Receptor
PDB id Resolution Class Description Source Keywords
5UOX 2.5 Å EC: 2.7.11.25 STRUCTURE-BASED DESIGN OF ASK1 INHIBITORS AS POTENTIAL FIRST AGENTS FOR HEART FAILURE HOMO SAPIENS TRANSFERASE METAL-BINDING APOPTOSIS TRANSFERASE-TRANSFERAINHIBITOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF ASK1 INHIBITORS AS POTENT AGENTS FOR HEART FAILURE. ACS MED CHEM LETT V. 8 316 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8GY A:1000;
B:1000;
Valid;
Valid;
none;
none;
ic50 = 5.012 nM
393.439 C21 H23 N5 O3 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UOX 2.5 Å EC: 2.7.11.25 STRUCTURE-BASED DESIGN OF ASK1 INHIBITORS AS POTENTIAL FIRST AGENTS FOR HEART FAILURE HOMO SAPIENS TRANSFERASE METAL-BINDING APOPTOSIS TRANSFERASE-TRANSFERAINHIBITOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF ASK1 INHIBITORS AS POTENT AGENTS FOR HEART FAILURE. ACS MED CHEM LETT V. 8 316 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5V24 ic50 = 400 nM 8V7 C14 H14 N6 O S CC(C)n1cnn....
2 5UOX ic50 = 5.012 nM 8GY C21 H23 N5 O3 C[C@H](CO)....
3 2CLQ - STU C28 H26 N4 O3 C[C@@]12[C....
4 4BIE ic50 = 0.79 uM IE6 C14 H16 N4 O2 S2 Cc1cc2c(cc....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5V24 ic50 = 400 nM 8V7 C14 H14 N6 O S CC(C)n1cnn....
2 5UOX ic50 = 5.012 nM 8GY C21 H23 N5 O3 C[C@H](CO)....
3 2CLQ - STU C28 H26 N4 O3 C[C@@]12[C....
4 4BIE ic50 = 0.79 uM IE6 C14 H16 N4 O2 S2 Cc1cc2c(cc....
5 4BHN ic50 = 13 nM BH9 C21 H21 N5 O CC(C)(C)c1....
6 4BIB ic50 = 0.63 uM IEO C15 H16 N4 O2 c1cc(c2c(c....
7 4BF2 - STU C28 H26 N4 O3 C[C@@]12[C....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5V24 ic50 = 400 nM 8V7 C14 H14 N6 O S CC(C)n1cnn....
2 5UOX ic50 = 5.012 nM 8GY C21 H23 N5 O3 C[C@H](CO)....
3 2CLQ - STU C28 H26 N4 O3 C[C@@]12[C....
4 4BIE ic50 = 0.79 uM IE6 C14 H16 N4 O2 S2 Cc1cc2c(cc....
5 4BHN ic50 = 13 nM BH9 C21 H21 N5 O CC(C)(C)c1....
6 4BIB ic50 = 0.63 uM IEO C15 H16 N4 O2 c1cc(c2c(c....
