Receptor
PDB id Resolution Class Description Source Keywords
4U7H 1.48 Å EC: 1.10.5.1 OXIDIZED QUINONE REDUCTASE 2 IN COMPLEX WITH CK2 INHIBITOR D HOMO SAPIENS REDUCED QUINONE REDUCTASE 2 DMAT OXIDOREDUCTASE-INHIBITOR
Ref.: QUINONE REDUCTASE 2 IS AN ADVENTITIOUS TARGET OF PR KINASE CK2 INHIBITORS TBBZ (TBI) AND DMAT. BIOCHEMISTRY V. 54 47 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:302;
B:303;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
K25 B:304;
B:301;
Valid;
Valid;
Atoms found MORE than expected: % Diff = 2;
Atoms found MORE than expected: % Diff = 2;
Kd = 36.4 nM
476.788 C9 H7 Br4 N3 CN(C)...
ZN B:302;
A:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UXH 1.53 Å EC: 1.10.5.1 DESIGN, SYNTHESIS AND BIOLOGICAL EVALUATION OF POTETENT QUIN PYRROLOQUINOLINE AMMOSAMIDE ANALOGUES AS INHIBITORS OF QUINR EDUCTASE 2 HOMO SAPIENS QUINONE REDUCTASE CYTOSOL OXIDOREDUCTASE-INHIBITOR COMPLEX
Ref.: DESIGN, SYNTHESIS, AND BIOLOGICAL EVALUATION OF POT QUINOLINE AND PYRROLOQUINOLINE AMMOSAMIDE ANALOGUES INHIBITORS OF QUINONE REDUCTASE 2. J.MED.CHEM. V. 55 367 2012
Members (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5LBY - 6T2 C26 H29 N5 O2 CC1(COC1)C....
2 2QX9 Kd = 0.7 uM ML2 C13 H15 I N2 O2 CC(=O)NCCc....
3 3OWX ic50 = 17600 nM XRA C19 H21 N5 O4 COc1cc2c(c....
4 3TE7 ic50 = 59 nM TE7 C19 H20 N4 O2 CN(C)CCNc1....
5 4U7F - K25 C9 H7 Br4 N3 CN(C)c1[nH....
6 3TEM ic50 = 14 nM 6A1 C19 H25 N4 O3 C[N+](C)(C....
7 1SG0 Kd = 35 nM STL C14 H12 O3 c1cc(ccc1C....
8 1XI2 ic50 < 1 uM CB1 C9 H8 N4 O5 c1c(c(cc(c....
9 3O73 Kd = 19 uM O73 C21 H24 N4 O5 Cc1c(c2c(n....
10 3UXH ic50 = 0.061 nM UXH C12 H10 Cl N5 O2 CN1c2c3c(c....
11 4ZVM Kd = 274 nM DM2 C27 H29 N O11 C[C@H]1[C@....
12 3GAM ic50 = 4.1 uM MXX C13 H15 N O3 CC1=CC(=O)....
13 1QR2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 5LBW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 3G5M ic50 = 54.1 uM XM5 C12 H11 N O4 CN1c2c(ccc....
16 3UXE ic50 = 0.0041 uM 465 C13 H10 Cl N5 O2 CN1c2c3c(c....
17 4ZVN Kd = 0.36 nM AO C17 H20 N3 CN(C)c1ccc....
18 4GQI ic50 = 20.7 uM M49 C14 H17 N3 O3 CC(=O)NCC[....
19 2QWX Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
20 2QX4 Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
21 4U7H Kd = 36.4 nM K25 C9 H7 Br4 N3 CN(C)c1[nH....
22 2QR2 - VK3 C11 H8 O2 CC1=CC(=O)....
23 2BZS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 3OX1 ic50 = 7100 nM 695 C15 H18 N2 O3 S CC(=O)NCCc....
25 2QX8 Kd = 0.7 uM ML2 C13 H15 I N2 O2 CC(=O)NCCc....
26 3FW1 ic50 = 80 nM STI C29 H31 N7 O Cc1ccc(cc1....
27 4ZVK - ET C21 H20 N3 CC[n+]1c2c....
