Receptor
PDB id Resolution Class Description Source Keywords
4KZQ 2.25 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH 4' -H FLAVONE HOMO SAPIENS PROTEIN-LIGAND COMPLEX DIPHTHERIA TOXIN LIKE FOLD TRANSFERRIBOSYLATION TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF TANKYRASE INHIBITING FLAVONES WITH INC POTENCY AND ISOENZYME SELECTIVITY. J.MED.CHEM. V. 56 7880 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DFL A:1201;
B:1201;
 Valid;
Valid;
 none;
none;
 submit data
240.254 C15 H12 O3 c1ccc...
SO4 A:1203;
B:1203;
A:1204;
B:1204;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ZN B:1202;
A:1202;
 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
5NWD 1.45 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF TNKS2 IN COMPLEX WITH 2-[4-(DIETHYLAMIN 3,4-DIHYDROQUINAZOLIN-4-ONE HOMO SAPIENS TANKYRASE INHIBITOR ARTD6 PARP5B ADP-RIBOSYLTRANSFERASETRANSFERASE
Ref.: 2-PHENYLQUINAZOLINONES AS DUAL-ACTIVITY TANKYRASE-K INHIBITORS. SCI REP V. 8 1680 2018
Members (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4L10 - A63 C16 H12 O3 COc1ccc(cc....
2 5NSP ic50 = 0.34 uM 97E C26 H15 Cl N8 O c1ccc(c(c1....
3 5NWC ic50 = 700 nM 9CE C14 H11 N3 O c1ccc(c(c1....
4 4L33 - F70 C18 H11 N O4 c1ccc2c(c1....
5 4UI4 ic50 = 45 nM RJN C23 H19 N3 O3 c1ccc(cc1)....
6 5NWB ic50 = 16 nM 9C5 C17 H17 N3 O2 CN(CCO)c1c....
7 5NVC ic50 = 650 nM 9AN C14 H10 N2 O2 c1ccc2c(c1....
8 4KZQ - DFL C15 H12 O3 c1ccc2c(c1....
9 4L2K - 1V8 C16 H10 O4 c1ccc2c(c1....
10 5NT0 ic50 = 280 nM 97H C14 H11 N3 O c1ccc2c(c1....
11 4UI6 ic50 = 87 nM ECZ C16 H11 F3 N2 O2 COc1cccc2c....
12 4UI8 ic50 = 25 nM IY5 C15 H9 F3 N2 O2 c1cc2c(c(c....
13 4L0V - 1V1 C15 H9 Cl O2 c1ccc2c(c1....
14 4L31 - F08 C17 H12 O4 COC(=O)c1c....
15 5NVH ic50 = 15 nM 9B2 C19 H19 N3 O c1ccc2c(c1....
16 4L2F - 1V3 C15 H9 Cl O2 c1ccc(cc1)....
17 4UI3 ic50 = 133 nM 06R C15 H9 F3 N2 O c1ccc2c(c1....
18 4KZU - A73 C15 H9 Br O2 c1ccc2c(c1....
19 4UVP - NGJ C11 H12 N2 O CCC1=Cc2c(....
20 5ADS ic50 = 2.15 uM QNS C25 H25 Cl N2 O5 COc1ccc(cc....
21 5NVF ic50 = 16 nM 9AW C19 H13 N3 O c1ccc2c(c1....
22 5ADR ic50 = 2.3 uM QS5 C26 H28 N2 O5 Cc1ccc(o1)....
23 5NWG ic50 = 660 nM 9CB C17 H16 Cl N3 O2 CN(CCO)c1c....
24 4L09 - 1UR C16 H10 O4 c1ccc2c(c1....
25 4L34 - 1VG C16 H10 N4 O2 c1ccc2c(c1....
26 4L0S - 1UZ C16 H9 N O2 c1ccc2c(c1....
27 5NSX ic50 = 400 nM 97K C15 H10 N4 O c1ccc2c(c1....
28 4UI5 ic50 = 167 nM BJ4 C16 H14 N2 O2 Cc1ccc(cc1....
29 5ADQ ic50 = 2.01 uM A95 C25 H26 N2 O5 COc1ccc(cc....
30 5NT4 ic50 = 17 nM 97Z C18 H17 N3 O2 c1ccc2c(c1....
31 4UI7 ic50 = 44 nM VT3 C15 H12 N2 O2 Cc1ccc(cc1....
32 5NWD ic50 = 10 nM 9C8 C18 H19 N3 O CCN(CC)c1c....
33 4L0T ic50 = 140 nM 1V0 C15 H9 N O4 c1ccc2c(c1....
34 5ADT ic50 = 2.23 uM 1TC C25 H26 Cl N3 O5 Cc1ncc(o1)....
35 5NXE - 9D5 C17 H19 N3 O2 CN(CCO)c1c....
36 4L0I - 1UW C18 H14 O4 CCOC(=O)c1....
37 4L0B - 1UT C17 H15 N O2 CN(C)c1ccc....
38 4L32 - 1VF C21 H20 N2 O3 CN1CCN(CC1....