7 4BF2 - STU C28 H26 N4 O3 C[C@@]12[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8GY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8GY 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UOX; Ligand: 8GY; Similar sites found: 364
This union binding pocket(no: 1) in the query (biounit: 5uox.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Q7D ANP 0.003056 0.41917 1.47601
2 1TLG GAL 0.01453 0.41909 1.6
3 3TDV GDP 0.000003297 0.55497 1.84502
4 3AKK ADP 0.00008311 0.46754 1.84502
5 5MW8 ATP 0.00001839 0.50733 2.21402
6 3WVR AMP 0.0003115 0.4775 2.21402
7 2V58 LZJ 0.008127 0.41951 2.21402
8 5W2I I3P 0.0003486 0.4557 2.33463
9 5W2I ADP 0.0003486 0.4557 2.33463
10 4OUC 5ID 0.000000105 0.55381 2.52101
11 5K2M ADP 0.0004061 0.4529 2.58303
12 5C1P DAL DAL 0.003997 0.41263 2.58303
13 5C1P ADP 0.0006856 0.41023 2.58303
14 3UDZ ADP 0.00001775 0.493 2.95203
15 1I7L ATP 0.0006299 0.44486 2.95203
16 2IO8 ADP 0.0006853 0.42707 2.95203
17 1IOW PHY 0.004838 0.42011 2.95203
18 1IOW ADP 0.004838 0.42011 2.95203
19 2VQD AP2 0.002693 0.4182 2.95203
20 1JG3 ADN 0.00748 0.40678 2.97872
21 1ZP9 ATP 0.00003785 0.51999 3.10078
22 1ZTH ADP 0.000009444 0.47099 3.10078
23 4FE2 ADP 0.004679 0.42707 3.13725
24 4U98 ACP 0.0002385 0.47753 3.32103
25 4NZ6 DLY 0.00924 0.42617 3.32103
26 4UWH JXM 0.0004159 0.42468 3.32103
27 5NCY 8TK 0.0003096 0.4161 3.32103
28 1T36 ADP 0.00585 0.40861 3.32103
29 2FN1 SAL 0.0207 0.4039 3.32103
30 3P7G MAN 0.02751 0.40597 3.42466
31 3DNT ATP 0.0007631 0.44135 3.69004
32 4PU5 ANP 0.0006092 0.4363 3.69004
33 1PK8 ATP 0.0005115 0.42625 3.69004
34 3O26 NDP 0.007382 0.40834 3.69004
35 3TPV ADE 0.005911 0.407 3.69004
36 5I35 ANP 0.000003957 0.5583 4.05904
37 5VZ0 ADP 0.0004564 0.43187 4.05904
38 1GSA ADP 0.02646 0.40016 4.05904
39 4ZS4 ATP 0.0001459 0.47688 4.23453
40 4R78 AMP 0.000007388 0.57631 4.42804
41 1TZD ADP 0.00003185 0.55676 4.42804
42 4OCJ NDG 0.00007691 0.50352 4.42804
43 1IHU AF3 0.001726 0.42277 4.42804
44 1IHU ADP 0.001978 0.41446 4.42804
45 1W2D ADP 0.0002702 0.49191 4.5283
46 3RG9 NDP 0.006154 0.41782 4.58333
47 3RG9 WRA 0.007265 0.41782 4.58333
48 3PDT ADP 0.0001464 0.44221 4.72727
49 4LRJ ANP 0.000005371 0.5009 4.73373
50 4OCV ANP 0.000132 0.47878 4.79705
51 2PUL ACP 0.00003776 0.466 4.79705
52 5COU ATP 0.0003629 0.42909 4.79705
53 3ORQ ADP 0.00236 0.41315 4.79705
54 1UPR 4IP 0.009958 0.41828 4.87805
55 3ETH ATP 0.002325 0.41737 5.16605
56 5G41 AP5 0.01954 0.40301 5.38117
57 2IF8 ADP 0.00002071 0.44082 5.53506
58 3VOT ADP 0.0002779 0.41737 5.53506
59 4JD0 1KH 0.01545 0.41532 5.57769
60 5IQD GNP 0.0004749 0.46711 5.90406
61 5IQD RIO 0.0005076 0.46711 5.90406
