Receptor
PDB id Resolution Class Description Source Keywords
5EM3 1.4 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.: TWENTY CRYSTAL STRUCTURES OF BROMODOMAIN AND PHD FI CONTAINING PROTEIN 1 (BRPF1)/LIGAND COMPLEXES REVEA CONSERVED BINDING MOTIFS AND RARE INTERACTIONS. J.MED.CHEM. V. 59 5555 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NO3 A:804;
A:803;
Invalid;
Invalid;
none;
none;
submit data
62.005 N O3 [N+](...
5Q0 A:802;
A:801;
Valid;
Valid;
none;
none;
submit data
145.158 C9 H7 N O c1cc2...
View in 3D viewer
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: 5Q0; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5Q0 1 1
2 ES1 0.463415 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 5Q0; Similar ligands found: 1148
No: Ligand Similarity coefficient
1 1LQ 1.0000
2 O72 1.0000
3 1SQ 1.0000
4 5SG 1.0000
5 1NP 1.0000
6 N5J 1.0000
7 5IQ 1.0000
8 1LM 1.0000
9 HQY 1.0000
10 24W 1.0000
11 4YS 0.9999
12 JPZ 0.9994
13 JBH 0.9993
14 HH8 0.9967
15 4XH 0.9952
16 SVN 0.9854
17 HPA 0.9844
18 ADE 0.9831
19 1XN 0.9816
20 ISN 0.9814
21 6MP 0.9813
22 XYP 0.9813
23 BTE 0.9812
24 Q88 0.9807
25 QUZ 0.9807
26 BP1 0.9806
27 7WA 0.9806
28 NPY 0.9805
29 10L 0.9797
30 12Q 0.9792
31 9DA 0.9787
32 9HX 0.9787
33 HLZ 0.9776
34 7HP 0.9775
35 GLC 0.9774
36 KJH 0.9764
37 KKN 0.9763
38 LXC 0.9763
39 SAL 0.9762
40 JBQ 0.9759
41 3WA 0.9759
42 AZA 0.9758
43 ES0 0.9753
44 0P6 0.9753
45 AZ8 0.9752
46 9EW 0.9750
47 67N 0.9745
48 BGC 0.9745
49 R8V 0.9743
50 CFP 0.9741
51 M1A 0.9740
52 HQT 0.9737
53 F05 0.9735
54 PXL 0.9735
55 32X 0.9733
56 A7W 0.9731
57 IGA 0.9729
58 ES4 0.9729
59 6M9 0.9727
60 Q24 0.9726
61 MT0 0.9726
62 5WV 0.9726
63 495 0.9723
64 CWM 0.9723
65 PE0 0.9722
66 PM6 0.9721
67 M5K 0.9719
68 GUN 0.9717
69 6M4 0.9716
70 HZQ 0.9714
71 JBE 0.9713
72 25W 0.9713
73 ES7 0.9711
74 AQO 0.9711
75 KUF 0.9711
76 MEW 0.9710
77 M6N 0.9709
78 EQT 0.9708
79 9DG 0.9707
80 8CM 0.9706
81 7W1 0.9706
82 TTL 0.9704
83 7W4 0.9703
84 0RW 0.9702
85 G6D 0.9702
86 2D0 0.9701
87 A2F 0.9696
88 HLR 0.9695
89 XAN 0.9691
90 5QX 0.9690
91 CWS 0.9688
92 ADZ 0.9687
93 1PT 0.9687
94 6AP 0.9685
95 141 0.9683
96 DX4 0.9673
97 5RG 0.9673
98 4HC 0.9670
99 AJ2 0.9668
100 290 0.9667
101 J9W 0.9667
102 DHQ 0.9665
103 I3A 0.9659
104 M1Q 0.9655
105 7B4 0.9654
106 XXR 0.9654
