Receptor
PDB id Resolution Class Description Source Keywords
3ox2 2.41 Å EC: 1.10.5.1 X-RAY STRUCTURAL STUDY OF QUINONE REDUCTASE II INHIBITION BY WITH MICROMOLAR TO NANOMOLAR RANGE IC50 VALUES HOMO SAPIENS QR2 NQ02 FLAVOPROTEIN METAL-2 BINDING OXIDOREDUCTASE PHOSPHOPROTEIN FAD
Ref.: X-RAY STRUCTURAL STUDIES OF QUINONE REDUCTASE 2 NAN RANGE INHIBITORS. PROTEIN SCI. V. 20 1182 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
79X A:233;
B:233;
 Valid;
Valid;
 none;
none;
 ic50 = 704 nM
295.289 C17 H13 N O4 COc1c...
FAD A:232;
B:232;
 Valid;
Valid;
 none;
none;
 submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
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: 79X; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 79X 1 1
Ligand no: 2; 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
Similar Ligands (3D)
Ligand no: 1; Ligand: 79X; Similar ligands found: 208
No: Ligand Similarity coefficient
1 HWB 0.9435
2 QUE 0.9353
3 KMP 0.9258
4 AGI 0.9157
5 ESM 0.9145
6 MYC 0.9115
7 EES 0.9114
8 334 0.9109
9 LU2 0.9089
10 907 0.9086
11 O9T 0.9082
12 O9Z 0.9080
13 BRY 0.9079
14 HUL 0.9076
15 NAR 0.9062
16 ECS 0.9058
17 GEN 0.9054
18 4B8 0.9050
19 6JP 0.9047
20 8E3 0.9030
21 DQH 0.9024
22 DX8 0.9018
23 5OR 0.9014
24 MRI 0.9010
25 CUE 0.9010
26 FSE 0.9007
27 QGE 0.9002
28 3WL 0.9001
29 G2V 0.8988
30 1R5 0.8976
31 8EC 0.8959
32 8E6 0.8956
33 123 0.8943
34 6BK 0.8939
35 18E 0.8938
36 MYU 0.8931
37 E92 0.8928
38 39R 0.8924
39 DX7 0.8917
40 AX1 0.8916
41 36K 0.8915
42 5EZ 0.8899
43 X2L 0.8892
44 CTI 0.8884
45 EST 0.8880
46 57D 0.8879
47 SDN 0.8878
48 1DR 0.8872
49 397 0.8867
50 OQR 0.8866
51 ZTW 0.8864
52 8M5 0.8863
53 CWE 0.8856
54 0NJ 0.8855
55 E98 0.8855
56 EQU 0.8852
57 802 0.8850
58 3MI 0.8850
59 DEH 0.8848
60 MR4 0.8842
61 6JM 0.8842
62 IRH 0.8842
63 RF2 0.8836
64 LIG 0.8835
65 39Z 0.8834
66 LI7 0.8826
67 SAU 0.8825
68 AO 0.8823
69 ESL 0.8822
70 OAQ 0.8821
71 LFN 0.8816
72 FXE 0.8803
73 7FZ 0.8794
74 BER 0.8792
75 WG8 0.8791
76 NKI 0.8788
77 245 0.8783
78 OUG 0.8781
79 OUA 0.8780
80 AOI 0.8780
81 7G2 0.8778
82 MR5 0.8777
83 NU3 0.8775
84 RGK 0.8773
85 120 0.8771
86 TES 0.8770
87 M16 0.8770
88 124 0.8768
89 SAK 0.8767
90 17M 0.8762
91 J2W 0.8760
92 8SK 0.8759
93 CR4 0.8758
94 NRA 0.8753
95 J8D 0.8751
96 RHN 0.8750
97 MBT 0.8749
98 801 0.8747
99 1EL 0.8745
100 68C 0.8741
101 697 0.8739
102 AOM 0.8738
103 A26 0.8737
104 6ZE 0.8736
105 6JO 0.8736
106 XYP XYP 0.8734
107 BMZ 0.8731
108 H2W 0.8729
109 INR 0.8725
110 CDJ 0.8721
111 IXM 0.8721
112 H32 0.8716
113 27F 0.8716
114 W8L 0.8715
115 BUX 0.8714
116 SLX 0.8714
117 SU9 0.8714
118 5SD 0.8713
119 J3Z 0.8713
120 338 0.8712
121 4AJ 0.8711
122 135 0.8710
123 5Z5 0.8707
124 CC6 0.8707
125 TNC 0.8702
126 ESZ 0.8701
127 1UR 0.8700
128 ESR 0.8697
129 ASD 0.8696
130 6VW 0.8696
131 1V0 0.8696
132 1V1 0.8692
133 DHT 0.8691
134 WLH 0.8688
135 EI1 0.8684
136 1UZ 0.8682
137 IQZ 0.8681
138 DX2 0.8681
139 4CN 0.8680
140 II4 0.8679
141 LUM 0.8676
142 AP6 0.8676
143 1V4 0.8670
144 1V8 0.8668
145 4HG 0.8668
146 20D 0.8666
147 IIH 0.8665
148 Q7U 0.8664
149 E9L 0.8663
150 SZ5 0.8659
151 X2M 0.8658
152 MR6 0.8655
153 AZN 0.8654
154 1V3 0.8653
155 3F4 0.8652
156 1UT 0.8651
157 5WW 0.8650
158 DFL 0.8647
159 STR 0.8644
160 6QT 0.8643
161 AOX 0.8643
162 A73 0.8643
163 VT3 0.8640
164 SGW 0.8637
165 789 0.8637
166 6H2 0.8636
167 R18 0.8627
168 29F 0.8622
169 HRD 0.8618
170 MRE 0.8618
171 25F 0.8616
172 M3W 0.8616
173 P34 0.8615
174 IDZ 0.8614
175 7GK 0.8611
176 5XM 0.8609
177 62D 0.8609
178 19E 0.8607
179 PLO 0.8607
180 A63 0.8606
181 STL 0.8603
182 97K 0.8602
183 E3U 0.8602
184 NKH 0.8601
185 AND 0.8597
186 2PW 0.8595
187 L43 0.8588
188 CYZ 0.8585
189 BJ4 0.8583
190 XAV 0.8574
191 Q92 0.8560
192 06R 0.8558
193 PIQ 0.8558
194 A9B 0.8557
195 AQN 0.8556
196 122 0.8556
197 0SX 0.8556
198 609 0.8552
199 BHF 0.8549
200 UAY 0.8546
201 F36 0.8544
202 PDN 0.8541
203 J2Q 0.8541
204 4BE 0.8540
205 NOM 0.8530
206 1FL 0.8524
207 EAE 0.8522
208 47X 0.8516
Ligand no: 2; Ligand: FAD; Similar ligands found: 1
No: Ligand Similarity coefficient
1 FDA T2C 0.8610
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