Receptor
PDB id Resolution Class Description Source Keywords
1QRD 2.4 Å EC: 1.6.99.2 QUINONE REDUCTASE/FAD/CIBACRON BLUE/DUROQUINONE COMPLEX RATTUS RATTUS QUINONE-REDUCTASE (CYTOSOLIC) OXIDOREDUCTASE FLAVOPROTEIN
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF NAD(P)H:QUINONE REDUCTASE, A FLAVOPROTEIN INVOLVED IN CANCER CHEMOP AND CHEMOTHERAPY: MECHANISM OF THE TWO-ELECTRON RED PROC.NATL.ACAD.SCI.USA V. 92 8846 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CBD A:275;
B:275;
Invalid;
Invalid;
none;
none;
submit data
774.157 C29 H20 Cl N7 O11 S3 c1ccc...
DQN A:276;
B:276;
Valid;
Valid;
none;
none;
submit data
164.201 C10 H12 O2 CC1=C...
FAD A:274;
B:274;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QRD 2.4 Å EC: 1.6.99.2 QUINONE REDUCTASE/FAD/CIBACRON BLUE/DUROQUINONE COMPLEX RATTUS RATTUS QUINONE-REDUCTASE (CYTOSOLIC) OXIDOREDUCTASE FLAVOPROTEIN
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF NAD(P)H:QUINONE REDUCTASE, A FLAVOPROTEIN INVOLVED IN CANCER CHEMOP AND CHEMOTHERAPY: MECHANISM OF THE TWO-ELECTRON RED PROC.NATL.ACAD.SCI.USA V. 92 8846 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1QRD - DQN C10 H12 O2 CC1=C(C(=O....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QBG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1KBO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3JSX ic50 = 7.7 nM CC2 C22 H18 O3 Cc1cc2c(cc....
4 1KBQ Ki = 0.45 uM 936 C18 H16 N2 O6 Cc1c(c2c(n....
5 1H66 - RH1 C12 H14 N2 O3 CC1=C(C(=O....
6 4CET Kd = 428 nM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 6LLC - EHL C14 H10 N4 O4 S Cc1c(c(no1....
8 1H69 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 1D4A - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 1GG5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 5EA2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 5A4K Kd = 155 nM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1DXO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 1QRD - DQN C10 H12 O2 CC1=C(C(=O....
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: DQN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DQN 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: DQN; Similar ligands found: 689
No: Ligand Similarity coefficient
1 ISE 1.0000
2 TBS 1.0000
3 PCI 0.9982
4 HFB 0.9979
5 INS 0.9977
6 BBF 0.9957
7 BCF 0.9912
8 25W 0.9887
9 IBF 0.9881
10 F3B 0.9880
11 G6D 0.9869
12 XXR 0.9793
13 PFB 0.9792
14 3RK 0.9756
15 F5B 0.9706
16 UQ 0.9692
17 PBR 0.9688
18 EXO 0.9682
19 GLC 0.9680
20 BGC 0.9649
21 LGC 0.9622
22 KJY 0.9620
23 G3F 0.9605
24 8S0 0.9603
25 5CL 0.9599
26 GCS 0.9592
27 XYP 0.9591
28 I1N 0.9590
29 LXC 0.9583
30 GAL 0.9577
31 GIM 0.9558
32 RAM 0.9552
33 MT5 0.9550
34 NTZ 0.9541
35 JUG 0.9527
36 FUL 0.9517
37 KBG 0.9506
38 TEP 0.9504
39 RPQ 0.9493
40 G1O 0.9489
41 39A 0.9487
42 AEZ 0.9480
43 3MG 0.9474
44 3WA 0.9468