107 G3F 0.9654
108 DIN 0.9645
109 AZG 0.9644
110 SKA 0.9643
111 23A 0.9636
112 UNC 0.9635
113 5WX 0.9634
114 DEN 0.9630
115 M0W 0.9629
116 3HA 0.9627
117 BOA 0.9622
118 7HQ 0.9621
119 2CK 0.9620
120 M1H 0.9619
121 3M0 0.9618
122 BHO 0.9616
123 4SV 0.9615
124 ES6 0.9610
125 KT7 0.9609
126 BE2 0.9608
127 3F0 0.9607
128 3Z8 0.9607
129 AZ9 0.9606
130 URC 0.9603
131 MRW 0.9601
132 BCP 0.9599
133 3U4 0.9597
134 AHR 0.9594
135 3ID 0.9592
136 0W8 0.9590
137 DBH 0.9586
138 M0Q 0.9582
139 9MG 0.9582
140 1XM 0.9580
141 4CS 0.9578
142 HJP 0.9576
143 DBJ 0.9570
144 GTQ 0.9569
145 FE DB1 0.9568
146 JKE 0.9568
147 SWA 0.9567
148 FOT 0.9565
149 GRE 0.9565
150 6F0 0.9564
151 XYS 0.9562
152 GIO 0.9561
153 7VS 0.9560
154 HH5 0.9551
155 BZF 0.9551
156 1WD 0.9550
157 YH7 0.9550
158 BZI 0.9550
159 5M0 0.9547
160 IND 0.9542
161 JBK 0.9537
162 1P7 0.9534
163 F5B 0.9525
164 BZX 0.9524
165 DMD 0.9523
166 3PF 0.9523
167 2AQ 0.9517
168 JUG 0.9517
169 7NI 0.9516
170 ISE 0.9516
171 FDB 0.9515
172 COU 0.9512
173 2ZV 0.9508
174 GCS 0.9507
175 BTY 0.9506
176 BDP 0.9506
177 7WV 0.9505
178 6CS 0.9505
179 IJZ 0.9502
180 3HB 0.9502
181 6AI 0.9501
182 3IT 0.9499
183 OCH 0.9498
184 B60 0.9497
185 03V 0.9497
186 8TX 0.9497
187 4NC 0.9497
188 8S0 0.9497
189 XQ0 0.9494
190 270 0.9493
191 0CU 0.9492
192 0R1 0.9492
193 GAB 0.9491
194 EA1 0.9490
195 ADK 0.9490
196 AX7 0.9489
197 G3E 0.9489
198 LZ1 0.9488
199 IDM 0.9487
200 4FS 0.9486
201 0CT 0.9485
202 GVH 0.9485
203 XM0 0.9485
204 8GC 0.9483
205 M1E 0.9482
206 HQD 0.9477
207 39A 0.9477
208 0N7 0.9477
209 14O 0.9476
210 Q6T 0.9476
211 75K 0.9476
212 ES5 0.9475
213 MPI 0.9474
214 B55 0.9474
215 ORO 0.9474
216 G1O 0.9472
217 APZ 0.9472
218 1WG 0.9472
219 QBK 0.9470
220 LSA 0.9469
221 SOE 0.9469
222 5H1 0.9467
223 86J 0.9467
224 OXC 0.9466
225 H42 0.9466
226 NQ 0.9465
227 B53 0.9464
228 VNL 0.9462
229 ABV 0.9459
230 F60 0.9456
231 DHB 0.9456
232 ARB 0.9456
233 MUA 0.9455
234 54G 0.9453
235 DRL 0.9453
236 G5V 0.9452
237 MAQ 0.9451
238 5NU 0.9450
239 CTL 0.9450
240 5B1 0.9443
241 AKH 0.9443
242 4JP 0.9442
243 3MA 0.9440
244 RXA 0.9440
245 2K4 0.9439
246 VK3 0.9438
247 5JQ 0.9437
248 5MB 0.9434
249 YCP 0.9431
250 5MI 0.9430
251 YSO 0.9430
252 5CU 0.9429
253 XAZ 0.9428
254 MO8 0.9427
255 6PC 0.9426
256 9TZ 0.9426
257 BEZ 0.9422