62 3R75 BEZ 0.0234 0.40538 5.90406
63 3TII ANP 0.0005974 0.40508 5.90406
64 3I0O ADP 0.0003241 0.48807 6.27306
65 1CKM GTP 0.001705 0.45827 6.27306
66 4AVB CMP 0.001922 0.44546 6.27306
67 3VSV XYS 0.01647 0.41663 6.27306
68 3KJS NAP 0.004959 0.41451 6.27306
69 1IA9 ANP 0.0000482 0.49778 6.64207
70 1EHI ADP 0.00113 0.43826 6.64207
71 2QK4 ATP 0.0004365 0.40561 6.64207
72 2AQX ATP 0.0008342 0.43593 7.01107
73 5LXT ACP 0.002102 0.41333 7.01107
74 4O4F IHP 0.001306 0.43492 7.66129
75 4O4F ATP 0.001358 0.43252 7.66129
76 2PYW ADP 0.00001806 0.49905 7.74908
77 3W0O HY0 0.00005557 0.43573 7.74908
78 3W0O ADP 0.00005557 0.43573 7.74908
79 5TDF ADP 0.002036 0.41587 7.74908
80 2CFI ZZZ 0.01542 0.41035 7.74908
81 3DGY 2GP 0.02608 0.40381 8.24742
82 3SJK LYS PRO VAL LEU ARG THR ALA 0.02902 0.40602 8.42105
83 3VPB ADP 0.00006125 0.48958 8.48709
84 3VPC ADP 0.000395 0.44947 8.48709
85 5TT6 ATP 0.0008816 0.43493 8.48709
86 2VPQ ANP 0.001581 0.42621 8.48709
87 4XYM A12 0.001672 0.41236 8.69565
88 2CFM AMP 0.001953 0.45007 8.85609
89 5IGI GMP 0.00331 0.42977 8.85609
90 5IGI ZIT 0.003513 0.42977 8.85609
91 3FW3 GLC 0.03653 0.41435 9.02256
92 3V4S ATP 0.003682 0.40903 9.04393
93 3X01 AMP 0.00003288 0.55754 9.22509
94 4ANW O92 0.00008126 0.42841 9.22509
95 5FI4 5XV 0.0009454 0.43743 9.5941
96 1Q9I TEO 0.02663 0.40569 9.5941
97 1Q9I FAD 0.02663 0.40569 9.5941
98 3AB4 THR 0.01312 0.40966 10.1124
99 4CYI ATP 0.00009216 0.47044 10.3321
100 3ZJX BOG 0.01251 0.41986 10.7011
101 3RE4 TO1 0.00001965 0.46169 10.8527
102 2BKK ADP 0.00005498 0.45041 11.2426
103 4LH7 1X8 0.001065 0.47737 11.8081
104 1TQP ATP 0.0000784 0.46317 11.8081
105 4GYI ADP 0.00001423 0.54673 12.9151
106 4DFU QUE 0.0001112 0.52478 12.9151
107 5C4L 4XR 0.0002616 0.47135 13.2841
108 3Q60 ATP 0.00007664 0.45558 13.2841
109 5C4L SIS 0.006879 0.40967 13.2841
110 4IX4 ADP 0.0000005468 0.56106 13.6531
111 4AZT LY2 0.0006037 0.47491 15.8672
112 4AZW ATP 0.0000918 0.4708 15.8672
113 2GQS ADP 0.006691 0.41176 16.0338
114 5CKW ANP 0.000002912 0.48724 16.6052
115 3HAV ATP 0.0001306 0.40481 16.6052
116 4WW7 AMP 0.000001765 0.54741 19.5402
117 4JR7 GNP 0.000000004616 0.62509 19.5572
118 4OAV ACP 0.00000007475 0.63651 21.0332
119 2PZI AXX 0.00004103 0.52488 21.7712
120 4Y0X ADP 0.000001196 0.51797 21.7712
121 4O1P ANP 0.0000001282 0.56985 23.2472
122 4IJP 1EH 0.0000001368 0.58574 23.6162
123 2YW2 ATP 0.00217 0.4222 23.6162
124 5M06 ADP 0.00005324 0.45747 26.1993
125 3VHE 42Q 0.0000002728 0.5139 27.6753
126 1U4J MAN 0.004551 0.40279 27.9661
127 3OFM 4B0 0.00000002413 0.5656 28
128 2PVN P63 0.00000001808 0.64708 28.125
129 3PE2 E1B 0.0000001024 0.64302 28.4866
