Receptor
PDB id Resolution Class Description Source Keywords
2QWX 1.5 Å EC: 1.10.5.1 CRYSTAL STRUCTURE OF QUINONE REDUCTASE II HOMO SAPIENS QR2 FAD FLAVOPROTEIN METAL-BINDING OXIDOREDUCTASE
Ref.: KINETIC, THERMODYNAMIC AND X-RAY STRUCTURAL INSIGHT THE INTERACTION OF MELATONIN AND ANALOGUES WITH QUI REDUCTASE 2. BIOCHEM.J. V. 413 81 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:232;
B:232;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
ML1 A:233;
B:233;
Valid;
Valid;
none;
none;
Kd = 1.4 uM
232.278 C13 H16 N2 O2 CC(=O...
ZN A:231;
B:231;
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: ML1; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 ML1 1 1
2 F1V 0.733333 0.914894
3 ET0 0.627119 0.645833
4 HWH 0.616667 0.729167
5 ASE 0.606557 0.888889
6 MZC 0.590909 0.803922
7 MYI 0.55 0.625
8 7ZC 0.533333 0.627451
9 ML2 0.485294 0.846154
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: ML1; Similar ligands found: 338
No: Ligand Similarity coefficient
1 2UD 0.9350
2 AC2 0.9314
3 0H5 0.9270
4 BB4 0.9259
5 BC3 0.9207
6 3IB 0.9183
7 QUB 0.9182
8 PE2 0.9165
9 SU9 0.9154
10 CDY 0.9149
11 NWD 0.9141
12 43O 0.9139
13 34L 0.9137
14 Q5M 0.9124
15 VYM 0.9121
16 74Z 0.9105
17 ZIP 0.9105
18 NAR 0.9099
19 28S 0.9093
20 108 0.9082
21 S8J 0.9078
22 DFV 0.9062
23 M1D 0.9062
24 AGI 0.9060
25 2T4 0.9054
26 JTF 0.9046
27 HAN 0.9026
28 3TI 0.9023
29 LQG 0.9019
30 R4E 0.9017
31 L12 0.9016
32 TRP 0.9012
33 4RG 0.9010
34 SAK 0.9009
35 BSV 0.9002
36 BJ4 0.9001
37 MH5 0.9000
38 39Z 0.8999
39 933 0.8994
40 UI2 0.8993
41 GA2 0.8993
42 GZV 0.8989
43 EYA 0.8989
44 ITW 0.8987
45 FIP 0.8980
46 T34 0.8978
47 KMP 0.8972
48 APQ 0.8969
49 C09 0.8967
50 JBB 0.8965
51 8RK 0.8964
52 3JC 0.8964
53 SGW 0.8962
54 6XC 0.8961
55 CL9 0.8959
56 1FE 0.8959
57 6B5 0.8958
58 19R 0.8953
59 LLG 0.8947
60 DL6 0.8942
61 96Z 0.8941
62 4VT 0.8941
63 ZEA 0.8940
64 4ZF 0.8934
65 JHY 0.8933
66 772 0.8932
67 AIQ 0.8931
68 O9Z 0.8929
69 5ER 0.8927
70 DE7 0.8927
71 35K 0.8926
72 H7S 0.8924
73 C9M 0.8924
74 D80 0.8921
75 4YF 0.8919
76 GNG 0.8918
77 XG1 0.8918
78 2FD 0.8917
79 52F 0.8915
80 5EZ 0.8913
81 3IL 0.8912
82 27K 0.8911
83 F91 0.8905
84 32V 0.8900
85 P1J 0.8898
86 52X 0.8898
87 3WL 0.8896
88 H35 0.8894
89 57D 0.8891
90 6NJ 0.8890
91 E9L 0.8889
92 O9T 0.8888
93 DDC 0.8887
94 M49 0.8883
95 EEY 0.8882
96 695 0.8882
97 4Z9 0.8881
98 ZEZ 0.8877
99 64F 0.8877
100 26K 0.8869
101 YEX 0.8864
102 PZB 0.8864
103 8G6 0.8863
104 LTN 0.8857
105 5NN 0.8856
106 M3W 0.8856
107 3D3 0.8855
108 T61 0.8854
109 EMU 0.8853
110 YE7 0.8853
111 JYK 0.8851
112 GOW 0.8851
113 M62 0.8850
114 CDJ 0.8848
115 TR7 0.8846
116 AZY 0.8846
117 LZ7 0.8846
118 GUS 0.8846
119 JY2 0.8845
120 JWW 0.8842
121 9RK 0.8840
122 9XZ 0.8839
123 9BF 0.8835
124 LU2 0.8833
125 EYM 0.8832
126 WA2 0.8829
127 ELH 0.8827
128 CWE 0.8824
129 GW9 0.8824
130 245 0.8823
131 JYE 0.8822
132 XJ2 0.8822
133 QUE 0.8821
134 IOP 0.8819
135 AEY 0.8819
136 RK4 0.8818
137 CX4 0.8818
138 1Q4 0.8817
139 DTR 0.8814
140 8HG 0.8813
141 FVY 0.8813
142 JFS 0.8811
143 PZX 0.8808