258 FUL 0.9422
259 GAL 0.9421
260 RSF 0.9420
261 RAM 0.9419
262 PYQ 0.9418
263 FA0 0.9418
264 3NT 0.9418
265 B62 0.9417
266 2CQ 0.9417
267 6GU 0.9416
268 5HN 0.9415
269 150 0.9414
270 NK 0.9413
271 5QY 0.9413
272 JIF 0.9411
273 6M1 0.9410
274 0FO 0.9410
275 C2U 0.9409
276 IV2 0.9407
277 42C 0.9405
278 GYE 0.9405
279 12B 0.9404
280 0TR 0.9402
281 3AB 0.9401
282 HHA 0.9400
283 42A 0.9400
284 GBD 0.9398
285 URF 0.9398
286 XHP 0.9397
287 8IG 0.9396
288 BEN 0.9392
289 DOB 0.9386
290 2MI 0.9385
291 BAM 0.9385
292 B57 0.9384
293 SE2 0.9379
294 MCT 0.9377
295 2HQ 0.9376
296 NCA 0.9375
297 JB5 0.9373
298 92K 0.9371
299 LT2 0.9371
300 173 0.9371
301 EXO 0.9371
302 BEA 0.9369
303 ES9 0.9366
304 4MU 0.9366
305 NBZ 0.9365
306 D48 0.9365
307 QX4 0.9365
308 SYV 0.9364
309 P9P 0.9364
310 53C 0.9364
311 GDE 0.9363
312 ASO 0.9363
313 NOJ 0.9363
314 BHA 0.9361
315 JZ9 0.9360
316 LZM 0.9358
317 OXQ 0.9356
318 4AA 0.9355
319 MWM 0.9355
320 D1X 0.9355
321 44W 0.9353
322 OTW 0.9352
323 4M0 0.9351
324 SX1 0.9350
325 11S 0.9350
326 OVV 0.9350
327 5RN 0.9350
328 QWN 0.9350
329 NIO 0.9350
330 4XR 0.9350
331 L3Q 0.9348
332 4ZE 0.9348
333 WCE 0.9348
334 INS 0.9348
335 TEP 0.9347
336 JLZ 0.9347
337 34D 0.9346
338 XQG 0.9344
339 FYU 0.9344
340 PHT 0.9343
341 37T 0.9342
342 DQU 0.9342
343 5MK 0.9342
344 F0J 0.9341
345 GAG 0.9341
346 7ZE 0.9341
347 5JL 0.9339
348 1MC 0.9339
349 DOR 0.9338
350 7CZ 0.9337
351 TDR 0.9335
352 2ZQ 0.9334
353 5WY 0.9334
354 J5I 0.9333
355 AW5 0.9329
356 HFB 0.9328
357 INO 0.9328
358 H4N 0.9327
359 HMH 0.9327
360 TH7 0.9327
361 DHK 0.9327
362 2AK 0.9326
363 WBU 0.9326
364 NTM 0.9326
365 4HO 0.9325
366 FK1 0.9324
367 E7Z 0.9323
368 XBZ 0.9323
369 1DW 0.9323
370 SWD 0.9322
371 AJV 0.9320
372 JAE 0.9320
373 0MK 0.9320
374 9KT 0.9316
375 MYJ 0.9315
376 XX2 0.9312
377 KJY 0.9312
378 NDM 0.9311
379 4A3 0.9311
380 BRT 0.9311
381 NNO 0.9309
382 PZA 0.9307
383 UNU 0.9307
384 275 0.9303
385 NDH 0.9300
386 FHB 0.9300
387 MVN 0.9298
388 VNJ 0.9298
389 3RK 0.9295
390 CFF 0.9294
391 TOF 0.9293
392 JZ3 0.9293
393 2AC 0.9292
394 PFB 0.9291
395 2FG 0.9291
396 KYD 0.9290
397 2YU 0.9290
398 60P 0.9288
399 TH0 0.9288
400 64K 0.9288
401 A1U 0.9287
402 FLM 0.9287
403 ICP 0.9286
404 CTS 0.9286
405 DIU 0.9285
406 MWP 0.9284
407 RIP 0.9284
408 HY3 0.9284
