734
711 TH7 0.8734
712 KDV 0.8733
713 YIO 0.8733
714 DMJ 0.8732
715 11S 0.8732
716 J9T 0.8732
717 2F6 0.8731
718 3HB 0.8730
719 JND 0.8730
720 LDP 0.8730
721 0W1 0.8726
722 2MI 0.8726
723 ES9 0.8725
724 JDN 0.8725
725 LAO 0.8725
726 IFP 0.8720
727 5HN 0.8719
728 CKA 0.8719
729 GAB 0.8719
730 CWJ 0.8718
731 3NT 0.8710
732 L5V 0.8710
733 2CQ 0.8710
734 GCW 0.8708
735 TNF 0.8706
736 HA7 0.8704
737 GXY 0.8702
738 1DW 0.8701
739 BHO 0.8698
740 6R8 0.8697
741 ESP 0.8697
742 9PY 0.8696
743 94W 0.8696
744 OVV 0.8695
745 PA1 0.8695
746 4WL 0.8695
747 EYK 0.8694
748 8GK 0.8693
749 XIY 0.8693
750 8GC 0.8690
751 150 0.8689
752 FA3 0.8688
753 505 0.8687
754 LNR 0.8684
755 FK1 0.8683
756 H4N 0.8683
757 JYB 0.8682
758 4CS 0.8682
759 PHE 0.8680
760 EUG 0.8680
761 091 0.8680
762 D1X 0.8679
763 SVD 0.8677
764 X0U 0.8676
765 3RI 0.8673
766 4SX 0.8668
767 293 0.8668
768 JP2 0.8668
769 JAW 0.8667
770 1M2 0.8664
771 FYU 0.8664
772 A13 0.8661
773 JXW 0.8660
774 MMA 0.8660
775 7MX 0.8660
776 MWP 0.8660
777 6X9 0.8659
778 GCV 0.8658
779 VOH 0.8658
780 FP1 0.8658
781 M5N 0.8657
782 7D2 0.8656
783 NCT 0.8656
784 PHB 0.8655
785 5TY 0.8654
786 49O 0.8652
787 GT0 0.8651
788 4FH 0.8646
789 3R6 0.8643
790 KOJ 0.8643
791 PD2 0.8640
792 SJ5 0.8638
793 EGR 0.8636
794 NPO 0.8636
795 ICB 0.8632
796 6XI 0.8632
797 HMU 0.8631
798 IPB 0.8630
799 QIC 0.8622
800 JIF 0.8620
801 SLS 0.8619
802 4ZA 0.8618
803 261 0.8618
804 KLK 0.8618
805 T6C 0.8617
806 DGJ 0.8616
807 WCE 0.8614
808 8NY 0.8610
809 DBX 0.8610
810 2BG 0.8609
811 ZXD 0.8608
812 7FF 0.8608
813 JFD 0.8607
814 2A9 0.8604
815 FB1 0.8603
816 HMH 0.8602
817 F6P 0.8601
818 45C 0.8600
819 DIE 0.8599
820 35C 0.8595
821 VNJ 0.8594
822 7MU 0.8594
823 W8G 0.8594
824 F9Y 0.8592
825 7MH 0.8590
826 GTL 0.8589
827 BIK 0.8588
828 HXX 0.8587
829 EXD 0.8587
830 FBV 0.8585
831 3XX 0.8585
832 1Y6 0.8581
833 D3M 0.8580
834 9LI 0.8579
835 2O6 0.8573
836 TFU 0.8570
837 OW4 0.8570
838 F4Z 0.8567
839 FHN 0.8559
840 LT8 0.8556
841 TC7 0.8553
842 BRV 0.8546
843 BRT 0.8545
844 ISZ 0.8542
845 ZZT 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UYE; Ligand: 9F9; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 4uye.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4YC9 4C1 35.5932
2 6J3O B4L 38.1356
3 5MLJ 9ST 40.1786
4 5ML0 P2L 45.4545
Pocket No.: 2; Query (leader) PDB : 4UYE; Ligand: 9F9; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 4uye.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6J3P B8O 38.1356
2 6J3O B4L 38.1356
3 6J3P B8O 38.1356
4 5TPX 7H7 38.9831
5 5MLJ 9ST 40.1786
6 5MLJ 9ST 40.1786
7 5ML0 P2L 45.4545
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