28 3OWH ic50 = 1900 nM 52X C14 H16 I N3 O3 CC(=O)NCCc....
29 4ZVL Kd = 29.4 nM AO C17 H20 N3 CN(C)c1ccc....
30 5LBZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
31 3OX3 ic50 = 11 nM 4X4 C21 H18 N4 O3 COc1ccc2c(....
32 2QX6 Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
33 4U7G Kd = 18.1 nM K17 C7 H2 Br4 N2 c1[nH]c2c(....
34 1ZX1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
35 4GR9 ic50 = 7 uM 372 C13 H13 N3 O2 CC(=O)Nc1c....
36 3OX2 ic50 = 704 nM 79X C17 H13 N O4 COc1cc-2c(....
37 3OVM ic50 = 37100 nM MZC C14 H17 N3 O3 CC(=O)NCCc....
70% Homology Family (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5LBY - 6T2 C26 H29 N5 O2 CC1(COC1)C....
2 2QX9 Kd = 0.7 uM ML2 C13 H15 I N2 O2 CC(=O)NCCc....
3 3OWX ic50 = 17600 nM XRA C19 H21 N5 O4 COc1cc2c(c....
4 3TE7 ic50 = 59 nM TE7 C19 H20 N4 O2 CN(C)CCNc1....
5 4U7F - K25 C9 H7 Br4 N3 CN(C)c1[nH....
6 3TEM ic50 = 14 nM 6A1 C19 H25 N4 O3 C[N+](C)(C....
7 1SG0 Kd = 35 nM STL C14 H12 O3 c1cc(ccc1C....
8 1XI2 ic50 < 1 uM CB1 C9 H8 N4 O5 c1c(c(cc(c....
9 3O73 Kd = 19 uM O73 C21 H24 N4 O5 Cc1c(c2c(n....
10 3UXH ic50 = 0.061 nM UXH C12 H10 Cl N5 O2 CN1c2c3c(c....
11 4ZVM Kd = 274 nM DM2 C27 H29 N O11 C[C@H]1[C@....
12 3GAM ic50 = 4.1 uM MXX C13 H15 N O3 CC1=CC(=O)....
13 1QR2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 5LBW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 3G5M ic50 = 54.1 uM XM5 C12 H11 N O4 CN1c2c(ccc....
16 3UXE ic50 = 0.0041 uM 465 C13 H10 Cl N5 O2 CN1c2c3c(c....
17 4ZVN Kd = 0.36 nM AO C17 H20 N3 CN(C)c1ccc....
18 4GQI ic50 = 20.7 uM M49 C14 H17 N3 O3 CC(=O)NCC[....
19 2QWX Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
20 2QX4 Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
21 4U7H Kd = 36.4 nM K25 C9 H7 Br4 N3 CN(C)c1[nH....
22 2QR2 - VK3 C11 H8 O2 CC1=CC(=O)....
23 2BZS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 3OX1 ic50 = 7100 nM 695 C15 H18 N2 O3 S CC(=O)NCCc....
25 2QX8 Kd = 0.7 uM ML2 C13 H15 I N2 O2 CC(=O)NCCc....
26 3FW1 ic50 = 80 nM STI C29 H31 N7 O Cc1ccc(cc1....
27 4ZVK - ET C21 H20 N3 CC[n+]1c2c....
28 3OWH ic50 = 1900 nM 52X C14 H16 I N3 O3 CC(=O)NCCc....
29 4ZVL Kd = 29.4 nM AO C17 H20 N3 CN(C)c1ccc....
30 5LBZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
31 3OX3 ic50 = 11 nM 4X4 C21 H18 N4 O3 COc1ccc2c(....
32 2QX6 Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
33 4U7G Kd = 18.1 nM K17 C7 H2 Br4 N2 c1[nH]c2c(....
34 1ZX1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
35 4GR9 ic50 = 7 uM 372 C13 H13 N3 O2 CC(=O)Nc1c....
36 3OX2 ic50 = 704 nM 79X C17 H13 N O4 COc1cc-2c(....
37 3OVM ic50 = 37100 nM MZC C14 H17 N3 O3 CC(=O)NCCc....
50% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5LBY - 6T2 C26 H29 N5 O2 CC1(COC1)C....
2 2QX9 Kd = 0.7 uM ML2 C13 H15 I N2 O2 CC(=O)NCCc....
3 3OWX ic50 = 17600 nM XRA C19 H21 N5 O4 COc1cc2c(c....
4 3TE7 ic50 = 59 nM TE7 C19 H20 N4 O2 CN(C)CCNc1....
5 4U7F - K25 C9 H7 Br4 N3 CN(C)c1[nH....
6 3TEM ic50 = 14 nM 6A1 C19 H25 N4 O3 C[N+](C)(C....
7 1SG0 Kd = 35 nM STL C14 H12 O3 c1cc(ccc1C....
8 1XI2 ic50 < 1 uM CB1 C9 H8 N4 O5 c1c(c(cc(c....
9 3O73 Kd = 19 uM O73 C21 H24 N4 O5 Cc1c(c2c(n....
10 3UXH ic50 = 0.061 nM UXH C12 H10 Cl N5 O2 CN1c2c3c(c....
11 4ZVM Kd = 274 nM DM2 C27 H29 N O11 C[C@H]1[C@....
12 3GAM ic50 = 4.1 uM MXX C13 H15 N O3 CC1=CC(=O)....
13 1QR2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 5LBW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 3G5M ic50 = 54.1 uM XM5 C12 H11 N O4 CN1c2c(ccc....
16 3UXE ic50 = 0.0041 uM 465 C13 H10 Cl N5 O2 CN1c2c3c(c....
17 4ZVN Kd = 0.36 nM AO C17 H20 N3 CN(C)c1ccc....
18 4GQI ic50 = 20.7 uM M49 C14 H17 N3 O3 CC(=O)NCC[....
19 2QWX Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
20 2QX4 Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
21 4U7H Kd = 36.4 nM K25 C9 H7 Br4 N3 CN(C)c1[nH....
22 2QR2 - VK3 C11 H8 O2 CC1=CC(=O)....
23 2BZS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 3OX1 ic50 = 7100 nM 695 C15 H18 N2 O3 S CC(=O)NCCc....
25 2QX8 Kd = 0.7 uM ML2 C13 H15 I N2 O2 CC(=O)NCCc....
26 3FW1 ic50 = 80 nM STI C29 H31 N7 O Cc1ccc(cc1....
27 4ZVK - ET C21 H20 N3 CC[n+]1c2c....
28 3OWH ic50 = 1900 nM 52X C14 H16 I N3 O3 CC(=O)NCCc....
29 4ZVL Kd = 29.4 nM AO C17 H20 N3 CN(C)c1ccc....
30 5LBZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
31 3OX3 ic50 = 11 nM 4X4 C21 H18 N4 O3 COc1ccc2c(....
32 2QX6 Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
33 4U7G Kd = 18.1 nM K17 C7 H2 Br4 N2 c1[nH]c2c(....
34 1ZX1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
35 4GR9 ic50 = 7 uM 372 C13 H13 N3 O2 CC(=O)Nc1c....
36 3OX2 ic50 = 704 nM 79X C17 H13 N O4 COc1cc-2c(....
37 3OVM ic50 = 37100 nM MZC C14 H17 N3 O3 CC(=O)NCCc....
38 1QBG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
39 1KBO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
40 3JSX ic50 = 7.7 nM CC2 C22 H18 O3 Cc1cc2c(cc....
41 1KBQ Ki = 0.45 uM 936 C18 H16 N2 O6 Cc1c(c2c(n....
42 1H66 - RH1 C12 H14 N2 O3 CC1=C(C(=O....
43 4CET Kd = 428 nM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
44 6LLC - EHL C14 H10 N4 O4 S Cc1c(c(no1....