39 5NVE ic50 = 35 nM 9AQ C16 H14 N2 O2 CCOc1ccc(c....
40 4L2G - 1V4 C15 H9 F O2 c1ccc(cc1)....
41 4KZL - 20D C15 H9 F O2 c1ccc2c(c1....
70% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4L10 - A63 C16 H12 O3 COc1ccc(cc....
2 5NSP ic50 = 0.34 uM 97E C26 H15 Cl N8 O c1ccc(c(c1....
3 5NWC ic50 = 700 nM 9CE C14 H11 N3 O c1ccc(c(c1....
4 4L33 - F70 C18 H11 N O4 c1ccc2c(c1....
5 4UI4 ic50 = 45 nM RJN C23 H19 N3 O3 c1ccc(cc1)....
6 5NWB ic50 = 16 nM 9C5 C17 H17 N3 O2 CN(CCO)c1c....
7 5NVC ic50 = 650 nM 9AN C14 H10 N2 O2 c1ccc2c(c1....
8 4KZQ - DFL C15 H12 O3 c1ccc2c(c1....
9 4L2K - 1V8 C16 H10 O4 c1ccc2c(c1....
10 5NT0 ic50 = 280 nM 97H C14 H11 N3 O c1ccc2c(c1....
11 4UI6 ic50 = 87 nM ECZ C16 H11 F3 N2 O2 COc1cccc2c....
12 4UI8 ic50 = 25 nM IY5 C15 H9 F3 N2 O2 c1cc2c(c(c....
13 4L0V - 1V1 C15 H9 Cl O2 c1ccc2c(c1....
14 4L31 - F08 C17 H12 O4 COC(=O)c1c....
15 5NVH ic50 = 15 nM 9B2 C19 H19 N3 O c1ccc2c(c1....
16 4L2F - 1V3 C15 H9 Cl O2 c1ccc(cc1)....
17 4UI3 ic50 = 133 nM 06R C15 H9 F3 N2 O c1ccc2c(c1....
18 4KZU - A73 C15 H9 Br O2 c1ccc2c(c1....
19 4UVP - NGJ C11 H12 N2 O CCC1=Cc2c(....
20 5ADS ic50 = 2.15 uM QNS C25 H25 Cl N2 O5 COc1ccc(cc....
21 5NVF ic50 = 16 nM 9AW C19 H13 N3 O c1ccc2c(c1....
22 5ADR ic50 = 2.3 uM QS5 C26 H28 N2 O5 Cc1ccc(o1)....
23 5NWG ic50 = 660 nM 9CB C17 H16 Cl N3 O2 CN(CCO)c1c....
24 4L09 - 1UR C16 H10 O4 c1ccc2c(c1....
25 4L34 - 1VG C16 H10 N4 O2 c1ccc2c(c1....
26 4L0S - 1UZ C16 H9 N O2 c1ccc2c(c1....
27 5NSX ic50 = 400 nM 97K C15 H10 N4 O c1ccc2c(c1....
28 4UI5 ic50 = 167 nM BJ4 C16 H14 N2 O2 Cc1ccc(cc1....
29 5ADQ ic50 = 2.01 uM A95 C25 H26 N2 O5 COc1ccc(cc....
30 5NT4 ic50 = 17 nM 97Z C18 H17 N3 O2 c1ccc2c(c1....
31 4UI7 ic50 = 44 nM VT3 C15 H12 N2 O2 Cc1ccc(cc1....
32 5NWD ic50 = 10 nM 9C8 C18 H19 N3 O CCN(CC)c1c....
33 4L0T ic50 = 140 nM 1V0 C15 H9 N O4 c1ccc2c(c1....
34 5ADT ic50 = 2.23 uM 1TC C25 H26 Cl N3 O5 Cc1ncc(o1)....
35 5NXE - 9D5 C17 H19 N3 O2 CN(CCO)c1c....
36 4L0I - 1UW C18 H14 O4 CCOC(=O)c1....
37 4L0B - 1UT C17 H15 N O2 CN(C)c1ccc....
38 4L32 - 1VF C21 H20 N2 O3 CN1CCN(CC1....
39 5NVE ic50 = 35 nM 9AQ C16 H14 N2 O2 CCOc1ccc(c....
40 4L2G - 1V4 C15 H9 F O2 c1ccc(cc1)....
41 4KZL - 20D C15 H9 F O2 c1ccc2c(c1....
42 5ZQP ic50 = 18.3 nM 9H3 C20 H21 N3 O3 c1ccc2c(c1....
43 5ZQQ - 9H6 C21 H24 N4 O2 CN1c2ccccc....
44 5ZQO ic50 = 19.4 nM 9GX C19 H24 N4 O2 COc1ccccc1....
45 6A84 ic50 = 5.3 nM 9SU C20 H23 Cl N4 O c1cc2c(c(c....
46 5ZQR ic50 = 10.6 nM 9H9 C22 H26 F2 N4 O2 c1c(cc(c2c....
47 6KRO ic50 = 39.2 nM DU9 C27 H35 F N6 O3 C[C@@H]1CN....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4L10 - A63 C16 H12 O3 COc1ccc(cc....