144 3EB 0.8808
145 7LU 0.8807
146 1A6 0.8805
147 IAG 0.8804
148 GJK 0.8804
149 NIP 0.8796
150 EYY 0.8795
151 NIY 0.8794
152 SY4 0.8793
153 3M8 0.8792
154 IM5 0.8790
155 JZR 0.8790
156 SRO 0.8789
157 3GX 0.8787
158 M9N 0.8786
159 NAL 0.8784
160 5DE 0.8781
161 CIY 0.8780
162 0QA 0.8779
163 LI7 0.8779
164 JYW 0.8778
165 TVZ 0.8778
166 FER 0.8777
167 BHF 0.8776
168 LI4 0.8774
169 OAQ 0.8773
170 RKY 0.8772
171 JXT 0.8772
172 DUL 0.8772
173 EVO 0.8771
174 96U 0.8771
175 D87 0.8770
176 HA6 0.8769
177 C4E 0.8768
178 JAA 0.8766
179 372 0.8764
180 ZYC 0.8763
181 WUL 0.8758
182 DFL 0.8757
183 O9Q 0.8756
184 D8I 0.8750
185 G30 0.8750
186 SCE 0.8749
187 BWD 0.8747
188 CWD 0.8746
189 3NM 0.8743
190 GQZ 0.8743
191 4OG 0.8741
192 9F8 0.8739
193 NU3 0.8738
194 JXQ 0.8734
195 HPX 0.8733
196 FYJ 0.8732
197 20D 0.8732
198 5WN 0.8731
199 A8D 0.8730
200 VT3 0.8730
201 W8L 0.8727
202 1R5 0.8726
203 DTE 0.8721
204 9PP 0.8717
205 KWK 0.8706
206 RGK 0.8705
207 KWV 0.8703
208 AMR 0.8701
209 UV4 0.8700
210 LFK 0.8700
211 GQE 0.8699
212 08C 0.8698
213 DXK 0.8696
214 TXW 0.8695
215 5B2 0.8695
216 RGG 0.8691
217 3N4 0.8691
218 4K2 0.8690
219 DN8 0.8690
220 NFZ 0.8690
221 OSY 0.8688
222 0RU 0.8686
223 GAT 0.8686
224 DTB 0.8685
225 N18 0.8684
226 EBQ 0.8684
227 1V1 0.8684
228 WG8 0.8683
229 25F 0.8683
230 4TX 0.8682
231 7PS 0.8678
232 Q9T 0.8678
233 7NU 0.8675
234 BXS 0.8671
235 57U 0.8671
236 4B0 0.8671
237 LRW 0.8670
238 SZ5 0.8668
239 H2W 0.8666
240 FT6 0.8665
241 1HP 0.8663
242 XFE 0.8660
243 ENN 0.8659
244 JYM 0.8659
245 UQ1 0.8658
246 EBB 0.8658
247 GWD 0.8658
248 8Y7 0.8658
249 M3Q 0.8656
250 B5A 0.8655
251 FDZ 0.8655
252 8M5 0.8654
253 XEN 0.8654
254 3F4 0.8653
255 PNX 0.8653
256 UNM 0.8653
257 7VY 0.8651
258 CG 0.8649
259 B4L 0.8648
260 PMM 0.8648
261 RNP 0.8647
262 BRY 0.8647
263 5HG 0.8647
264 M9K 0.8645
265 FSU 0.8645
266 5WW 0.8644
267 3XL 0.8642
268 U4J 0.8642
269 HH6 0.8642
270 C0V 0.8640
271 5P3 0.8637
272 0SX 0.8637
273 PJK 0.8636
274 ONZ 0.8632
275 B0K 0.8631
276 1HR 0.8629
277 0XR 0.8629
278 S8D 0.8628
279 MBP 0.8627
280 XY2 0.8625
281 DQH 0.8625
282 FSE 0.8622
283 XEZ 0.8622
284 X0T 0.8621
285 GKW 0.8621
286 77X 0.8621
287 D8B 0.8620
288 7G2 0.8618
289 B2E 0.8616
290 IBM 0.8614
291 0V8 0.8613
292 8YH 0.8613
293 JGY 0.8612
294 TCW 0.8611
295 BUN 0.8611
296 HMZ 0.8607
297 CTE 0.8605
298 092 0.8605
299 FZB 0.8600
300 0OP 0.8600
301 A3V 0.8599
302 5PK 0.8598
303 4Y2 0.8596
304 8BD 0.8596
305 P34 0.8592
306 QDR 0.8589
307 GMP 0.8587
308 RFZ 0.8585
309 2LW 0.8584
310 EDG AHR 0.8584
311 RDL 0.8583
312 GHQ 0.8582
313 N7I 0.8581
314 DH2 0.8580
315 4MX 0.8578
316 6DQ 0.8577
317 U5P 0.8574
318 2QU 0.8569
319 PBG 0.8567
320 64E 0.8566
321 THM 0.8566
322 RDV 0.8565
323 0NH 0.8561
324 67Y 0.8558
325 TIZ 0.8556
326 2L2 0.8554
327 LR2 0.8554
328 M01 0.8552
329 9X0 0.8551
330 AZU 0.8550
331 FC2 0.8550
332 QS4 0.8546
333 SNP 0.8543
334 IPJ 0.8543
335 6BK 0.8532
336 BTN 0.8532
337 GOE 0.8524
338 FUZ 0.8516
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
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