Receptor
PDB id Resolution Class Description Source Keywords
3G5M 1.84 Å EC: 1.10.5.1 SYNTHESIS OF CASIMIROIN AND OPTIMIZATION OF ITS QUINONE REDUCTASE 2 AND AROMATASE INHIBITORY ACTIVITY HOMO SAPIENS CASIMIROIN QR2 NQ02 CYTOPLASM FAD FLAVOPROTEIN METAL- BINDING OXIDOREDUCTASE PHOSPHOPROTEIN POLYMORPHISM ZINC
Ref.: SYNTHESIS OF CASIMIROIN AND OPTIMIZATION OF ITS QUINONE REDUCTASE 2 AND AROMATASE INHIBITORY ACTIVITIES. J.MED.CHEM. V. 52 1873 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:235;
B:233;
 Valid;
Valid;
 none;
none;
 submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
XM5 A:232;
A:233;
A:234;
B:232;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 ic50 = 54.1 uM
233.22 C12 H11 N O4 CN1c2...
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: XM5; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 XM5 1 1
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: XM5; Similar ligands found: 428
No: Ligand Similarity coefficient
1 H05 0.9362
2 FLV 0.9362
3 537 0.9325
4 NAG 0.9314
5 MUR 0.9310
6 64C 0.9288
7 I6G 0.9287
8 F2W 0.9285
9 9TF 0.9285
10 X11 0.9261
11 582 0.9253
12 GNV 0.9239
13 JTA 0.9228
14 344 0.9221
15 226 0.9211
16 X8D 0.9197
17 UFO 0.9197
18 BA5 0.9193
19 E1K 0.9191
20 9AP 0.9189
21 878 0.9180
22 GSY 0.9175
23 8XQ 0.9175
24 DPT 0.9169
25 2JK 0.9162
26 JR2 0.9159
27 AY4 0.9159
28 LOG 0.9157
29 BPU 0.9155
30 0XT 0.9152
31 JY4 0.9150
32 LDR 0.9148
33 2FQ 0.9145
34 AO6 0.9137
35 MXX 0.9136
36 5VJ 0.9136
37 4AN 0.9129
38 X0W 0.9126
39 774 0.9116
40 FDR 0.9113
41 C8O 0.9109
42 KWH 0.9099
43 KW8 0.9097
44 TIY 0.9094
45 9UG 0.9092
46 ST1 0.9091
47 DNA 0.9088
48 9LI 0.9086
49 F95 0.9081
50 JG8 0.9078
51 MNX 0.9078
52 64E 0.9078
53 P9I 0.9076
54 P9T 0.9074
55 30G 0.9071
56 JU2 0.9068
57 RB2 0.9068
58 6BL 0.9067
59 JP2 0.9066
60 DK1 0.9062
61 3J8 0.9059
62 5WT 0.9058
63 GDL 0.9055
64 HBO 0.9053
65 BGU 0.9050
66 HNQ 0.9049
67 K68 0.9048
68 S60 0.9047
69 GNM 0.9045
70 EMO 0.9043
71 7FF 0.9040
72 NDG 0.9035
73 7B3 0.9035
74 HHS 0.9034
75 GTV 0.9034
76 1KP 0.9033
77 GNY 0.9032
78 MT8 0.9032
79 7I2 0.9024
80 OCZ 0.9021
81 XQK 0.9018
82 7SX 0.9013
83 JXW 0.9013
84 WUB 0.9010
85 CNI 0.9005
86 AH9 0.9005
87 SYA 0.9004
88 TXQ 0.9003
89 GNJ 0.9002
90 ZYR 0.8994
91 MNY 0.8993
92 2J9 0.8989
93 M5N 0.8988
94 CB1 0.8988
95 2D3 0.8988
96 4NO 0.8987
97 DPZ 0.8985
98 692 0.8985
99 CCV 0.8984
100 CLZ 0.8983
101 DX1 0.8983
102 HNA 0.8983
103 28N 0.8980
104 NRA 0.8980
105 982 0.8979
106 HQD 0.8979
107 RH1 0.8977