2 5NSP ic50 = 0.34 uM 97E C26 H15 Cl N8 O c1ccc(c(c1....
3 5NWC ic50 = 700 nM 9CE C14 H11 N3 O c1ccc(c(c1....
4 4L33 - F70 C18 H11 N O4 c1ccc2c(c1....
5 4UI4 ic50 = 45 nM RJN C23 H19 N3 O3 c1ccc(cc1)....
6 5NWB ic50 = 16 nM 9C5 C17 H17 N3 O2 CN(CCO)c1c....
7 5NVC ic50 = 650 nM 9AN C14 H10 N2 O2 c1ccc2c(c1....
8 4KZQ - DFL C15 H12 O3 c1ccc2c(c1....
9 4L2K - 1V8 C16 H10 O4 c1ccc2c(c1....
10 5NT0 ic50 = 280 nM 97H C14 H11 N3 O c1ccc2c(c1....
11 4UI6 ic50 = 87 nM ECZ C16 H11 F3 N2 O2 COc1cccc2c....
12 4UI8 ic50 = 25 nM IY5 C15 H9 F3 N2 O2 c1cc2c(c(c....
13 4L0V - 1V1 C15 H9 Cl O2 c1ccc2c(c1....
14 4L31 - F08 C17 H12 O4 COC(=O)c1c....
15 5NVH ic50 = 15 nM 9B2 C19 H19 N3 O c1ccc2c(c1....
16 4L2F - 1V3 C15 H9 Cl O2 c1ccc(cc1)....
17 4UI3 ic50 = 133 nM 06R C15 H9 F3 N2 O c1ccc2c(c1....
18 4KZU - A73 C15 H9 Br O2 c1ccc2c(c1....
19 4UVP - NGJ C11 H12 N2 O CCC1=Cc2c(....
20 5ADS ic50 = 2.15 uM QNS C25 H25 Cl N2 O5 COc1ccc(cc....
21 5NVF ic50 = 16 nM 9AW C19 H13 N3 O c1ccc2c(c1....
22 5ADR ic50 = 2.3 uM QS5 C26 H28 N2 O5 Cc1ccc(o1)....
23 5NWG ic50 = 660 nM 9CB C17 H16 Cl N3 O2 CN(CCO)c1c....
24 4L09 - 1UR C16 H10 O4 c1ccc2c(c1....
25 4L34 - 1VG C16 H10 N4 O2 c1ccc2c(c1....
26 4L0S - 1UZ C16 H9 N O2 c1ccc2c(c1....
27 5NSX ic50 = 400 nM 97K C15 H10 N4 O c1ccc2c(c1....
28 4UI5 ic50 = 167 nM BJ4 C16 H14 N2 O2 Cc1ccc(cc1....
29 5ADQ ic50 = 2.01 uM A95 C25 H26 N2 O5 COc1ccc(cc....
30 5NT4 ic50 = 17 nM 97Z C18 H17 N3 O2 c1ccc2c(c1....
31 4UI7 ic50 = 44 nM VT3 C15 H12 N2 O2 Cc1ccc(cc1....
32 5NWD ic50 = 10 nM 9C8 C18 H19 N3 O CCN(CC)c1c....
33 4L0T ic50 = 140 nM 1V0 C15 H9 N O4 c1ccc2c(c1....
34 5ADT ic50 = 2.23 uM 1TC C25 H26 Cl N3 O5 Cc1ncc(o1)....
35 5NXE - 9D5 C17 H19 N3 O2 CN(CCO)c1c....
36 4L0I - 1UW C18 H14 O4 CCOC(=O)c1....
37 4L0B - 1UT C17 H15 N O2 CN(C)c1ccc....
38 4L32 - 1VF C21 H20 N2 O3 CN1CCN(CC1....
39 5NVE ic50 = 35 nM 9AQ C16 H14 N2 O2 CCOc1ccc(c....
40 4L2G - 1V4 C15 H9 F O2 c1ccc(cc1)....
41 4KZL - 20D C15 H9 F O2 c1ccc2c(c1....
42 5ZQP ic50 = 18.3 nM 9H3 C20 H21 N3 O3 c1ccc2c(c1....
43 5ZQQ - 9H6 C21 H24 N4 O2 CN1c2ccccc....
44 5ZQO ic50 = 19.4 nM 9GX C19 H24 N4 O2 COc1ccccc1....
45 6A84 ic50 = 5.3 nM 9SU C20 H23 Cl N4 O c1cc2c(c(c....
46 5ZQR ic50 = 10.6 nM 9H9 C22 H26 F2 N4 O2 c1c(cc(c2c....