45 1H69 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
46 1D4A - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
47 1GG5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
48 5EA2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
49 5A4K Kd = 155 nM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50 1DXO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
51 1QRD - DQN C10 H12 O2 CC1=C(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FAD; Similar ligands found: 147
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 UBG 0.845588 0.987654
6 6FA 0.794118 0.987654
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 JNT 0.598425 0.876543
12 FAJ 0.57485 0.97561
13 62F 0.572327 0.939024
14 F2N 0.566265 0.886364
15 FMN 0.543307 0.876543
16 FA9 0.526316 0.939759
17 6YU 0.516304 0.860215
18 CNV FAD 0.511905 0.908046
19 P6G FDA 0.511628 0.908046
20 FAD NBT 0.508876 0.83871
21 A2D 0.504065 0.875
22 DAL FAD PER 0.491429 0.836957
23 P5F 0.491329 0.941176
24 FAD CNX 0.488506 0.8125
25 APR 0.488372 0.851852
26 AR6 0.488372 0.851852
27 FAD T2C 0.485876 0.819149
28 AGS 0.484615 0.811765
29 M33 0.484375 0.864198
30 BA3 0.484127 0.875
31 ATP 0.48062 0.851852
32 HEJ 0.48062 0.851852
33 B4P 0.480315 0.875
34 ADP 0.480315 0.851852
35 AP5 0.480315 0.875
36 ANP 0.477273 0.831325
37 5FA 0.476923 0.851852
38 AQP 0.476923 0.851852
39 48N 0.469388 0.902439
40 OAD 0.467626 0.876543
41 9X8 0.467626 0.833333
42 FAD NBA 0.467033 0.793814
43 GTA 0.465753 0.892857
44 AT4 0.465116 0.821429
45 AN2 0.465116 0.841463
46 HQG 0.463235 0.841463
47 AD9 0.462121 0.831325
48 3OD 0.460993 0.876543
49 RBF 0.460938 0.790123
50 FB0 0.460606 0.835165
51 139 0.460526 0.858824
52 AP0 0.46 0.835294
53 A22 0.459854 0.864198
54 ACP 0.458015 0.853659
55 8QN 0.456522 0.864198
56 PRX 0.454545 0.831325
57 A3R 0.453237 0.86747
58 A1R 0.453237 0.86747
59 G3A 0.452055 0.902439
60 T5A 0.45098 0.872093
61 G5P 0.44898 0.902439
62 ATF 0.448529 0.821429
63 50T 0.44697 0.819277
64 OZV 0.446043 0.851852
65 6YZ 0.445255 0.853659
66 ACQ 0.444444 0.853659
67 ADQ 0.442857 0.853659
68 PAJ 0.442857 0.847059
69 KMQ 0.441379 0.843373
70 8LE 0.441176 0.855422
71 5AL 0.441176 0.864198
72 ADX 0.439394 0.775281
73 CA0 0.439394 0.853659
74 8LQ 0.438849 0.865854
75 QA7 0.438849 0.855422
76 A4P 0.437909 0.831461
77 25L 0.4375 0.864198
78 P33 FDA 0.436464 0.817204
79 KG4 0.43609 0.853659
80 5SV 0.435714 0.793103
81 8LH 0.434783 0.843373
82 OMR 0.434211 0.818182
83 TXE 0.434211 0.890244
84 45A 0.434109 0.829268
85 ABM 0.434109 0.829268
86 AMP 0.433071 0.82716
87 A 0.433071 0.82716
88 4AD 0.432624 0.855422
89 ADJ 0.432258 0.818182