409 5UC 0.9283
410 43M 0.9282
411 4JT 0.9280
412 5AC 0.9280
413 2MP 0.9279
414 VGL 0.9277
415 XYD 0.9276
416 GCU 0.9276
417 15L 0.9275
418 3HM 0.9275
419 KLW 0.9273
420 MBD 0.9272
421 5OB 0.9271
422 34A 0.9270
423 BE7 0.9267
424 93K 0.9266
425 CHB 0.9265
426 8NY 0.9264
427 DIE 0.9264
428 D07 0.9263
429 3MC 0.9263
430 45C 0.9263
431 4M4 0.9262
432 44V 0.9260
433 7MH 0.9259
434 PYD 0.9258
435 3BZ 0.9257
436 PYG 0.9257
437 7VJ 0.9257
438 V55 0.9256
439 TM7 0.9255
440 6ME 0.9255
441 S76 0.9255
442 2HO 0.9253
443 2A7 0.9253
444 ZVO 0.9252
445 QWW 0.9251
446 SXS 0.9250
447 HT4 0.9247
448 8WT 0.9247
449 NMJ 0.9246
450 SKM 0.9246
451 SS1 0.9244
452 FBT 0.9243
453 LGC 0.9241
454 149 0.9241
455 ET2 0.9240
456 QSB 0.9240
457 FUC 0.9238
458 NTN 0.9237
459 KIB 0.9235
460 4JJ 0.9234
461 P3K 0.9234
462 MZG 0.9234
463 PZI 0.9233
464 8H8 0.9229
465 P92 0.9227
466 NPO 0.9227
467 1P3 0.9227
468 JFD 0.9226
469 QXW 0.9225
470 2H5 0.9225
471 24B 0.9223
472 3Z7 0.9222
473 BCF 0.9221
474 VGD 0.9220
475 CLW 0.9219
476 JZ2 0.9219
477 KJU 0.9218
478 36R 0.9216
479 GTR 0.9216
480 3ZQ 0.9215
481 UEG 0.9214
482 5MH 0.9214
483 QX2 0.9213
484 2C9 0.9212
485 2EC 0.9210
486 4CL 0.9208
487 4ME 0.9208
488 OVM 0.9206
489 HMU 0.9205
490 G2F 0.9204
491 82I 0.9203
492 GLA 0.9203
493 HIS 0.9203
494 9TW 0.9202
495 4Z4 0.9201
496 AC0 0.9201
497 1P8 0.9199
498 680 0.9198
499 F4Z 0.9197
500 3MB 0.9196
501 ICO 0.9195
502 NID 0.9195
503 35C 0.9194
504 GMN 0.9193
505 5JC 0.9192
506 ZZT 0.9192
507 BR9 0.9191
508 RM1 0.9190
509 PBC 0.9187
510 3FA 0.9187
511 2AL 0.9187
512 RM4 0.9187
513 PHB 0.9186
514 DPZ 0.9185
515 4JQ 0.9185
516 6VD 0.9183
517 BBF 0.9182
518 ES2 0.9181
519 WOO 0.9177
520 329 0.9175
521 PXM 0.9174
522 FBB 0.9173
523 T6C 0.9172
524 SHA 0.9172
525 TC7 0.9172
526 INE 0.9172
527 DUB 0.9171
528 FCA 0.9170
529 FCB 0.9169
530 6MH 0.9168
531 SHG 0.9168
532 KBG 0.9167
533 R8A 0.9167
534 N8Y 0.9166
535 4JO 0.9166
536 NOY 0.9164
537 EKZ 0.9163
538 IFL 0.9163
539 K2T 0.9161
540 5VM 0.9161
541 PCI 0.9160
542 5RO 0.9160
543 PA1 0.9160
544 MQN 0.9158
545 MFB 0.9157
546 UAN 0.9157
547 MWJ 0.9155
548 27Y 0.9154
549 TTY 0.9153
550 NTZ 0.9153
551 LI6 0.9151
552 3SK 0.9150
553 QSC 0.9150
554 NSP 0.9150
555 QSH 0.9148
556 FFP 0.9147
557 ARA 0.9147
558 0JD 0.9146
559 J1Z 0.9144
560 GJS 0.9144