47 6KRO ic50 = 39.2 nM DU9 C27 H35 F N6 O3 C[C@@H]1CN....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DFL; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 DFL 1 1
2 DFV 0.618182 0.923077
3 DDC 0.491803 0.96
4 CWE 0.460317 0.857143
5 NAR 0.460317 0.857143
6 SAK 0.426471 0.8
7 6QT 0.402985 0.923077
Similar Ligands (3D)
Ligand no: 1; Ligand: DFL; Similar ligands found: 919
No: Ligand Similarity coefficient
1 SZ5 1.0000
2 20D 1.0000
3 3F4 1.0000
4 RGK 1.0000
5 NKI 1.0000
6 1V1 0.9980
7 25F 0.9957
8 A73 0.9941
9 WLH 0.9878
10 VT3 0.9837
11 27F 0.9834
12 A63 0.9817
13 08C 0.9812
14 CDJ 0.9802
15 1UZ 0.9799
16 M3W 0.9790
17 F40 0.9779
18 H2W 0.9765
19 E9L 0.9761
20 W8L 0.9760
21 1V4 0.9752
22 7L4 0.9722
23 1V3 0.9721
24 5WW 0.9698
25 91F 0.9697
26 P4L 0.9695
27 9CE 0.9686
28 5NN 0.9677
29 97K 0.9658
30 6BK 0.9650
31 O53 0.9649
32 AGI 0.9632
33 1V0 0.9630
34 HH6 0.9598
35 6DQ 0.9594
36 IDZ 0.9583
37 C4E 0.9583
38 LI7 0.9579
39 UAY 0.9579
40 1UR 0.9564
41 3GX 0.9559
42 BJ4 0.9553
43 A64 0.9549
44 3WK 0.9535
45 1V8 0.9526
46 LR2 0.9513
47 SGW 0.9495
48 2GQ 0.9495
49 1UT 0.9494
50 3D8 0.9493
51 9JT 0.9492
52 1HP 0.9488
53 O9T 0.9487
54 O9Z 0.9484
55 8M5 0.9481
56 DXK 0.9480
57 F36 0.9474
58 272 0.9471
59 NU3 0.9470
60 Q0K 0.9435
61 LU2 0.9425
62 YE7 0.9420
63 3WL 0.9420
64 TGW 0.9420
65 JSX 0.9419
66 L2K 0.9417
67 KMP 0.9415
68 AUY 0.9415
69 PIQ 0.9414
70 1Q4 0.9402
71 6JM 0.9401
72 F18 0.9398
73 7LU 0.9393
74 FSE 0.9390
75 ZEA 0.9390
76 ZAR 0.9389
77 CX6 0.9386
78 D64 0.9386
79 2WU 0.9383
80 NIF 0.9375
81 3JC 0.9374
82 H75 0.9365
83 S98 0.9364
84 4ZF 0.9360
85 VBC 0.9355
86 0OK 0.9354
87 HRD 0.9354
88 7G2 0.9349
89 3WN 0.9348
90 3WO 0.9348
91 S1D 0.9346
92 5E5 0.9342
93 JFS 0.9340
94 AVX 0.9339
95 338 0.9335
96 EMU 0.9334
97 U13 0.9333
98 2QU 0.9326
99 ZRL 0.9322
100 G2V 0.9311
101 GN5 0.9307
102 1R5 0.9303
103 29F 0.9302
104 0NJ 0.9300
105 4K2 0.9297
106 A9B 0.9290
107 MJW 0.9288
108 5B2 0.9288
109 0UL 0.9287
110 QUE 0.9282
111 LI4 0.9281
112 5ZM 0.9280
113 MR4 0.9279
114 06R 0.9279
115 4GU 0.9279
116 2D2 0.9278
117 O9Q 0.9276
118 MHB 0.9272
119 57D 0.9270
120 2JX 0.9267
121 IMK 0.9265
122 0DF 0.9263
123 28A 0.9262
124 1FL 0.9259
125 JCZ 0.9258
126 FCW 0.9258
127 6TJ 0.9256
128 IDD 0.9253
129 0SY 0.9251
130 AP6 0.9251
131 L3L 0.9248
132 NYJ 0.9248
133 MBP 0.9246
134 31F 0.9246
135 6JO 0.9246
136 2P3 0.9244
137 CUE 0.9244
138 WDW 0.9242
139 MRE 0.9242
140 A5H 0.9238
141 3TI 0.9237
142 833 0.9237
143 2QV 0.9234
144 4AU 0.9233
145 3WJ 0.9231
146 U4J 0.9231
147 A6W 0.9227
148 ZRK 0.9225
149 4NR 0.9225
150 TH1 0.9224
151 SQM 0.9224
152 OPA 0.9222
153 5P3 0.9221
154 6JP 0.9218
155 IY5 0.9217
156 AOY 0.9216
157 B7H 0.9216
158 IPJ 0.9216
159 BUX 0.9215
160 FYR 0.9214
161 5V7 0.9214
162 196 0.9213
163 5C1 0.9211
164 697 0.9208
165 78Y 0.9208
166 W2E 0.9207
167 1FE 0.9204
168 47V 0.9203
169 IKY 0.9203
170 JF8 0.9202
171 5DE 0.9200
172 MRI 0.9198
173 NAL 0.9198