130 4L9I 8PR 0.000001753 0.51501 28.7823
131 2IDO TMP 0.0279 0.40262 28.9157
132 4E1Z 0MX 0.0000000003208 0.68713 29.1513
133 5N87 N66 0.0000002975 0.60704 29.5203
134 3HMO STU 0.0000005132 0.5392 29.8893
135 4D2S DYK 0.0000001717 0.53414 29.8893
136 5GZ9 ANP 0.00000002307 0.62897 30.2583
137 4Q5H ANP 0.00003328 0.47831 30.4598
138 5DMZ ADP 0.0000000152 0.65866 30.9963
139 4I94 ANP 0.0000003688 0.54536 31.7343
140 3GNI ATP 0.000000253 0.5744 32.1033
141 3FHR P4O 0.0000000004058 0.71822 33.9483
142 3LXK MI1 0.000000001285 0.6937 34.6863
143 2WU6 DKI 0.00000005775 0.61226 34.6863
144 5KO1 6UY 0.000000981 0.52831 34.6863
145 2A19 ANP 0.0000001271 0.65397 35.0554
146 4OH4 ANP 0.000000009982 0.61167 35.0554
147 4XH0 ADP 0.00000318 0.60872 35.0554
148 5LPZ ADP 0.00000001598 0.60319 35.0554
149 3KRL KRL 0.0000002413 0.58343 35.0554
150 5LPB ADP 0.0000000279 0.55398 35.0554
151 5X8I SQZ 0.00000001118 0.61012 35.4244
152 4G17 0VN 0.000007184 0.48747 35.4244
153 5AWM ANP 0.0000000746 0.66523 35.7934
154 4WOV 3SM 0.0000004022 0.62034 35.7934
155 5C03 AGS 0.000005093 0.50728 35.7934
156 4F4P 0SB 0.0000001005 0.65856 36.1624
157 3SRV S19 0.0000000005946 0.64787 36.1624
158 4FL3 ANP 0.0000002897 0.58012 36.1624
159 5BYZ 4WE 0.00000522 0.54512 36.1624
160 2CSN CKI 0.004042 0.44274 36.1624
161 3KRR DQX 0.000000002442 0.73936 36.5314
162 4EUU BX7 0.000000001928 0.61733 36.5314
163 3F7Z 34O 0.00000001235 0.60923 36.5314
164 3TXO 07U 0.00000001082 0.5898 36.5314
165 5W4W 9WG 0.000003796 0.55113 36.5314
166 3ZRM ZRM 0.0000009566 0.53568 36.5314
167 4KBA 1QM 0.000004506 0.48936 36.5314
168 5UIU 8CG 0.00000002993 0.64007 36.9004
169 4XLI 1N1 0.0000001112 0.62869 36.9403
170 2B9I ADP 0.00000004257 0.63881 37.2694
171 2B9J ADP 0.00000002666 0.58751 37.2694
172 2B9H ADP 0.00000009117 0.58512 37.2694
173 2B9F ADP 0.00000006093 0.58382 37.2694
174 4IZY 1J2 0.000005097 0.53405 37.2694
175 3PTG 932 0.0000001183 0.52543 37.2694
176 3TTI KBI 0.000001166 0.51146 37.2694
177 4M69 ANP 0.00003023 0.49126 37.2694
178 4WHZ 3NL 0.000002742 0.412 37.2694
179 4UX9 ANP 0.00000001673 0.63971 37.6384
180 1BYG STU 0.00000000129 0.62491 37.6384
181 1PHK ATP 0.00000001138 0.61925 37.6384
182 2JLD AG1 0.000000161 0.61487 37.6384
183 4NM5 ADP 0.0004403 0.48209 37.6384
184 2QLU ADE 0.0000000163 0.4562 37.6384
185 2R5T ANP 0.00000004307 0.61462 38.0074
186 4AUA 4AU 0.00000005563 0.5781 38.0074
187 5EFQ ADP 0.0000003419 0.55436 38.0074
188 3GC0 AMP 0.000002355 0.49635 38.0074
189 5EKO N17 0.002403 0.41859 38.0074
190 3TKI S25 0.0000000004009 0.76279 38.3764
191 1V0O INR 0.0000000001065 0.74346 38.3764
192 2HY0 306 0.00000001309 0.69103 38.3764