561 3OC 0.9144
562 RNS 0.9143
563 KOJ 0.9140
564 4ZC 0.9139
565 DQN 0.9138
566 3CE 0.9137
567 DBX 0.9137
568 NIZ 0.9137
569 FGZ 0.9136
570 DFB 0.9135
571 MAN 0.9132
572 JXN 0.9131
573 4YO 0.9129
574 SRO 0.9129
575 QPR 0.9129
576 EYK 0.9129
577 3FH 0.9129
578 CLZ 0.9128
579 ALL 0.9128
580 GOG 0.9127
581 F3B 0.9127
582 2CM 0.9126
583 BZ3 0.9126
584 GIV 0.9126
585 K5W 0.9125
586 IHB 0.9125
587 97T 0.9124
588 0FN 0.9117
589 FBV 0.9116
590 7ME 0.9116
591 A13 0.9115
592 RMN 0.9114
593 F31 0.9114
594 JA8 0.9113
595 GM7 0.9112
596 2MY 0.9110
597 J9Q 0.9110
598 7B3 0.9108
599 3DM 0.9108
600 PAB 0.9107
601 EVA 0.9107
602 LKA 0.9107
603 0TU 0.9106
604 3DO 0.9104
605 OAA 0.9104
606 AZF 0.9102
607 X05 0.9100
608 IBF 0.9100
609 DFU 0.9100
610 51R 0.9097
611 FPY 0.9096
612 0R0 0.9095
613 5GU 0.9091
614 I1N 0.9091
615 ASC 0.9091
616 TLD 0.9090
617 HBD 0.9090
618 39O 0.9088
619 QAT 0.9087
620 8OZ 0.9081
621 IFM 0.9080
622 FAN 0.9080
623 5CL 0.9080
624 X09 0.9078
625 G4D 0.9078
626 XIY 0.9078
627 QOS 0.9076
628 1Y6 0.9075
629 PRF 0.9073
630 ISZ 0.9072
631 RPQ 0.9072
632 6RQ 0.9070
633 IFP 0.9070
634 2FQ 0.9069
635 1GN 0.9068
636 CFI 0.9068
637 GZ8 0.9067
638 J9T 0.9067
639 PHH 0.9067
640 8WO 0.9067
641 F81 0.9066
642 IT2 0.9066
643 40O 0.9066
644 EUG 0.9065
645 IUR 0.9065
646 SJ5 0.9065
647 GOO 0.9065
648 HX3 0.9063
649 GCB 0.9063
650 209 0.9061
651 286 0.9061
652 BR8 0.9061
653 Z82 0.9061
654 9FL 0.9060
655 FB1 0.9058
656 CAQ 0.9054
657 OXE 0.9054
658 Y8I 0.9053
659 M2K 0.9050
660 3XX 0.9050
661 826 0.9049
662 PBZ 0.9049
663 Q7A 0.9048
664 H33 0.9047
665 R9Y 0.9047
666 YQA 0.9046
667 QAS 0.9042
668 BMA 0.9042
669 IPB 0.9040
670 4MA 0.9040
671 SOR 0.9040
672 PQ0 0.9039
673 YTB 0.9038
674 LDP 0.9037
675 5XC 0.9035
676 MS9 0.9031
677 LCN 0.9031
678 SW7 0.9026
679 MBG 0.9026
680 X6X 0.9024
681 MR1 0.9024
682 A29 0.9023
683 AFR 0.9018
684 R8S 0.9015
685 23J 0.9015
686 Z5P 0.9014
687 GAF 0.9014
688 2DR 0.9013
689 TBP 0.9012
690 AX2 0.9011
691 FPK 0.9008
692 HNQ 0.9007
693 7WR 0.9006
694 RIB 0.9006
695 JND 0.9000
696 OA3 0.9000
697 174 0.8999
698 SEJ 0.8998
699 GXY 0.8997
700 Q71 0.8996
701 KFH 0.8994
702 XCZ 0.8994
703 13X 0.8994
704 F12 0.8993
705 15E 0.8993
706 YIO 0.8991
707 FUF 0.8990
708 TBS 0.8990
709 X0V 0.8990
710 HBA 0.8990
711 FBW 0.8989