90 B5M 0.431507 0.878049
91 B5Y 0.431507 0.878049
92 BIS 0.430556 0.802326
93 DJC FAD 0.43 0.827957
94 SRA 0.429688 0.788235
95 AFH 0.42953 0.825581
96 DND 0.427632 0.865854
97 TXD 0.427632 0.890244
98 UP5 0.427632 0.878049
99 6V0 0.427632 0.857143
100 DQV 0.426667 0.8875
101 SRP 0.42446 0.843373
102 PR8 0.423611 0.837209
103 TAT 0.423358 0.821429
104 T99 0.423358 0.821429
105 AMO 0.422535 0.865854
106 PTJ 0.42069 0.835294
107 TXA 0.42069 0.865854
108 FYA 0.42069 0.864198
109 CNA 0.420382 0.865854
110 AHX 0.41958 0.835294
111 00A 0.41958 0.823529
112 AMP MG 0.418605 0.814815
113 MAP 0.41844 0.811765
114 NAI 0.418301 0.845238
115 AU1 0.41791 0.831325
116 A12 0.416667 0.843373
117 AP2 0.416667 0.843373
118 9ZD 0.415493 0.845238
119 25A 0.415493 0.851852
120 9ZA 0.415493 0.845238
121 COD 0.415094 0.842697
122 4TC 0.412903 0.879518
123 APC 0.411765 0.843373
124 ME8 0.410959 0.806818
125 1ZZ 0.410959 0.806818
126 NB8 0.410959 0.835294
127 ADP BEF 0.410448 0.82716
128 ADP MG 0.410448 0.82716
129 DJ0 FAD 0.41 0.865169
130 4UW 0.409091 0.825581
131 NAX 0.409091 0.837209
132 F2R 0.408805 0.850575
133 ADV 0.408759 0.843373
134 RBY 0.408759 0.843373
135 VO4 ADP 0.407143 0.809524
136 P1H 0.405882 0.818182
137 BEF ADP 0.405797 0.807229
138 OOB 0.405594 0.864198
139 LAD 0.40411 0.825581
140 UPA 0.403846 0.86747
141 4UU 0.401316 0.833333
142 GA7 0.401316 0.865854
143 A3D 0.401235 0.876543
144 80F 0.401235 0.808989
145 DLL 0.4 0.864198
146 XAH 0.4 0.806818
147 V2G 0.4 0.857143
Ligand no: 2; Ligand: K25; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 K25 1 1
2 K37 0.444444 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: FAD; Similar ligands found: 1
No: Ligand Similarity coefficient
1 FDA T2C 0.8610
Ligand no: 2; Ligand: K25; Similar ligands found: 369
No: Ligand Similarity coefficient
1 GI3 0.9617
2 K44 0.9610
3 GI1 0.9532
4 K22 0.9412
5 K32 0.9350
6 V1T 0.9264
7 1QV 0.9263
8 8NX 0.9225
9 209 0.9188
10 E7S 0.9183
11 H33 0.9178
12 4KL 0.9141
13 G6P 0.9132
14 KTW 0.9111
15 ESI 0.9101
16 NPL 0.9092
17 AMR 0.9088
18 BG6 0.9087
19 3ZB 0.9086
20 4BY 0.9086
21 68A 0.9083
22 UNJ 0.9083
23 HBO 0.9072
24 2K8 0.9062
25 4R1 0.9051
26 1X8 0.9050
27 4BL 0.9045
28 8W9 0.9044
29 A1Y 0.9030
30 5TY 0.9022
31 HHS 0.9022
32 428 0.9020
33 2FQ 0.9015
34 GNM 0.9013
35 DNC 0.9013
36 2JK 0.9011
37 PLP 0.9011
38 344 0.9011
39 K3Q 0.8995
40 DK1 0.8995
41 B56 0.8992
42 FF2 0.8992
43 SG2 0.8990
44 K97 0.8985
45 H5B 0.8983
46 KYA 0.8977
47 7I2 0.8967
48 BPY 0.8965
49 8HC 0.8960
50 0FK 0.8949
51 K68 0.8945
52 TWO 0.8944
53 UXH 0.8943
54 3Y7 0.8940
55 2GQ 0.8937
56 UFO 0.8937
57 NAG 0.8936