193 4BFM ANP 0.00000008471 0.60974 38.3764
194 4Y8D 49J 0.0000003331 0.59915 38.3764
195 4BKJ STI 0.0004553 0.45265 38.3764
196 4WNK 453 0.00000004633 0.63188 38.7454
197 1Q8Y ADP 0.00000002693 0.61431 38.7454
198 3PP0 03Q 0.00000000467 0.60564 38.7454
199 5MY8 RXZ 0.00002567 0.50559 38.7454
200 1Q8Y ADE 0.000001089 0.48809 38.7454
201 4LOO SB4 0.00002428 0.48264 38.7454
202 3KMW ATP 0.00001515 0.48245 38.7454
203 5HQ0 LZ9 0.000000005322 0.64334 39.1144
204 4CRL C1I 0.000002051 0.56651 39.1144
205 4NST ADP 0.0000005277 0.54766 39.1144
206 1OUK 084 0.00008512 0.54701 39.1144
207 3V8S 0HD 0.00000007502 0.63644 39.4834
208 3CY2 MB9 0.00000006316 0.59526 39.4834
209 3NW7 LGV 0.000004226 0.56964 39.4834
210 1CM8 ANP 0.0000005958 0.53643 39.4834
211 1K3A ACP 0.000004028 0.49348 39.4834
212 5BVE 4VG 0.00000008471 0.66446 39.8524
213 4F9C 0SX 0.000000009897 0.60353 39.8524
214 4QTB 38Z 0.0000004 0.58923 39.8524
215 4H3P ANP 0.000001002 0.57793 39.8524
216 4H3Q ANP 0.000001205 0.55694 39.8524
217 4YLL 4E3 0.000004175 0.53432 39.8524
218 2RIO ADP 0.00000002309 0.5912 40.2214
219 5U6C 7YS 0.0000002743 0.5811 40.2214
220 2Y6O 1N1 0.0000005409 0.56882 40.2214
221 3M2W L8I 0.0000000001577 0.64169 40.5904
222 3O0G 3O0 0.000000001544 0.62978 40.5904
223 3UIM ANP 0.0000001725 0.61184 40.5904
224 1UNH IXM 0.000000002501 0.59702 40.5904
225 4AU8 Z3R 0.00000001973 0.55902 40.5904
226 5LXC 7AA 0.000000001939 0.6164 40.9594
227 5VCV 1N1 0.00000002648 0.59772 40.9594
228 4EWH T77 0.0000000004401 0.63177 41.3284
229 5HVJ ANP 0.00000006444 0.70036 41.6974
230 5FBN 5WF 0.0000006823 0.58931 41.6974
231 4Y93 746 0.000003161 0.51026 41.6974
232 5H2U 1N1 0.000001678 0.52709 41.9476
233 3ORK AGS 0.000004856 0.50304 42.0664
234 3SXS PP2 0.00000005036 0.60344 42.1642
235 5DA3 58V 0.0000000326 0.68274 42.2642
236 4TWP AXI 0.000000001044 0.73162 42.4354
237 4YZN 4K5 0.0000000004461 0.70081 42.4354
238 4CLI 5P8 0.0000004428 0.61114 42.4354
239 3PLS ANP 0.0000002787 0.54857 42.4354
240 1OPK P16 0.0000003008 0.50295 42.4354
241 4G31 0WH 0.000009339 0.44597 42.4354
242 1VJY 460 0.000000002012 0.69575 42.8044
243 2H8H H8H 0.00000000383 0.68523 42.8044
244 3G5D 1N1 0.00000003115 0.67833 42.8044
245 1Y57 MPZ 0.000000405 0.56297 42.8044
246 4E93 GUI 0.00000003114 0.53321 42.8044
247 4CSV STI 0.00001483 0.51124 42.8044
248 4A4X JUP 0.00000006147 0.61928 43.1734
249 4BTK DTQ 0.0000002652 0.55879 43.1734
250 4NFN 2KC 0.0000007268 0.53413 43.1734
251 2OO8 RAJ 0.001479 0.42556 43.1734
252 1U59 STU 0.0000000001266 0.75094 43.5424
253 3HZT J60 0.00000002935 0.68496 43.5424
254 5USZ SKE 0.00000002269 0.64032 43.5424