174 LIG 0.9196
175 F08 0.9193
176 XAV 0.9192
177 3CA 0.9192
178 QUG 0.9191
179 9OF 0.9190
180 LVY 0.9190
181 4FF 0.9188
182 QC1 0.9185
183 0K7 0.9185
184 5E1 0.9183
185 H35 0.9181
186 7EH 0.9180
187 OTA 0.9180
188 H32 0.9177
189 TRP 0.9176
190 4Z1 0.9175
191 LUM 0.9174
192 DQH 0.9174
193 FY8 0.9172
194 KWB 0.9171
195 AJ6 0.9170
196 YE6 0.9169
197 GEN 0.9167
198 801 0.9166
199 S60 0.9166
200 NRA 0.9164
201 BMZ 0.9163
202 5FL 0.9160
203 BGU 0.9160
204 3SU 0.9159
205 IQZ 0.9159
206 BBY 0.9159
207 HUL 0.9157
208 C0W 0.9157
209 5TU 0.9157
210 CMG 0.9156
211 6XC 0.9154
212 MR5 0.9153
213 UN4 0.9153
214 EES 0.9151
215 2J1 0.9151
216 LWS 0.9150
217 Q2S 0.9150
218 EF2 0.9148
219 1XS 0.9147
220 2ZI 0.9146
221 LL1 0.9146
222 802 0.9145
223 IQW 0.9143
224 AVA 0.9141
225 5VU 0.9141
226 XYP XYP 0.9140
227 8OB 0.9139
228 II4 0.9138
229 Q5M 0.9138
230 FHI 0.9137
231 18E 0.9137
232 5ER 0.9136
233 NW1 0.9134
234 H4B 0.9133
235 EAT 0.9133
236 XIF XYP 0.9131
237 XYP XIF 0.9131
238 ARJ 0.9130
239 WG8 0.9130
240 WST 0.9127
241 5WT 0.9126
242 6H2 0.9126
243 40N 0.9125
244 K7H 0.9124
245 120 0.9120
246 7M2 0.9118
247 62D 0.9115
248 TVZ 0.9115
249 CR4 0.9114
250 1AJ 0.9112
251 4L2 0.9112
252 SNJ 0.9111
253 R4E 0.9109
254 AXX 0.9102
255 MR6 0.9102
256 COL 0.9102
257 A9E 0.9102
258 8HH 0.9098
259 TYP 0.9095
260 2UV 0.9095
261 5S9 0.9095
262 ESR 0.9094
263 BRY 0.9094
264 J8D 0.9093
265 Q92 0.9093
266 5F8 0.9093
267 UN9 0.9091
268 NEU 0.9090
269 I0G 0.9089
270 FL8 0.9089
271 XYP XDN 0.9088
272 XDN XYP 0.9088
273 4CN 0.9086
274 PRL 0.9085
275 1SF 0.9084
276 NE2 0.9083
277 124 0.9082
278 53X 0.9081
279 0H5 0.9081
280 397 0.9080
281 ZSP 0.9079
282 7G0 0.9079
283 EDZ 0.9078
284 TVC 0.9077
285 CBE 0.9077
286 U14 0.9074
287 MYC 0.9074
288 EST 0.9073
289 JRO 0.9070
290 RF2 0.9070
291 WA2 0.9069
292 ZIP 0.9068
293 3AK 0.9066
294 GJB 0.9065
295 5E2 0.9063
296 DH2 0.9063
297 AV6 0.9062
298 5TO 0.9060
299 B4L 0.9060
300 6T5 0.9060
301 FNT 0.9058
302 122 0.9057
303 DTR 0.9057
304 P83 0.9056
305 6VW 0.9055
306 GAT 0.9054
307 T5J 0.9053
308 6B5 0.9053
309 XYS XYP 0.9052
310 57U 0.9046
311 553 0.9045
312 6C8 0.9045
313 BBP 0.9044
314 PJK 0.9044
315 RKY 0.9044
316 ZTW 0.9044
317 XYS XYS 0.9043
318 X2M 0.9043
319 NIY 0.9042
320 1DR 0.9040
321 DX2 0.9040
322 HWB 0.9039
323 CC6 0.9038
324 7VF 0.9038
325 041 0.9038
326 5R9 0.9036
327 NVS 0.9036
328 EQU 0.9035
329 LTN 0.9035
330 6GP 0.9034
331 FT6 0.9034
332 HA6 0.9032
333 0LO 0.9032
334 42R 0.9031
335 HWH 0.9030
336 4DE 0.9029
337 ASE 0.9029
338 OSY 0.9029
339 T21 0.9028
340 1EL 0.9027
341 108 0.9027
342 RSV 0.9027
343 MMJ 0.9026
344 F4U 0.9026
345 JNW 0.9025
346 7FC 0.9025
347 38E 0.9021
348 BU7 0.9021
349 0ON 0.9019
350 ERZ 0.9019
351 ADN 0.9018
352 S0D 0.9018
353 68B 0.9018
354 6C5 0.9016
355 BIO 0.9015
356 EV2 0.9015
357 47X 0.9015
358 6FG 0.9014
359 DBE 0.9014
360 Q4G 0.9013
361 TCR 0.9013
362 AJ4 0.9011
363 X2L 0.9009
364 121 0.9009
365 U19 0.9009