58 F5C 0.8934
59 GNV 0.8934
60 DNA 0.8929
61 E1K 0.8929
62 PMP 0.8925
63 JTA 0.8925
64 JBZ 0.8923
65 0W1 0.8920
66 3VX 0.8917
67 SYR 0.8913
68 JP2 0.8912
69 BZ2 0.8912
70 6QF 0.8911
71 ANC 0.8907
72 G1P 0.8907
73 CHQ 0.8905
74 PH2 0.8905
75 KLK 0.8895
76 JR2 0.8895
77 N91 0.8892
78 NDG 0.8891
79 EXD 0.8889
80 M6P 0.8887
81 7MX 0.8885
82 N8Y 0.8877
83 S60 0.8875
84 FDR 0.8872
85 6KT 0.8869
86 ZHA 0.8859
87 BGU 0.8851
88 ZYR 0.8851
89 FQX 0.8849
90 3J8 0.8848
91 CKA 0.8842
92 5WT 0.8840
93 SLS 0.8839
94 ICB 0.8839
95 ZYQ 0.8838
96 39O 0.8838
97 HHR 0.8835
98 GLP 0.8832
99 5V7 0.8832
100 ESP 0.8831
101 P4L 0.8830
102 3R4 0.8828
103 6FB 0.8828
104 LI6 0.8827
105 LIP 0.8824
106 E1T 0.8822
107 CNI 0.8821
108 N2M 0.8820
109 THA 0.8820
110 XAZ 0.8820
111 GI4 0.8818
112 8WT 0.8816
113 0FR 0.8815
114 Y3L 0.8815
115 NRA 0.8812
116 3QV 0.8811
117 XCG 0.8811
118 15N 0.8810
119 AA 0.8810
120 6RQ 0.8810
121 0FO 0.8807
122 54X 0.8806
123 CFA 0.8802
124 G12 0.8799
125 9KT 0.8798
126 0JD 0.8796
127 J6W 0.8793
128 N7I 0.8792
129 GHM 0.8792
130 ESX 0.8791
131 ANF 0.8790
132 MFR 0.8789
133 VXX 0.8787
134 DNF 0.8787
135 STT 0.8786
136 9FE 0.8781
137 YE7 0.8781
138 JG8 0.8780
139 8NB 0.8780
140 DQU 0.8779
141 4RU 0.8777
142 GF4 0.8777
143 K17 0.8777
144 44V 0.8775
145 QIV 0.8774
146 AN3 0.8772
147 QX4 0.8771
148 ZME 0.8771
149 ALE 0.8770
150 8WZ 0.8769
151 URC 0.8769
152 AY4 0.8767
153 96U 0.8763
154 MXD 0.8761
155 IV2 0.8760
156 ZSP 0.8758
157 H4B 0.8757
158 9R5 0.8757
159 F2W 0.8756
160 3GX 0.8756
161 M78 0.8755
162 363 0.8753
163 TMG 0.8752
164 HA5 0.8751
165 F40 0.8750
166 DXK 0.8749
167 9ZE 0.8749
168 GJP 0.8749
169 OTW 0.8748
170 5OO 0.8748
171 7WR 0.8747
172 1A7 0.8743
173 5JL 0.8742
174 PRL 0.8742
175 CH9 0.8741
176 537 0.8740
177 FER 0.8740
178 QSH 0.8736
179 3VS 0.8735
180 X0U 0.8733
181 5LA 0.8733
182 1HN 0.8732
183 DRG 0.8731
184 4MU 0.8730
185 I6G 0.8730
186 8MO 0.8730
187 1F1 0.8729
188 JF1 0.8726
189 MVN 0.8726
190 B62 0.8726
191 B55 0.8724
192 9AP 0.8724
193 N3W 0.8721
194 XFE 0.8721
195 30G 0.8721
196 TIY 0.8716
197 MUR 0.8714
198 XHP 0.8712
199 B21 0.8712
200 ITE 0.8712
201 X48 0.8710
202 L1O 0.8710
203 75K 0.8706
204 0HN 0.8705
205 UAN 0.8705
206 IQZ 0.8705
207 6ME 0.8704
208 15E 0.8703
209 44W 0.8702
210 BPU 0.8702
211 GDE 0.8699
212 8TX 0.8699
213 6FZ 0.8698
214 0N7 0.8697
215 8IG 0.8697
216 LDR 0.8697
217 LQ2 0.8695
218 1DR 0.8692
219 IDD 0.8691
220 LUM 0.8690
221 4B0 0.8688
222 R9Y 0.8687
223 L22 0.8686
224 3DT 0.8686
225 EMZ 0.8685
226 FGZ 0.8684
227 HRM 0.8684
228 GO2 0.8682
229 5JQ 0.8681
230 8WO 0.8681
231 LL1 0.8681
232 4I8 0.8678
233 L46 0.8678
234 5RO 0.8677