108 GHM 0.8977
109 ANC 0.8977
110 V1T 0.8974
111 LP8 0.8972
112 IQZ 0.8972
113 6QF 0.8971
114 5PX 0.8970
115 PH2 0.8959
116 N0Z 0.8959
117 H70 0.8950
118 NTZ 0.8950
119 JYB 0.8947
120 4MU 0.8945
121 1X7 0.8944
122 AH6 0.8943
123 LI6 0.8943
124 7ME 0.8942
125 AJV 0.8940
126 3Y7 0.8940
127 1X8 0.8937
128 3QV 0.8933
129 YKG 0.8932
130 H5B 0.8929
131 B56 0.8928
132 8G6 0.8928
133 BZE 0.8924
134 APZ 0.8921
135 BPY 0.8919
136 K3Q 0.8917
137 1YL 0.8917
138 IBM 0.8916
139 5RO 0.8913
140 8MO 0.8911
141 8VE 0.8911
142 JXZ 0.8911
143 THA 0.8910
144 G12 0.8909
145 K44 0.8907
146 2K8 0.8904
147 9KT 0.8903
148 0F9 0.8898
149 R6T 0.8896
150 AA 0.8896
151 6X9 0.8896
152 DRG 0.8891
153 44V 0.8890
154 II4 0.8890
155 2J2 0.8890
156 DQU 0.8888
157 A1Y 0.8888
158 8HC 0.8887
159 JXN 0.8885
160 PQ0 0.8884
161 TWO 0.8884
162 BZJ 0.8881
163 ROI 0.8881
164 0FK 0.8881
165 XFE 0.8880
166 GRI 0.8879
167 JWS 0.8878
168 HHR 0.8877
169 209 0.8877
170 AJY 0.8877
171 ANF 0.8876
172 9KZ 0.8873
173 TOF 0.8871
174 9UL 0.8871
175 8WZ 0.8868
176 B21 0.8866
177 0N7 0.8865
178 DNQ 0.8865
179 CFF 0.8860
180 OTW 0.8858
181 L5E 0.8856
182 44W 0.8853
183 UXH 0.8853
184 M3E 0.8852
185 4KL 0.8851
186 18N 0.8850
187 5NE 0.8849
188 Q77 0.8848
189 CLI 0.8848
190 DX3 0.8844
191 3TJ 0.8842
192 PX7 0.8842
193 3N4 0.8839
194 FUJ 0.8838
195 Q7A 0.8837
196 KWQ 0.8837
197 5NS 0.8834
198 8NX 0.8831
199 3MG 0.8831
200 RZH 0.8830
201 DNF 0.8823
202 6ME 0.8823
203 ONR 0.8820
204 BEA 0.8819
205 0FO 0.8819
206 IQA 0.8818
207 E7R 0.8818
208 CK2 0.8818
209 VKE 0.8814
210 PEY 0.8814
211 B62 0.8810
212 68A 0.8810
213 EYA 0.8807
214 FBG 0.8806
215 RHN 0.8804
216 R9Y 0.8803
217 7M6 0.8803
218 4RU 0.8801
219 MVN 0.8801
220 ZME 0.8801
221 54X 0.8800
222 AZ9 0.8800
223 NGO 0.8797
224 JYT 0.8797
225 M1Z 0.8796
226 8W9 0.8796
227 O82 0.8793
228 H33 0.8793
229 BDP 0.8790
230 9CE 0.8789
231 XHP 0.8788
232 Q71 0.8787
233 EYM 0.8786
234 OA3 0.8786
235 KGK 0.8784
236 KFH 0.8782
237 TWB 0.8780
238 20J 0.8780
239 GO0 0.8779
240 MM2 0.8779
241 MVL 0.8779
242 OAI 0.8778
243 SG2 0.8778
244 L07 0.8777
245 2GQ 0.8776
246 TTY 0.8775
247 GF4 0.8774
248 0W1 0.8771
249 EV3 0.8771
250 Z73 0.8771
251 5F5 0.8770
252 W8G 0.8767
253 SNG 0.8767
254 B60 0.8767
255 WSD 0.8766
256 WS7 0.8765
257 DNC 0.8762
258 GJP 0.8758
259 67X 0.8758
260 4ME 0.8758
261 ACE TRP 0.8756
262 MNS 0.8756
263 IQ5 0.8755
264 39O 0.8754
265 19E 0.8750
266 L7T 0.8749
267 3IT 0.8746
268 UQ 0.8746
269 5TY 0.8746
270 1HN 0.8745
271 MM1 0.8745
272 VK3 0.8744
273 EY7 0.8743
274 N8Y 0.8742
275 TXW 0.8742
276 M3F 0.8740
277 D07 0.8736
278 6VD 0.8736
279 64F 0.8735
280 LZ2 0.8735
281 MUA 0.8734
282 C9E 0.8734
283 ZVO 0.8733
284 BIK 0.8731
285 Z5P 0.8731
286 EV2 0.8730
287 KYA 0.8727
288 I7C 0.8725
289 5VL 0.8724
290 GI3 0.8723
291 AH3 0.8723
292 HKD 0.8722
293 X0T 0.8722
294 URI 0.8722
295 PQK 0.8721
296 KIF 0.8714
297 5SB 0.8714
298 GCW 0.8712
299 6ZW 0.8712
300 TNF 0.8711
301 SYR 0.8711
302 VXX 0.8711
303 LZB 0.8711
304 LFN 0.8710
305 MAQ 0.8710
306 ALR 0.8709
307 0FR 0.8708
308 3E2 0.8708
309 CKA 0.8708
310 1QP 0.8707
311 TQU 0.8705
312 B5D 0.8704
313 K32 0.8703
314 KLK 0.8703
315 6E8 0.8703
316 96R 0.8703
317 AVR 0.8702
318 ST4 0.8699
319 S98 0.8698
320 39Z 0.8698
321 06B 0.8694
322 DIN 0.8693
323 PHH 0.8690
324 PRF 0.8688
325 5WY 0.8688
326 2KA 0.8685
327 7VS 0.8683
328 IP2 0.8682
329 1FL 0.8681
330 2WU 0.8678
331 NOM 0.8678
332 9R5 0.8677
333 A7W 0.8675
334 5F8 0.8674
335 1YE 0.8672
336 7MX 0.8672
337 HRD 0.8672
338 8GK 0.8671
339 OTA 0.8670
340 465 0.8665
341 VM1 0.8662
342 2AK 0.8661
343 JUG 0.8660
344 IA2 0.8658
345 5OF 0.8656
346 LUM 0.8654
347 W81 0.8653
348 MS0 0.8652
349 7ZE 0.8650
350 GO1 0.8650
351 G1O 0.8649
352 MXD 0.8648
353 LEL 0.8647
354 NGA 0.8644
355 T28 0.8643
356 BIO 0.8643
357 NID 0.8639
358 TCR 0.8638
359 KMY 0.8637
360 21D 0.8637
361 QNA 0.8631
362 4VS 0.8631
363 M0W 0.8628
364 TEP 0.8627
365 RXA 0.8626
366 EWG 0.8626
367 KT7 0.8624
368 5V7 0.8624
369 OPA 0.8623
370 BK9 0.8620
371 NDM 0.8618
372 NQ 0.8616
373 HLZ 0.8615
374 AC2 0.8615
375 9FL 0.8615
376 2LY 0.8615
377 WS6 0.8608
378 3PF 0.8607
379 3GQ 0.8604
380 LL1 0.8603
381 HA5 0.8602
382 AXX 0.8602
383 761 0.8601
384 MRW 0.8597
385 M1H 0.8596
386 AN3 0.8595
387 GIM 0.8593
388 1IT 0.8593
389 9CA 0.8592
390 ESI 0.8592
391 HRM 0.8591
392 F5C 0.8589
393 4E3 0.8586
394 LFQ 0.8586
395 V2Z 0.8585
396 549 0.8584
397 H4B 0.8581
398 27B 0.8579
399 15N 0.8575
400 C2Y 0.8573
401 37T 0.8573
402 M5H 0.8572
403 REF 0.8570
404 A29 0.8567
405 IPT 0.8567
406 F6P 0.8565
407 0JD 0.8565
408 K66 0.8565
409 25O 0.8564
410 372 0.8560
411 HQJ 0.8559
412 MOK 0.8558
413 PYQ 0.8558
414 6PB 0.8557
415 2ZQ 0.8556
416 BSP 0.8556
417 DBJ 0.8556
418 IL5 0.8555
419 G1P 0.8554
420 KTW 0.8549
421 AIN 0.8536
422 G3E 0.8534
423 C09 0.8533
424 CTS 0.8532
425 EAE 0.8532
426 L5V 0.8529
427 KUF 0.8514
428 PQZ 0.8512
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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