712 FP1 0.8989
713 1M2 0.8988
714 GZL 0.8985
715 6UA 0.8983
716 282 0.8982
717 3MH 0.8980
718 260 0.8980
719 IDH 0.8980
720 12M 0.8979
721 MVL 0.8979
722 JXW 0.8978
723 5AN 0.8977
724 KIA 0.8975
725 PRZ 0.8975
726 CN0 0.8974
727 L89 0.8974
728 BK9 0.8974
729 RHU 0.8971
730 4HM 0.8969
731 DGJ 0.8969
732 RSO 0.8969
733 2AF 0.8968
734 20J 0.8968
735 K17 0.8967
736 JZ0 0.8964
737 URQ 0.8964
738 M58 0.8963
739 EJZ 0.8962
740 WDL 0.8962
741 SYN 0.8961
742 FPI 0.8961
743 261 0.8960
744 ADA 0.8960
745 4P5 0.8960
746 IPZ 0.8960
747 AJY 0.8959
748 92Z 0.8959
749 GXL 0.8958
750 8ZE 0.8958
751 OXZ 0.8957
752 PX7 0.8957
753 2CH 0.8956
754 MLT 0.8956
755 PAF 0.8953
756 B5D 0.8952
757 GVG 0.8952
758 2A9 0.8951
759 94N 0.8950
760 284 0.8950
761 AMC 0.8949
762 BEW 0.8946
763 1U6 0.8945
764 3AY 0.8944
765 8LG 0.8944
766 JTH 0.8944
767 NK2 0.8943
768 TGX 0.8942
769 KBB 0.8942
770 2FY 0.8941
771 PDC 0.8941
772 ABE 0.8940
773 FP2 0.8940
774 ZZ3 0.8939
775 HBX 0.8937
776 ABN 0.8937
777 ASP 0.8937
778 MNM 0.8936
779 HXX 0.8934
780 2MN 0.8934
781 717 0.8933
782 VOH 0.8933
783 OW4 0.8932
784 AC6 0.8930
785 8XQ 0.8930
786 5NE 0.8928
787 4TU 0.8926
788 5ZE 0.8926
789 SRT 0.8925
790 RCO 0.8925
791 L99 0.8925
792 1AN 0.8923
793 NEQ 0.8923
794 9CA 0.8922
795 PRO 0.8919
796 GOX 0.8918
797 F9P 0.8918
798 TIU 0.8916
799 226 0.8913
800 4XV 0.8912
801 I6G 0.8912
802 8W9 0.8912
803 2PC 0.8912
804 76X 0.8911
805 3MG 0.8910
806 PBA 0.8909
807 GLF 0.8908
808 UFO 0.8906
809 URA 0.8905
810 XXP 0.8905
811 FBU 0.8904
812 UFV 0.8904
813 OMD 0.8904
814 2ZX 0.8901
815 PY7 0.8901
816 93Q 0.8898
817 3R6 0.8898
818 7MU 0.8898
819 IF7 0.8898
820 SMV 0.8898
821 FLV 0.8896
822 LG3 0.8896
823 BSP 0.8895
824 FOA 0.8895
825 4FH 0.8894
826 PYC 0.8892
827 4SX 0.8891
828 HTS 0.8890
829 ERH 0.8889
830 1KP 0.8889
831 N2I 0.8889
832 PEY 0.8888
833 2BG 0.8886
834 QIC 0.8886
835 938 0.8885
836 FB2 0.8885
837 FBM 0.8884
838 JZ1 0.8883
839 C21 0.8883
840 LYL 0.8881
841 0HO 0.8881
842 CYT 0.8881
843 4PW 0.8881
844 X8D 0.8880
845 ZWZ 0.8880
846 TP5 0.8880
847 6KX 0.8879
848 FDK 0.8879
849 BSX 0.8878
850 94B 0.8876
851 PHU 0.8876
852 PH2 0.8874
853 3CH 0.8874
854 TSS 0.8873
855 SVD 0.8873
856 CRS 0.8872
857 JZ5 0.8872
858 P72 0.8871
859 KIV 0.8871
860 PYF 0.8870
861 3C1 0.8870
862 3NY 0.8869