366 7EL 0.9009
367 7M5 0.9004
368 6MW 0.9003
369 BVS 0.9003
370 MYU 0.9002
371 GVI 0.9001
372 IQQ 0.9001
373 ECS 0.8998
374 TCL 0.8998
375 XDL XYP 0.8997
376 HRM 0.8996
377 B21 0.8996
378 ZEZ 0.8994
379 XIL 0.8994
380 IK1 0.8994
381 8G6 0.8993
382 NE1 0.8993
383 UN3 0.8992
384 P4T 0.8991
385 5KN 0.8991
386 KXN 0.8990
387 L5D 0.8988
388 H7S 0.8987
389 Y70 0.8987
390 96Z 0.8987
391 HVE 0.8987
392 BHS 0.8987
393 P7V 0.8987
394 DX7 0.8986
395 3Q0 0.8985
396 7FZ 0.8984
397 15Q 0.8983
398 U12 0.8980
399 OLU 0.8979
400 BZM 0.8979
401 RVE 0.8974
402 DNQ 0.8973
403 8UY 0.8972
404 244 0.8972
405 4F8 0.8971
406 IOP 0.8968
407 68C 0.8968
408 KF5 0.8967
409 4UM 0.8966
410 LJ3 0.8964
411 27M 0.8964
412 A05 0.8963
413 NOC 0.8963
414 LZ7 0.8961
415 KLV 0.8960
416 4YE 0.8959
417 2Q0 0.8959
418 PCQ 0.8958
419 5DN 0.8958
420 AZC 0.8958
421 JMG 0.8954
422 39Z 0.8954
423 QME 0.8954
424 IXM 0.8953
425 ITE 0.8952
426 YEX 0.8951
427 IAG 0.8950
428 DX8 0.8950
429 NPZ 0.8950
430 49P 0.8949
431 135 0.8949
432 0FR 0.8948
433 ECZ 0.8947
434 9E3 0.8947
435 17M 0.8946
436 0X2 0.8946
437 4FC 0.8945
438 I0D 0.8945
439 IIH 0.8945
440 9BF 0.8943
441 M3F 0.8943
442 CU8 0.8943
443 H0V 0.8942
444 AKD 0.8941
445 SJR 0.8941
446 0MB 0.8941
447 A45 0.8940
448 CZ0 0.8940
449 4G2 0.8939
450 QS4 0.8938
451 4MP 0.8938
452 SSY 0.8937
453 3G5 0.8936
454 8CC 0.8935
455 AO 0.8932
456 LP8 0.8932
457 KP2 0.8931
458 6FX 0.8930
459 3DE 0.8929
460 SDN 0.8929
461 GB4 0.8927
462 XEV 0.8926
463 QR2 0.8924
464 2UD 0.8922
465 363 0.8919
466 90G 0.8918
467 4HG 0.8918
468 AX1 0.8917
469 J84 0.8916
470 XYP XIM 0.8915
471 CHQ 0.8915
472 L1T 0.8915
473 7G1 0.8915
474 VJJ 0.8911
475 3C3 0.8911
476 5WN 0.8908
477 5WK 0.8907
478 1YL 0.8907
479 IRH 0.8907
480 PZX 0.8906
481 AJG 0.8906
482 5TZ 0.8906
483 VM1 0.8906
484 V2Z 0.8905
485 P9I 0.8905
486 0OP 0.8903
487 XYS AZI XYS 0.8903
488 JTF 0.8902
489 EVO 0.8900
490 28B 0.8900
491 LC1 0.8899
492 6C4 0.8898
493 FCD 0.8898
494 4Z9 0.8898
495 P2L 0.8898
496 CG 0.8897
497 TID 0.8897
498 5OR 0.8894
499 JF5 0.8894
500 PUE 0.8893
501 LFN 0.8893
502 FHV 0.8892
503 J8G 0.8891
504 3IL 0.8891
505 MQR 0.8889
506 5WS 0.8888
507 8BD 0.8888
508 FBC 0.8887
509 M83 0.8887
510 3VQ 0.8886
511 J3Z 0.8884
512 CX4 0.8883
513 OA4 0.8882
514 BMC 0.8882
515 LJ1 0.8881
516 5I5 0.8880
517 4YF 0.8880
518 KLE 0.8879
519 STL 0.8879
520 ZZA 0.8879
521 MXD 0.8878
522 X8E 0.8877
523 5XL 0.8877
524 C93 0.8876
525 ZHA 0.8876
526 AUV 0.8876
527 XYP XYS 0.8876
528 XZ1 0.8876
529 72H 0.8875
530 BXZ 0.8872
531 123 0.8872
532 EGT 0.8871
533 1ZC 0.8871
534 789 0.8871
535 WVV 0.8871
536 AJD 0.8870
537 245 0.8870
538 M4N 0.8870
539 5H6 0.8869
540 D26 0.8869
541 MBT 0.8869
542 LLG 0.8869
543 4EU 0.8869
544 6J5 0.8868
545 E6Q 0.8868
546 GJG 0.8867
547 AYS 0.8865
548 1UW 0.8864
549 JVD 0.8863
550 YIP 0.8863
551 JKN 0.8862
552 8OE 0.8860
553 25K 0.8859
554 0DJ 0.8859
555 OUA 0.8858
556 D25 0.8858
557 CC5 0.8858
558 6ZE 0.8857