255 4OTH DRN 0.00000003129 0.6204 43.5424
256 2OFV 242 0.000000211 0.61362 43.5424
257 2YAB AMP 0.00000001975 0.61022 43.5424
258 5TO8 7FM 0.0000007146 0.59545 43.5424
259 4P5Z Q7M 0.0000006759 0.59484 43.5424
260 4WNP 3RJ 0.00000000002423 0.82089 43.9024
261 1XJD STU 0.00000000001553 0.77977 43.9114
262 5EYK 5U5 0.00000001907 0.64355 43.9114
263 5JZJ AN2 0.00000000134 0.63274 43.9114
264 4U44 3D9 0.000000006534 0.61929 43.9114
265 4XV1 904 0.0000002311 0.608 43.9114
266 5JFS 6K0 0.0000007322 0.59661 43.9114
267 4CQE CQE 0.0000001854 0.58819 43.9114
268 4C2V YJA 0.000000002808 0.57892 43.9114
269 4AT3 LTI 0.0000001662 0.52291 43.9114
270 4C2W ANP 0.000000324 0.52018 43.9114
271 3DLS ADP 0.00000000243 0.61164 44.2804
272 5EOB 5QQ 0.0000009501 0.60828 44.2804
273 3H9R TAK 0.00000323 0.59426 44.2804
274 2XVD AS6 0.00000005715 0.54843 44.2804
275 4FF8 14S 0.00001058 0.46873 44.2804
276 3C1X CKK 0.0006198 0.44131 44.2804
277 4YZC STU 0.00000001421 0.66734 44.6494
278 4N70 2HX 0.00000005316 0.65903 44.6494
279 5VC5 96M 0.000000009051 0.65741 44.6494
280 3AQV TAK 0.0000003889 0.55164 44.6494
281 5UKL SIX 0.000002801 0.55079 44.6494
282 3PVW QRX 0.0000008934 0.52198 44.6494
283 4YMJ 4EJ 0.0000000305 0.71604 45.0185
284 5LI1 ANP 0.000000002093 0.66935 45.0185
285 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.00000006784 0.66397 45.0185
286 2JDR L20 0.00000006784 0.66397 45.0185
287 3MVH WFE 0.00000006541 0.6254 45.0185
288 4U0I 0LI 0.00000074 0.58194 45.0185
289 3KN5 ANP 0.0000001407 0.5417 45.0185
290 3VRY B43 0.000004631 0.50318 45.0185
291 5MJA 7O3 0.00001019 0.48736 45.0185
292 4RFM 3P6 0.0000007883 0.42386 45.1128
293 2HK5 1BM 0.0000004035 0.56714 45.1852
294 5HX8 66P 0.0000000004763 0.63965 45.3875
295 3BU5 ATP 0.00000004184 0.59002 45.3875
296 4FG8 ATP 0.0000004606 0.56475 45.3875
297 5LI9 ACP 0.000003126 0.54939 45.3875
298 3EKK GS2 0.0000001631 0.48465 45.3875
299 4BCN T9N 0.000000001047 0.74317 45.7565
300 4CFU 2WC 0.000000001807 0.72057 45.7565
301 4BCQ TJF 0.00000008372 0.53857 45.7565
302 4DC2 ADE 0.00000007884 0.48533 45.7565
303 4BCM T7Z 0.000001117 0.48157 45.7565
304 2Z7R STU 0.0000000002683 0.70654 46.1255
305 3IGO ANP 0.000003919 0.53297 46.1255
306 2WEI VGG 0.0000448 0.5166 46.1255
307 3BZ3 YAM 0.0000001035 0.41993 46.1255
308 3QCQ 3Q0 0.000000005376 0.74327 46.4945
309 3LXN MI1 0.0000000001084 0.7328 46.4945
310 4WB6 ATP 0.000000003552 0.67203 46.4945
311 4GJ3 0XP 0.000000000004979 0.6565 46.4945
312 2V7O DRN 0.000000001953 0.57891 46.4945
313 4ASE AV9 0.0000007263 0.57588 46.4945
314 3C0G 3AM 0.00000003935 0.55901 46.4945
315 5LVP ATP 0.0000009447 0.51303 46.4945