863 MAK 0.8868
864 AIN 0.8868
865 AEZ 0.8867
866 JFJ 0.8867
867 2LP 0.8865
868 26D 0.8865
869 MSN 0.8864
870 MT5 0.8863
871 TWO 0.8862
872 0LH 0.8861
873 9TY 0.8861
874 ZZ8 0.8860
875 06B 0.8860
876 069 0.8860
877 LG5 0.8860
878 SYA 0.8859
879 TAR 0.8858
880 PAC 0.8858
881 HKD 0.8858
882 GLY PRO 0.8857
883 XBT 0.8857
884 LMR 0.8856
885 TLA 0.8855
886 1IT 0.8855
887 APG 0.8855
888 OVP 0.8851
889 DMJ 0.8850
890 DEE 0.8850
891 3C2 0.8850
892 DNF 0.8850
893 GIM 0.8849
894 45L 0.8848
895 HTP 0.8847
896 FBG 0.8845
897 9RW 0.8845
898 ENL 0.8845
899 N8P 0.8845
900 HHR 0.8844
901 RB5 0.8844
902 265 0.8843
903 HQJ 0.8841
904 EV0 0.8840
905 WOT 0.8840
906 K8X 0.8840
907 ZYR 0.8839
908 0HN 0.8838
909 JBN 0.8836
910 DYA 0.8836
911 HIO 0.8835
912 TM4 0.8835
913 TZC 0.8835
914 E3D 0.8834
915 AAS 0.8834
916 52C 0.8834
917 FCR 0.8833
918 MZB 0.8832
919 948 0.8831
920 JG8 0.8831
921 1XX 0.8831
922 95Z 0.8831
923 273 0.8830
924 4XS 0.8828
925 K6X 0.8828
926 47J 0.8828
927 92P 0.8827
928 0F9 0.8827
929 6LW 0.8826
930 FH2 0.8825
931 FA3 0.8825
932 F9Y 0.8824
933 MHK 0.8824
934 VXX 0.8824
935 DX3 0.8824
936 MJ2 0.8823
937 6NT 0.8823
938 YAN 0.8822
939 KDV 0.8821
940 ZB1 0.8821
941 2ZM 0.8820
942 K32 0.8818
943 XUL 0.8818
944 9R5 0.8818
945 PHE 0.8817
946 FDR 0.8814
947 KPL 0.8814
948 HA7 0.8810
949 BVF 0.8809
950 091 0.8809
951 AUD 0.8805
952 GCO 0.8804
953 2KA 0.8803
954 C2Y 0.8803
955 18N 0.8802
956 8GF 0.8802
957 ECE 0.8802
958 K22 0.8801
959 4VP 0.8801
960 TPA 0.8800
961 FRU 0.8798
962 2MH 0.8796
963 2LY 0.8795
964 PMB 0.8794
965 K34 0.8793
966 PLQ 0.8793
967 SAN 0.8792
968 CGB 0.8790
969 AS3 0.8786
970 BDF 0.8785
971 6BL 0.8785
972 IP0 0.8785
973 6HQ 0.8785
974 JU2 0.8782
975 ODO 0.8782
976 XYL 0.8780
977 ROI 0.8780
978 2HU 0.8780
979 G12 0.8778
980 GLT 0.8777
981 JAB 0.8776
982 6X8 0.8775
983 NVU 0.8775
984 2PG 0.8772
985 Q77 0.8772
986 23W 0.8771
987 28N 0.8771
988 GIF 0.8770
989 FA1 0.8770
990 CWJ 0.8767
991 TMZ 0.8766
992 BCU 0.8765
993 L7T 0.8763
994 5NI 0.8763
995 URP 0.8763
996 1X7 0.8762
997 PBE 0.8760
998 SF9 0.8760
999 2XX 0.8757
1000 3SL 0.8757
1001 HQE 0.8755
1002 BNS 0.8752
1003 TFU 0.8752
1004 4JU 0.8752
1005 KGK 0.8751
1006 BPU 0.8751
1007 TSU 0.8751
1008 FPN 0.8750
1009 LG4 0.8748
1010 GCV 0.8748
1011 8GK 0.8748
1012 JKZ 0.8745
1013 D3M 0.8744