559 HPX 0.8857
560 YZ9 0.8856
561 5P7 0.8856
562 6C9 0.8856
563 MQ1 0.8855
564 K48 0.8855
565 6WU 0.8853
566 S45 0.8852
567 22L 0.8851
568 TMG 0.8850
569 51Y 0.8850
570 G14 0.8850
571 22T 0.8850
572 DMB 0.8848
573 XCG 0.8846
574 52F 0.8846
575 5EZ 0.8846
576 20N 0.8846
577 WF4 0.8845
578 BZC 0.8845
579 ELH 0.8844
580 5F5 0.8841
581 PQM 0.8841
582 CX5 0.8841
583 TES 0.8840
584 M16 0.8839
585 KU1 0.8839
586 CLI 0.8839
587 ESE 0.8838
588 6EL 0.8838
589 2PK 0.8838
590 AQN 0.8836
591 DHT 0.8836
592 RNP 0.8835
593 6DE 0.8835
594 92O 0.8833
595 J47 0.8833
596 L03 0.8832
597 4P9 0.8831
598 MXM 0.8831
599 HBI 0.8830
600 H2B 0.8830
601 907 0.8829
602 X8I 0.8829
603 VIB 0.8829
604 LJ2 0.8828
605 CFK 0.8828
606 GNV 0.8827
607 ESL 0.8826
608 G3P IDM 0.8826
609 ID8 0.8826
610 Q8G 0.8825
611 KOM 0.8825
612 9C8 0.8824
613 FZB 0.8824
614 Z3R 0.8824
615 Q7U 0.8823
616 NFZ 0.8823
617 MUR 0.8823
618 E3U 0.8822
619 334 0.8822
620 6P3 0.8821
621 D4O 0.8819
622 TJM 0.8818
623 4GP 0.8818
624 J38 0.8817
625 SU9 0.8815
626 WCU 0.8814
627 CNI 0.8814
628 5WM 0.8813
629 BNY 0.8812
630 2OX 0.8811
631 1EB 0.8811
632 FC2 0.8811
633 JO5 0.8810
634 DL6 0.8810
635 MT6 0.8809
636 RCV 0.8808
637 5CJ 0.8808
638 JTA 0.8808
639 555 0.8808
640 797 0.8807
641 OUG 0.8807
642 83D 0.8806
643 JFZ 0.8805
644 TCC 0.8805
645 AH6 0.8804
646 FF2 0.8804
647 FT3 0.8804
648 78P 0.8803
649 AD6 0.8803
650 A51 0.8801
651 BIK 0.8801
652 RFZ 0.8800
653 A7K 0.8800
654 4AB 0.8799
655 5YA 0.8798
656 ALH 0.8798
657 TQ3 0.8797
658 9XZ 0.8796
659 2PV 0.8796
660 SFY 0.8796
661 STV 0.8795
662 8D6 0.8795
663 5M2 0.8794
664 QIV 0.8792
665 P93 0.8792
666 CUH 0.8790
667 AOM 0.8789
668 26C 0.8788
669 0XR 0.8787
670 4QX 0.8786
671 EY2 0.8784
672 BXS 0.8782
673 J45 0.8782
674 X48 0.8780
675 3Y7 0.8778
676 FZ0 0.8778
677 2PW 0.8776
678 G6P 0.8774
679 MKN 0.8774
680 MZR 0.8771
681 C3P 0.8771
682 3G1 0.8771
683 5CQ 0.8771
684 R18 0.8771
685 HFT 0.8770
686 B2E 0.8767
687 MHD GAL 0.8765
688 TPM 0.8765
689 Y3J 0.8765
690 5AD 0.8763
691 1ER 0.8763
692 NDD 0.8763
693 7VY 0.8762
694 1Q1 0.8760
695 5F1 0.8760
696 LZ5 0.8759
697 KWV 0.8758
698 SNP 0.8758
699 NXB 0.8757
700 WA1 0.8757
701 ML1 0.8757
702 1G9 0.8754
703 HCC 0.8753
704 5XM 0.8753
705 JPQ 0.8753
706 M78 0.8752
707 BGK 0.8751
708 Q8D 0.8751
709 6FB 0.8751
710 BP7 0.8751
711 6J3 0.8751
712 IMH 0.8750
713 58N 0.8750
714 FER 0.8750
715 B61 0.8748
716 NBZ GLA 0.8747
717 FQX 0.8747
718 94X 0.8747
719 2LT 0.8746
720 BIE 0.8745
721 MTA 0.8745
722 M77 0.8745
723 NQ8 0.8744
724 FX5 0.8743
725 Y3L 0.8743
726 34L 0.8742
727 EI1 0.8741
728 GNG 0.8739
729 NTF 0.8739
730 DE7 0.8735
731 SNV 0.8735
732 21E 0.8734
733 7FU 0.8733
734 KN1 0.8731
735 8SK 0.8731
736 D9Z 0.8730
737 90M 0.8730
738 AUE 0.8729
739 5SD 0.8727
740 CJZ 0.8725
741 LOT 0.8725
742 HNT 0.8725
743 LJ5 0.8723
744 M9N 0.8723
745 WV7 0.8722
746 CHV 0.8722
747 6WL 0.8719
748 NXY 0.8719
749 531 0.8719
750 ESZ 0.8718
751 5CK 0.8718