45 HTP 0.9467
46 94B 0.9467
47 GRE 0.9466
48 6F0 0.9463
49 SHG 0.9443
50 CFF 0.9442
51 2ZV 0.9437
52 6M1 0.9436
53 JBQ 0.9434
54 GLT 0.9429
55 G5V 0.9409
56 ASO 0.9400
57 LCN 0.9399
58 NOY 0.9390
59 NOJ 0.9388
60 FUC 0.9385
61 G2F 0.9382
62 12B 0.9371
63 948 0.9362
64 HHA 0.9353
65 32X 0.9345
66 06B 0.9343
67 PHH 0.9343
68 MFB 0.9342
69 XYS 0.9339
70 ARB 0.9334
71 PYQ 0.9326
72 DHQ 0.9322
73 MVL 0.9320
74 PXL 0.9316
75 3DO 0.9313
76 IFL 0.9311
77 GTZ 0.9305
78 K17 0.9303
79 9KT 0.9302
80 1U6 0.9301
81 GCW 0.9300
82 GLF 0.9299
83 BNT 0.9292
84 2CQ 0.9291
85 UEG 0.9288
86 FCA 0.9287
87 150 0.9286
88 GOX 0.9286
89 0MK 0.9284
90 1WG 0.9283
91 3HA 0.9279
92 PA1 0.9276
93 PXM 0.9275
94 ZVO 0.9275
95 B53 0.9272
96 37T 0.9271
97 BDP 0.9265
98 EQT 0.9260
99 2H5 0.9259
100 CTS 0.9258
101 JFD 0.9257
102 FUF 0.9255
103 BTE 0.9255
104 35C 0.9247
105 X05 0.9246
106 ADK 0.9243
107 JIF 0.9242
108 RM4 0.9232
109 HZQ 0.9231
110 GCB 0.9230
111 3F0 0.9230
112 7MH 0.9227
113 BSP 0.9227
114 3M0 0.9222
115 FCB 0.9222
116 LKA 0.9221
117 LI6 0.9220
118 680 0.9217
119 T6C 0.9215
120 WOO 0.9215
121 GCU 0.9210
122 NQ 0.9210
123 RNS 0.9209
124 FE DB1 0.9204
125 B57 0.9202
126 SOE 0.9201
127 DBH 0.9201
128 5WX 0.9200
129 7B3 0.9200
130 3IT 0.9199
131 7VJ 0.9199
132 JBK 0.9198
133 ALL 0.9197
134 3MA 0.9194
135 NDM 0.9190
136 EVA 0.9190
137 YSO 0.9189
138 HLZ 0.9187
139 SOR 0.9186
140 MT0 0.9185
141 495 0.9181
142 GIO 0.9176
143 64K 0.9168
144 TC7 0.9163
145 VK3 0.9160
146 ADZ 0.9158
147 RXA 0.9157
148 F4Z 0.9156
149 5QX 0.9152
150 IFM 0.9150
151 R8V 0.9149
152 24W 0.9148
153 45C 0.9147
154 KYD 0.9147
155 BMA 0.9146
156 AFR 0.9143
157 1XN 0.9140
158 5Q0 0.9138
159 ES1 0.9138
160 FBT 0.9138
161 HQD 0.9137
162 MAN 0.9136
163 67N 0.9135
164 82I 0.9134
165 M1A 0.9133
166 1NP 0.9133
167 GUN 0.9133
168 K6X 0.9130
169 GLA 0.9130
170 HQY 0.9130
171 HH8 0.9128
172 FH2 0.9125
173 329 0.9119
174 GOG 0.9119
175 18N 0.9117
176 ZWZ 0.9117
177 DBJ 0.9116
178 MZB 0.9114
179 FDK 0.9113
180 TTL 0.9112
181 ADE 0.9112
182 AZA 0.9112
183 XAN 0.9111
184 DPZ 0.9111
185 4YS 0.9110
186 PYG 0.9110
187 GIV 0.9109
188 FDB 0.9106
189 SAL 0.9102
190 B60 0.9102
191 KJH 0.9102
192 QX2 0.9100
193 JBH 0.9100
194 1LQ 0.9100
195 12Q 0.9100
196 JPZ 0.9100
197 5IQ 0.9097
198 1LM 0.9095
199 9DG 0.9094
200 5SG 0.9094
201 Q6T 0.9094
202 1SQ 0.9093
203 O72 0.9093
204 7NI 0.9091
205 3FA 0.9090
206 4XH 0.9090
207 SJ5 0.9090
208 HPA 0.9088
209 AZ9 0.9087
210 HJP 0.9086
211 IGA 0.9082
212 149 0.9082
213 HQT 0.9080
214 42C 0.9076
215 QWW 0.9076
216 9MG 0.9076
217 7B4 0.9074
218 N5J 0.9074
219 AKH 0.9073
220 4AA 0.9072
221 BE2 0.9072
222 AJV 0.9069
223 YIO 0.9069
224 SKA 0.9068
225 23A 0.9068
226 7W1 0.9067
227 SWD 0.9066
228 5WY 0.9065
229 1GN 0.9062
230 7VS 0.9062
231 2FG 0.9060
232 GYE 0.9059
233 2C9 0.9059
234 X09 0.9057
235 ZB1 0.9057
236 MBD 0.9056