1014 7N0 0.8742
1015 285 0.8742
1016 OK7 0.8741
1017 14J 0.8741
1018 1MR 0.8740
1019 H3M 0.8739
1020 SMN 0.8738
1021 MFU 0.8737
1022 BNT 0.8736
1023 ABI 0.8735
1024 4XX 0.8735
1025 DA1 0.8734
1026 N7P 0.8733
1027 H8N 0.8731
1028 AMG 0.8729
1029 ZBT 0.8729
1030 MRZ 0.8728
1031 GV9 0.8727
1032 AGK 0.8727
1033 6OT 0.8726
1034 7D2 0.8725
1035 3A9 0.8724
1036 ESI 0.8724
1037 TT4 0.8723
1038 PCR 0.8722
1039 FLC 0.8722
1040 FQI 0.8721
1041 C2A 0.8721
1042 GTZ 0.8720
1043 1F1 0.8720
1044 NCT 0.8719
1045 94W 0.8716
1046 4P0 0.8716
1047 ZZZ 0.8716
1048 MXN 0.8713
1049 GCW 0.8712
1050 B3R 0.8712
1051 TCZ 0.8711
1052 PXY 0.8709
1053 DUC 0.8709
1054 ZXD 0.8708
1055 4WL 0.8707
1056 HDH 0.8703
1057 H6B 0.8702
1058 25R 0.8701
1059 NGO 0.8700
1060 M2H 0.8699
1061 DNC 0.8699
1062 YHO 0.8698
1063 6NI 0.8696
1064 CIG 0.8694
1065 L5V 0.8694
1066 4H2 0.8693
1067 LDR 0.8692
1068 O2A 0.8688
1069 1DU 0.8683
1070 CXF 0.8683
1071 0XT 0.8681
1072 ONR 0.8681
1073 LRH 0.8680
1074 DHS 0.8680
1075 M3T 0.8677
1076 HGQ 0.8676
1077 HEW 0.8672
1078 4ZA 0.8668
1079 FBA 0.8667
1080 LNR 0.8667
1081 1LN 0.8666
1082 JXZ 0.8666
1083 1DV 0.8665
1084 F1A 0.8664
1085 3AL 0.8660
1086 FSW 0.8660
1087 GT0 0.8658
1088 ICC 0.8658
1089 BZ2 0.8658
1090 4RU 0.8654
1091 GTL 0.8649
1092 PD2 0.8646
1093 4CH 0.8645
1094 ASN 0.8642
1095 9PY 0.8637
1096 9AP 0.8636
1097 PCA 0.8636
1098 5NS 0.8635
1099 TMT 0.8634
1100 ANN 0.8634
1101 PKU 0.8633
1102 0W1 0.8632
1103 4JM 0.8626
1104 8HC 0.8624
1105 0FK 0.8621
1106 NBE 0.8621
1107 EOL 0.8617
1108 PBR 0.8616
1109 UQ 0.8614
1110 H76 0.8614
1111 280 0.8614
1112 4HS 0.8611
1113 H62 0.8610
1114 PEP 0.8606
1115 XXG 0.8603
1116 RUU 0.8599
1117 FBS 0.8599
1118 4J8 0.8598
1119 EDR 0.8595
1120 1DQ 0.8593
1121 HA5 0.8592
1122 MMA 0.8590
1123 R2B 0.8589
1124 QY9 0.8586
1125 PFL 0.8585
1126 H7Y 0.8584
1127 TZE 0.8583
1128 A09 0.8582
1129 JYB 0.8581
1130 4JN 0.8580
1131 2TQ 0.8579
1132 1XA 0.8575
1133 BML 0.8569
1134 JZ4 0.8566
1135 QMP 0.8560
1136 9FE 0.8559
1137 SS2 0.8559
1138 DQA 0.8556
1139 II6 0.8551
1140 HHQ 0.8550
1141 5WU 0.8549
1142 PEL 0.8546
1143 5DI 0.8538
1144 X0W 0.8532
1145 HLD 0.8530
1146 FHN 0.8520
1147 4TE 0.8519
1148 3TJ 0.8516
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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