752 S1C 0.8718
753 ESJ 0.8717
754 6EN 0.8716
755 Q9T 0.8716
756 ICD 0.8716
757 72G 0.8715
758 36K 0.8712
759 9VZ 0.8712
760 AUG 0.8712
761 FB4 0.8712
762 NQ7 0.8711
763 H52 0.8711
764 4HB 0.8711
765 E3X 0.8710
766 A8D 0.8709
767 SLX 0.8708
768 RDM 0.8708
769 BHF 0.8708
770 BL7 0.8708
771 IW1 0.8707
772 T07 0.8704
773 1OT 0.8704
774 MFR 0.8704
775 LR8 0.8703
776 5FD 0.8702
777 GWD 0.8702
778 2AN 0.8702
779 AOX 0.8702
780 32F 0.8701
781 FT2 0.8700
782 LMZ 0.8697
783 LEL 0.8697
784 J27 0.8695
785 TQ1 0.8695
786 AMR 0.8694
787 B23 0.8694
788 2XY 0.8694
789 VUP 0.8693
790 19E 0.8692
791 TLF 0.8691
792 TI7 0.8690
793 F5C 0.8690
794 DEH 0.8689
795 IRG 0.8688
796 344 0.8687
797 YUG 0.8685
798 0SX 0.8684
799 Y27 0.8683
800 BSU 0.8682
801 LZ4 0.8682
802 3QI 0.8681
803 AJ1 0.8679
804 DRG 0.8679
805 PNW 0.8678
806 2HI 0.8677
807 UL1 0.8676
808 9UL 0.8676
809 69W 0.8675
810 A5Q 0.8673
811 FZM 0.8671
812 MIL 0.8671
813 6F3 0.8669
814 TFX 0.8668
815 DCN 0.8668
816 XI7 0.8667
817 UVC 0.8664
818 SXX 0.8662
819 ANC 0.8662
820 EWG 0.8657
821 F38 0.8656
822 3N0 0.8655
823 GZV 0.8654
824 NFK 0.8653
825 JOB 0.8652
826 KYN 0.8651
827 3D1 0.8651
828 TQ4 0.8649
829 6ZW 0.8649
830 79X 0.8647
831 OJ7 0.8647
832 GNJ 0.8645
833 KLS 0.8644
834 BIT 0.8644
835 A7Q 0.8643
836 JGB 0.8641
837 9TF 0.8640
838 PLP 0.8639
839 RDL 0.8633
840 UX0 0.8633
841 IW2 0.8633
842 DKZ 0.8632
843 K8W 0.8632
844 DTQ 0.8632
845 3C5 0.8631
846 CJB 0.8631
847 M3E 0.8629
848 U7E 0.8627
849 5Z5 0.8627
850 X0T 0.8625
851 JP2 0.8624
852 K75 0.8623
853 3UG 0.8621
854 517 0.8620
855 EMO 0.8618
856 FT1 0.8617
857 113 0.8617
858 Z21 0.8617
859 5TT 0.8616
860 B1J 0.8616
861 AZY 0.8616
862 DA3 0.8615
863 CQW 0.8615
864 LWA 0.8613
865 BG8 0.8613
866 C2M 0.8612
867 GPK 0.8611
868 72E 0.8610
869 LZJ 0.8610
870 U55 0.8607
871 8V8 0.8606
872 PNJ 0.8604
873 3CX 0.8601
874 JWS 0.8600
875 WUB 0.8600
876 BX4 0.8599
877 F1T 0.8598
878 3RH 0.8598
879 6QF 0.8597
880 GB5 0.8593
881 PE2 0.8593
882 WS7 0.8591
883 2FX 0.8590
884 BL4 0.8588
885 FSU 0.8588
886 EBB 0.8587
887 E1K 0.8587
888 OCZ 0.8586
889 HMO 0.8586
890 KW7 0.8586
891 BVB 0.8585
892 536 0.8583
893 5TY 0.8580
894 MJ5 0.8580
895 DKX 0.8577
896 M5H 0.8576
897 PNX 0.8576
898 54E 0.8575
899 EAJ 0.8573
900 J1K 0.8571
901 IA2 0.8568
902 DHC 0.8567
903 U3P 0.8566
904 2L2 0.8565
905 2M7 0.8565
906 6PB 0.8565
907 CUQ 0.8561
908 N91 0.8556
909 1QV 0.8556
910 VGS 0.8556
911 5E4 0.8554
912 0FS 0.8552
913 TCT 0.8550
914 OJD 0.8550
915 5CE 0.8547
916 AV7 0.8543
917 ML2 0.8528
918 Z57 0.8516
919 3VS 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5NWD; Ligand: 9C8; 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: 5nwd.bio2) has 76 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5NWD; Ligand: 9C8; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 5nwd.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 6W65 T9D 36.7347
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