316 4AG8 AXI 0.00000001353 0.51156 46.4945
317 4WB7 ATP 0.00000003091 0.5035 46.4945
318 5LXM ADP 0.000000001273 0.63413 46.8635
319 5EW9 5VC 0.000002976 0.61915 46.8635
320 5G1X ADP 0.000000005649 0.6125 46.8635
321 5IH9 6BF 0.0000002387 0.61126 46.8635
322 2WQN ADP 0.00002714 0.53341 46.8635
323 5L8L ADP 0.0000003529 0.52237 46.8635
324 2XK9 XK9 0.0002862 0.50883 46.8635
325 3SXF BK5 0.000002887 0.45672 46.8635
326 4X7Q 3YR 0.0000000004063 0.72847 47.2325
327 2QCS ANP 0.000000003951 0.67006 47.2325
328 5JGA 6KC 0.000000003011 0.56187 47.2325
329 2VN9 GVD 0.00000003436 0.54257 47.2325
330 5LMK 6ZK 0.000001517 0.51202 47.2325
331 2BPM 529 0.00000005953 0.44175 47.2325
332 2J7T 274 0.005768 0.4398 47.2325
333 3E5A VX6 0.00000002685 0.58837 47.3881
334 2GU8 796 0.0000000008996 0.74972 47.6015
335 1RE8 BD2 0.00000001279 0.68404 47.6015
336 3FHI ANP 0.000000003523 0.67218 47.6015
337 2X2M X2M 0.000000004296 0.65634 47.6015
338 3IDB ANP 0.000000002862 0.64859 47.6015
339 4L3L 5FI 0.0000005114 0.58681 47.6015
340 3ALN ANP 0.0000008092 0.5545 47.6015
341 5TA6 79D 0.000002818 0.49587 47.6015
342 3FC2 IBI 0.0006211 0.48705 47.6015
343 5NKB 8ZT 0.0000001145 0.46775 47.6015
344 2ZV2 609 0.0000000002062 0.78981 47.9705
345 2VZ6 FEF 0.00000001077 0.69506 47.9705
346 5HCY 60D 0.00000009773 0.64077 47.9705
347 5JKG 6LF 0.00000006838 0.63903 47.9705
348 4NW6 2NS 0.00000000003027 0.62231 47.9705
349 5A6N U7E 0.0000001613 0.57585 47.9705
350 3E7O 35F 0.000002544 0.56058 47.9705
351 3GC8 B45 0.000001407 0.55151 47.9705
352 4USF 6UI 0.000002235 0.54816 47.9705
353 2PVF ACP 0.000000008655 0.679 48.3395
354 1U5R ATP 0.00000002057 0.65283 48.3395
355 3RI1 3RH 0.00000005449 0.62151 48.3395
356 2YAK OSV 0.0000005922 0.50491 48.3395
357 2XMY CDK 0.0000001285 0.65943 48.7085
358 4K33 ACP 0.00000004232 0.59738 48.7085
359 3GGF GVD 0.0000000004598 0.63854 49.0775
360 2WEL K88 0.000006727 0.44994 49.0775
361 4QMN DB8 0.00000005337 0.5003 49.4465
362 1ZY5 ANP 0.00003392 0.46994 49.4465
363 2F57 23D 0.00000002726 0.66587 49.8155
364 5DBX ANP 0.00004088 0.45309 49.8155
Pocket No.: 2; Query (leader) PDB : 5UOX; Ligand: 8GY; Similar sites found: 9
This union binding pocket(no: 2) in the query (biounit: 5uox.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YRX AMP 0.03182 0.40209 2.95203
2 4MV1 ADP 0.009035 0.40285 3.32103
3 4NZ6 DGL 0.03007 0.40254 3.32103
4 4P6G 2FZ 0.01664 0.40621 3.53982
5 2G50 PYR 0.01524 0.41881 4.05904
6 3KA2 2NC 0.006543 0.42602 4.4335
7 3KAL ADP 0.0037 0.42076 5.53506
8 4B1L FRU 0.009031 0.42007 8.48485
9 1I7A FLC 0.01126 0.40798 9.90991
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