237 6MP 0.9055
238 TBP 0.9055
239 SWA 0.9052
240 CN0 0.9052
241 MAQ 0.9050
242 141 0.9049
243 ES4 0.9048
244 0TR 0.9048
245 MSN 0.9047
246 K3Q 0.9046
247 FLM 0.9044
248 9HX 0.9043
249 2CM 0.9043
250 AHR 0.9041
251 DUB 0.9041
252 A2F 0.9037
253 JBE 0.9037
254 9DA 0.9035
255 JXN 0.9032
256 SVN 0.9032
257 ARA 0.9028
258 7HP 0.9028
259 H33 0.9026
260 M0Q 0.9025
261 MNM 0.9024
262 FFP 0.9022
263 BP1 0.9020
264 7WA 0.9020
265 DX4 0.9020
266 2ZQ 0.9019
267 2MY 0.9018
268 7CZ 0.9017
269 KIB 0.9013
270 0N7 0.9012
271 FOT 0.9011
272 TTY 0.9011
273 GMN 0.9010
274 OXZ 0.9008
275 3CE 0.9008
276 TFU 0.9002
277 IJZ 0.9002
278 PM6 0.9001
279 7ZE 0.9000
280 UNC 0.9000
281 K8X 0.8999
282 SYA 0.8997
283 GCV 0.8996
284 ISN 0.8996
285 10L 0.8994
286 3MC 0.8994
287 ASC 0.8992
288 1XM 0.8991
289 DMJ 0.8990
290 290 0.8990
291 6GU 0.8989
292 PE0 0.8989
293 MA3 0.8989
294 MBG 0.8989
295 HNQ 0.8989
296 INE 0.8988
297 DFU 0.8988
298 GXL 0.8988
299 M0W 0.8987
300 CFP 0.8987
301 RIP 0.8982
302 5RG 0.8979
303 6AP 0.8979
304 KIA 0.8977
305 TOF 0.8976
306 F81 0.8974
307 YH7 0.8971
308 NDH 0.8971
309 KFH 0.8970
310 1WD 0.8970
311 KGK 0.8967
312 3MH 0.8967
313 HXX 0.8966
314 6MH 0.8966
315 MFU 0.8966
316 0CU 0.8966
317 209 0.8962
318 M1H 0.8961
319 L7T 0.8961
320 7D2 0.8961
321 7W4 0.8960
322 BCP 0.8960
323 C2U 0.8960
324 NID 0.8957
325 ES6 0.8956
326 M1Q 0.8955
327 Q24 0.8955
328 8XQ 0.8953
329 GT0 0.8952
330 X6X 0.8952
331 JKE 0.8951
332 FSW 0.8951
333 BOA 0.8950
334 Q88 0.8950
335 2D0 0.8946
336 7WV 0.8944
337 4SV 0.8941
338 0P6 0.8941
339 KKN 0.8940
340 HH5 0.8940
341 APZ 0.8938
342 3U4 0.8938
343 AZG 0.8938
344 AZ8 0.8937
345 MEW 0.8936
346 5WV 0.8936
347 GYP 0.8933
348 94N 0.8932
349 CLZ 0.8931
350 CTL 0.8930
351 MO8 0.8930
352 4HC 0.8926
353 ES0 0.8925
354 DFB 0.8923
355 GTQ 0.8922
356 BR8 0.8921
357 9PY 0.8921
358 GXY 0.8919
359 DMD 0.8919
360 9EW 0.8917
361 NPY 0.8917
362 L3Q 0.8917
363 URF 0.8916
364 A7W 0.8915
365 M5K 0.8914
366 5NU 0.8913
367 7HQ 0.8913
368 6CS 0.8912
369 CWM 0.8912
370 J9W 0.8911
371 MMA 0.8910
372 TM4 0.8910
373 3DM 0.8909
374 AQO 0.8909
375 ES7 0.8905
376 GAF 0.8904
377 AMG 0.8904
378 MCT 0.8902
379 2EC 0.8902
380 3Z7 0.8901
381 PRF 0.8899
382 AJ2 0.8899
383 8CM 0.8898
384 5CU 0.8897
385 5M0 0.8897
386 F05 0.8896
387 XBZ 0.8896
388 HLR 0.8894
389 MWM 0.8893
390 M6N 0.8892
391 GOO 0.8891
392 DIU 0.8889
393 13X 0.8885
394 43M 0.8885
395 QOS 0.8885
396 QUZ 0.8885
397 DRL 0.8884
398 CGB 0.8883
399 TDR 0.8883
400 54G 0.8882
401 EJZ 0.8881
402 2MN 0.8879
403 4ZE 0.8879
404 PQ0 0.8878
405 CWS 0.8876
406 2AC 0.8874
407 NTM 0.8874
408 MIG 0.8874
409 0FN 0.8873
410 0W8 0.8872
411 PYD 0.8871
412 2CK 0.8871
413 3Z8 0.8871
414 WBU 0.8870
415 I3A 0.8869
416 ABE 0.8868
417 DHK 0.8867
418 AZF 0.8863
419 DIE 0.8862
420 EA1 0.8860
421 AX2 0.8860
422 HMH 0.8856
423 VNJ 0.8856
424 9TZ 0.8855
425 1PT 0.8855
426 260 0.8855
427 E7Z 0.8851
428 2YU 0.8851
429 D3M 0.8849
430 P3K 0.8849
431 LT2 0.8848
432 G4D 0.8847
433 0RW 0.8846
434 KUF 0.8845
435 IV2 0.8843
436 D07 0.8840
437 M1E 0.8840
438 3ID 0.8839
439 24B 0.8837
440 KT7 0.8837
441 4AN 0.8837
442 2MP 0.8836
443 6UA 0.8836
444 XYD 0.8835
445 5MK 0.8835
446 SEJ 0.8834
447 4HO 0.8834
448 275 0.8832
449 KLW 0.8830
450 5ZE 0.8829
451 SX1 0.8828
452 6M9 0.8828
453 TH0 0.8828
454 QWN 0.8827
455 34A 0.8827
456 PX7 0.8826
457 03V 0.8824
458 TM7 0.8823
459 GTL 0.8823
460 PHT 0.8823
461 MRW 0.8823
462 95Z 0.8822
463 5MH 0.8822
464 ICP 0.8821
465 HT4 0.8820
466 MUA 0.8820
467 YTB 0.8819
468 BTY 0.8819
469 4JO 0.8819
470 12M 0.8817
471 6KX 0.8817
472 A1U 0.8817
473 5JC 0.8817
474 ERH 0.8817
475 6M4 0.8815
476 1KP 0.8812
477 3AY 0.8812
478 MT8 0.8811
479 BEA 0.8810
480 DIN 0.8809
481 G3E 0.8808
482 3PF 0.8807
483 BZX 0.8807
484 KJ5 0.8807
485 FYU 0.8806
486 1MC 0.8802
487 URC 0.8801
488 44V 0.8801
489 FA0 0.8800
490 MZG 0.8800
491 4PW 0.8798
492 TH7 0.8796
493 DOB 0.8795
494 1P7 0.8794
495 FLV 0.8790
496 226 0.8790
497 SE2 0.8789
498 B62 0.8789
499 4JJ 0.8788
500 8H8 0.8788
501 QBK 0.8786
502 MWJ 0.8785
503 HMU 0.8785
504 GTR 0.8784
505 ZZT 0.8783
506 B0D 0.8781
507 4ZC 0.8781
508 JZ2 0.8780
509 FHN 0.8780
510 86J 0.8779
511 XQG 0.8776
512 27Y 0.8776
513 5UC 0.8774
514 LSA 0.8773
515 BHA 0.8773
516 TLD 0.8772
517 BR9 0.8771
518 4M0 0.8771
519 4CL 0.8770
520 5QY 0.8770
521 3ZQ 0.8770
522 K22 0.8769
523 K5W 0.8769
524 COU 0.8765
525 4FS 0.8764
526 4Z4 0.8763
527 SFU 0.8763
528 OA3 0.8762
529 5AN 0.8761
530 8IG 0.8760
531 F0J 0.8759
532 B55 0.8759
533 1DW 0.8758
534 5RN 0.8758
535 V55 0.8757
536 X8D 0.8757
537 5B1 0.8756
538 K32 0.8755
539 1XX 0.8753
540 8TX 0.8753
541 DGJ 0.8750
542 0CT 0.8750
543 QPR 0.8750
544 GDE 0.8748
545 IDM 0.8748
546 XHP 0.8743
547 S76 0.8737
548 6BL 0.8736
549 3FH 0.8736
550 JB5 0.8732
551 FBG 0.8732
552 XQ0 0.8731
553 ADA 0.8731
554 UAN 0.8730
555 4NC 0.8726
556 H42 0.8726
557 WDL 0.8725
558 2AQ 0.8725
559 TCZ 0.8724
560 RIB 0.8720
561 JXW 0.8719
562 VNL 0.8718
563 SRO 0.8716
564 4M4 0.8716
565 4ME 0.8715
566 NSP 0.8714
567 RSF 0.8713
568 6AI 0.8713
569 2ZX 0.8712
570 JZ3 0.8712
571 QXW 0.8711
572 D48 0.8711
573 75K 0.8710
574 HX3 0.8709
575 IND 0.8709
576 Q7A 0.8704
577 IUR 0.8702
578 5WU 0.8702
579 NK 0.8702
580 2AK 0.8702
581 ES5 0.8699
582 3XX 0.8698
583 DQU 0.8696
584 OCH 0.8696
585 RM1 0.8695
586 LZ1 0.8695
587 Y8I 0.8694
588 42A 0.8692
589 SHA 0.8692
590 JAE 0.8692
591 J5I 0.8691
592 4MU 0.8689
593 F1A 0.8689
594 6VD 0.8688
595 5RO 0.8688
596 2GS 0.8688
597 GVH 0.8687
598 4JP 0.8685
599 5NE 0.8683
600 4XR 0.8683
601 44W 0.8682
602 BZI 0.8682
603 BZF 0.8682
604 PAF 0.8681
605 3GQ 0.8681
606 G12 0.8680
607 DEN 0.8680
608 5H1 0.8678
609 14O 0.8675
610 GZL 0.8674
611 ES9 0.8674
612 11S 0.8672
613 LZM 0.8671
614 0R1 0.8671
615 JU2 0.8671
616 2HQ 0.8669
617 MXX 0.8668
618 DEE 0.8667
619 JTH 0.8665
620 40O 0.8665
621 QAT 0.8664
622 3C2 0.8664
623 IDH 0.8663
624 MPI 0.8661
625 KPL 0.8659
626 XAZ 0.8655
627 2FQ 0.8653
628 FPY 0.8652
629 M2K 0.8650
630 5JQ 0.8650
631 FK1 0.8650
632 CAQ 0.8647
633 SXS 0.8642
634 BRV 0.8642
635 MVN 0.8640
636 E7R 0.8638
637 JZ9 0.8637
638 3C1 0.8637
639 H4N 0.8634
640 3SK 0.8633
641 2A9 0.8631
642 QAS 0.8630
643 4XV 0.8630
644 OTW 0.8630
645 0FO 0.8629
646 FGZ 0.8627
647 2A7 0.8627
648 QX4 0.8626
649 YQA 0.8625
650 QSH 0.8623
651 HA7 0.8622
652 XXP 0.8620
653 IBM 0.8619
654 IPB 0.8616
655 5MB 0.8613
656 AUD 0.8610
657 ICO 0.8609
658 I6G 0.8605
659 5MI 0.8604
660 SYV 0.8602
661 F60 0.8601
662 5JL 0.8600
663 BHO 0.8600
664 2K4 0.8589
665 SF9 0.8587
666 270 0.8585
667 7WR 0.8582
668 5OB 0.8580
669 MM2 0.8580
670 ABV 0.8577
671 R8A 0.8573
672 AX7 0.8572
673 0R0 0.8571
674 F12 0.8569
675 286 0.8560
676 SKM 0.8558
677 EYK 0.8554
678 OXQ 0.8553
679 MWP 0.8552
680 23J 0.8551
681 XM0 0.8540
682 P9P 0.8538
683 8WT 0.8536
684 ZZ3 0.8534
685 DHB 0.8526
686 4JQ 0.8526
687 UFO 0.8520
688 2LY 0.8518
689 Z5P 0.8513
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 : 1QRD; 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: 1qrd.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QRD; 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: 2) in the query (biounit: 1qrd.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QRD; Ligand: DQN; 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: 1qrd.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1QRD; Ligand: DQN; 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: 1qrd.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1QRD; 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: 5) in the query (biounit: 1qrd.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1QRD; Ligand: DQN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1qrd.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1QRD; 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: 7) in the query (biounit: 1qrd.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1QRD; Ligand: DQN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1qrd.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1QRD; Ligand: DQN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1qrd.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1QRD; Ligand: DQN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1qrd.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1QRD; 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: 11) in the query (biounit: 1qrd.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1QRD; 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: 12) in the query (biounit: 1qrd.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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