235 ZEC 0.8676
236 DPT 0.8674
237 JF2 0.8673
238 HNT 0.8673
239 BA5 0.8672
240 2J1 0.8672
241 TBS 0.8671
242 K8X 0.8671
243 B2E 0.8670
244 CK2 0.8669
245 55D 0.8667
246 P9I 0.8666
247 HQD 0.8666
248 BTY 0.8665
249 0HO 0.8663
250 BEA 0.8662
251 IPD 0.8661
252 GNY 0.8661
253 QMS 0.8661
254 AJY 0.8661
255 549 0.8659
256 8ZE 0.8656
257 2HC 0.8656
258 4ME 0.8656
259 SKF 0.8653
260 61M 0.8651
261 GNJ 0.8650
262 SYA 0.8649
263 APZ 0.8649
264 JU2 0.8646
265 EN1 0.8645
266 JAW 0.8645
267 5NN 0.8645
268 CLZ 0.8644
269 92P 0.8644
270 DNQ 0.8642
271 6ZW 0.8641
272 6VD 0.8640
273 27B 0.8640
274 IPT 0.8639
275 JTH 0.8638
276 96R 0.8637
277 K6X 0.8633
278 78Y 0.8632
279 M5H 0.8631
280 GDL 0.8630
281 P80 0.8629
282 X0W 0.8626
283 9UL 0.8623
284 JRO 0.8623
285 AJG 0.8622
286 JDN 0.8622
287 S0E 0.8622
288 HBI 0.8622
289 TJM 0.8621
290 0SY 0.8620
291 9TF 0.8620
292 H70 0.8620
293 226 0.8618
294 Z5P 0.8615
295 8G6 0.8615
296 8XL 0.8614
297 9CA 0.8611
298 AZ9 0.8610
299 P7Y 0.8609
300 97T 0.8608
301 TNF 0.8605
302 28N 0.8604
303 N2I 0.8604
304 LFN 0.8602
305 FLV 0.8602
306 4XV 0.8599
307 VK3 0.8598
308 VNL 0.8598
309 NTZ 0.8598
310 JND 0.8597
311 PJW 0.8596
312 4XS 0.8596
313 2AK 0.8596
314 BSP 0.8595
315 PPY 0.8595
316 3A9 0.8595
317 MS9 0.8594
318 TQU 0.8593
319 J9Q 0.8593
320 36E 0.8592
321 2O6 0.8592
322 1IT 0.8591
323 6NI 0.8591
324 BP7 0.8589
325 NDM 0.8589
326 EWG 0.8588
327 VC3 0.8587
328 JB8 0.8585
329 VM1 0.8584
330 PEY 0.8583
331 9FL 0.8583
332 4NO 0.8583
333 P9E 0.8581
334 BZJ 0.8580
335 EUE 0.8578
336 PTS 0.8576
337 465 0.8575
338 2WU 0.8574
339 6NT 0.8573
340 0F9 0.8573
341 3NY 0.8570
342 M3F 0.8568
343 PHH 0.8565
344 ZRK 0.8564
345 DDU 0.8564
346 2AN 0.8562
347 2HU 0.8560
348 ONR 0.8559
349 KDV 0.8557
350 EVF 0.8556
351 IBM 0.8554
352 HQJ 0.8554
353 9KZ 0.8553
354 NQ 0.8551
355 IL5 0.8550
356 BDP 0.8548
357 5XL 0.8544
358 UFV 0.8541
359 DUR 0.8534
360 7FU 0.8534
361 N0Z 0.8528
362 K7H 0.8526
363 K82 0.8525
364 PIQ 0.8525
365 TT4 0.8523
366 OQC 0.8520
367 MD6 0.8520
368 MFZ 0.8515
369 MPV 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UXH; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3uxh.bio1) has 87 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3UXH; Ligand: UXH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3uxh.bio1) has 86 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3UXH; Ligand: UXH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3uxh.bio1) has 87 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3UXH; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3uxh.bio1) has 86 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback