Receptor
PDB id Resolution Class Description Source Keywords
1UNH 2.35 Å EC: 2.7.11.22 STRUCTURAL MECHANISM FOR THE INHIBITION OF CDK5-P25 BY ROSCOVITINE, ALOISINE AND INDIRUBIN. HOMO SAPIENS CELL CYCLE NEURODEGENERATIVE DISEASES INDIRUBIN
Ref.: MECHANISM OF CDK5/P25 BINDING BY CDK INHIBITORS J.MED.CHEM. V. 48 671 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IXM A:1288;
B:1288;
Valid;
Valid;
none;
none;
ic50 = 0.1 uM
277.277 C16 H11 N3 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UNH 2.35 Å EC: 2.7.11.22 STRUCTURAL MECHANISM FOR THE INHIBITION OF CDK5-P25 BY ROSCOVITINE, ALOISINE AND INDIRUBIN. HOMO SAPIENS CELL CYCLE NEURODEGENERATIVE DISEASES INDIRUBIN
Ref.: MECHANISM OF CDK5/P25 BINDING BY CDK INHIBITORS J.MED.CHEM. V. 48 671 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1UNG ic50 = 0.18 uM ALH C16 H17 N3 O CCCCc1c2c(....
2 1UNH ic50 = 0.1 uM IXM C16 H11 N3 O2 c1ccc2c(c1....
3 1UNL - RRC C19 H26 N6 O CC[C@H](CO....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1UNG ic50 = 0.18 uM ALH C16 H17 N3 O CCCCc1c2c(....
2 1UNH ic50 = 0.1 uM IXM C16 H11 N3 O2 c1ccc2c(c1....
3 1UNL - RRC C19 H26 N6 O CC[C@H](CO....
4 3O0G ic50 = 2 uM 3O0 C16 H11 Cl N4 O3 S c1cc(cc(c1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1UNG ic50 = 0.18 uM ALH C16 H17 N3 O CCCCc1c2c(....
2 1UNH ic50 = 0.1 uM IXM C16 H11 N3 O2 c1ccc2c(c1....
3 1UNL - RRC C19 H26 N6 O CC[C@H](CO....
4 3O0G ic50 = 2 uM 3O0 C16 H11 Cl N4 O3 S c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IXM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 IXM 1 1
2 FEF 0.565217 0.705882
3 LI7 0.40625 0.660377
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UNH; Ligand: IXM; Similar sites found: 324
This union binding pocket(no: 1) in the query (biounit: 1unh.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5I35 ANP 0.00004256 0.48789 2.40385
2 3BOF HCS 0.01098 0.4125 2.40385
3 1Q8A HCS 0.01382 0.40722 2.40385
4 4CC6 L5Y 0.002856 0.43427 3.08219
5 3SJK LYS PRO VAL LEU ARG THR ALA 0.003993 0.43856 3.15789
6 3VPC ADP 0.0004341 0.41966 3.36538
7 3VPD ANP 0.0005685 0.40988 3.36538
8 3WVR AMP 0.0002129 0.46671 3.42466
9 1I7L ATP 0.000221 0.41944 3.42466
10 1G51 AMP 0.01678 0.40738 3.42466
11 3I0O ADP 0.0001692 0.48687 3.76712
12 4AZC NGW 0.01582 0.40438 3.84615
13 2CFM AMP 0.0005266 0.46372 4.10959
14 4PZ6 GMP 0.001528 0.45446 4.10959
15 3TDV GDP 0.0006396 0.43244 4.10959
16 5W2I ADP 0.0001292 0.50537 4.28016
17 5W2I I3P 0.0001292 0.50537 4.28016
18 2IF8 ADP 0.00003551 0.53408 4.32692
19 5C1P ADP 0.001298 0.44017 4.32692
20 5C1P DAL DAL 0.003356 0.43908 4.32692
21 3UDZ ADP 0.00001677 0.48043 4.45205
22 4EN4 GT1 0.0353 0.40312 4.45205
23 4EN4 GT0 0.0353 0.40312 4.45205
24 1TZD ADP 0.0001257 0.50519 4.72727
25 4LRJ ANP 0.0002417 0.45561 4.73373
26 4ZS4 ATP 0.00005709 0.46465 4.80769
27 5TT5 NAD 0.002176 0.44816 4.80769
28 3S6X SIA GAL BGC 0.01656 0.40473 4.80769
29 1W2D ADP 0.0001567 0.48844 4.90566
30 1CBK ROI 0.006018 0.42536 5
31 3PN1 IVH 0.0007903 0.46732 5.13699
32 2ZL7 FUC GAL NGA 0.01802 0.40358 5.13699
33 2QK4 ATP 0.0009265 0.45785 5.28846
34 2PUL ACP 0.000007748 0.51695 5.47945
35 4RDL FUC GAL NDG FUC 0.005884 0.42687 5.47945
36 5EYP GDP 0.02063 0.40495 5.76923
37 2Z48 NGA 0.009339 0.40419 5.76923
38 5IGI GMP 0.0314 0.40377 5.76923
39 5IGI ZIT 0.03284 0.40377 5.76923
40 3HQP OXL 0.007872 0.42485 5.82192
41 4HZO COA 0.01366 0.40586 5.82192
42 1TQP ATP 0.0002933 0.40771 6.02837
43 5DXT 5H5 0.01065 0.40649 6.16438
44 3TY5 ATP 0.0006868 0.4583 6.25
45 3TY5 ADP 0.002799 0.4185 6.25
46 2YW2 ATP 0.001483 0.40462 6.25
47 5MW8 ATP 0.00004502 0.5252 6.73077
48 4MV1 ADP 0.001454 0.46576 6.73077
49 2Q7D ANP 0.002717 0.44511 6.73077
50 1IA9 ANP 0.00004187 0.46861 6.78571
51 2VPQ ANP 0.0004051 0.41339 6.84932
52 2QX0 PH2 0.003291 0.4425 6.91824
53 5LXT ACP 0.001026 0.40166 6.99301
54 4U98 ACP 0.0005988 0.43878 7.19178
55 2VQD AP2 0.0008276 0.41464 7.19178
56 5JBE MAL 0.0161 0.40225 7.19178
57 5CKW ANP 0.00007799 0.48992 7.21154
58 1M0W ANP 0.002244 0.43173 7.21154
59 4ME6 ADP 0.01369 0.40672 7.21154
60 3NGU ADP 0.008755 0.41771 7.28477
61 5ML3 DL3 0.02518 0.40965 7.38255
62 3KA2 2NC 0.02012 0.42512 7.38916
63 4DFU QUE 0.001906 0.44837 7.45342
64 5C4L 4XR 0.003304 0.4468 7.47664
65 5A5W GUO 0.0429 0.40059 7.50988
66 4XYM A12 0.001234 0.45057 7.5431
67 3BP1 GUN 0.0006322 0.48927 7.69231
68 5DMZ ADP 0.0000005027 0.5525 7.87671
69 4R78 AMP 0.00002298 0.53525 7.87671
70 1S68 AMP 0.001595 0.4522 8.03213
71 1RZX ACE VAL LYS GLU SER LEU VAL 0.0122 0.41209 8.16327
72 4O4F ATP 0.002376 0.44632 8.17308
73 4O4F IHP 0.002565 0.44632 8.17308
74 4GLW 0XT 0.005071 0.42222 8.17308
75 5TDF ADP 0.006449 0.41864 8.17308
76 3X01 AMP 0.00004541 0.53382 8.21918
77 4CNG SAH 0.01671 0.40812 8.23529
78 3DLG GWE 0.02851 0.42396 8.65385
79 3AKK ADP 0.0007546 0.42141 8.65385
80 4LI4 AMP 0.006855 0.41589 8.82353
81 3TII ANP 0.0001719 0.48655 9.13461
82 1KJ1 MAN 0.01021 0.40919 9.17431
83 5IQD RIO 0.003846 0.4509 9.24658
84 5IQD GNP 0.00365 0.4509 9.24658
85 1GSA ADP 0.0001716 0.4292 9.24658
86 1NU4 MLA 0.002143 0.48084 9.27835
87 3PDT ADP 0.0002065 0.46805 9.45455
88 2BKK ADP 0.001436 0.43817 9.46746
89 3VOT ADP 0.0001135 0.49501 9.58904
90 5COU ATP 0.0008261 0.45422 9.61539
91 4OCV ANP 0.000547 0.42537 10.0962
92 5VZ0 ADP 0.0002249 0.48046 10.274
93 4UWH JXM 0.0006422 0.44637 10.274
94 3VPB ADP 0.0000875 0.42543 10.7143
95 4OUC 5ID 0.0000005271 0.58029 10.9589
96 3VOZ 04A 0.01215 0.41603 10.9589
97 5GZ9 ANP 0.00000001851 0.68695 11.6438
98 1PK8 ATP 0.0001611 0.41711 11.6438
99 4TTS 6DD 0.0162 0.40294 11.6438
100 4ZGP ADP 0.00761 0.40938 12.0192
101 1AUX AGS 0.0001327 0.45892 12.3288
102 5DZT AMP 0.0003452 0.44006 12.5
103 4WW7 AMP 0.00002323 0.53661 12.6437
104 5K2M ADP 0.0006636 0.47126 13.2075
105 2PYW ADP 0.00001547 0.47536 13.4615
106 1ZTH ADP 0.000009591 0.54541 13.5659
107 1ZP9 ATP 0.00001918 0.51199 13.5659
108 3RE4 TO1 0.00001269 0.53971 13.9535
109 5W4W 9WG 0.0000005174 0.63421 14.0411
110 3Q60 ATP 0.000009677 0.51363 14.0411
111 4KBA 1QM 0.0000006872 0.47542 14.0411
112 4CT7 TRP 0.01598 0.40248 14.4231
113 3LQV ADE 0.009508 0.41198 15.3846
114 3HAV ATP 0.0006787 0.47182 15.8654
115 4Q5H ANP 0.0007868 0.42572 16.0256
116 2YRX AMP 0.01195 0.41012 16.1863
117 4OAV ACP 0.00000004018 0.61101 16.4384
118 5FI4 5XV 0.003247 0.43813 16.4384
119 4AZT LY2 0.001851 0.43807 16.8269
120 2IO8 ADP 0.0001794 0.41589 16.8269
121 3MYZ TFX 0.008131 0.44314 17
122 4O1P ANP 0.00000002113 0.60437 17.4658
123 5M06 ADP 0.00001894 0.52738 18.1159
124 4GYI ADP 0.0005713 0.4565 18.8356
125 1U6R IOM 0.002211 0.44865 21.1538
126 4XH0 ADP 0.0000007446 0.62392 21.9178
127 4CYI ATP 0.000001573 0.58948 22.2603
128 2CSN CKI 0.00000005539 0.51598 23.6301
129 5VC5 96M 0.000000003668 0.73229 23.8754
130 5KO1 6UY 0.0000003056 0.57504 24.0283
131 4BTK DTQ 0.0000124 0.49761 25.6849
132 4NFN 2KC 0.00002664 0.4946 25.6849
133 4IX4 ADP 0.00002014 0.53713 28.0822
134 3VHE 42Q 0.0000001085 0.47652 28.0822
135 5UIU 8CG 0.0000000179 0.70378 28.7671
136 3UIM ANP 0.00000008259 0.58383 29.4521
137 5CEO 50D 0.0000004814 0.60767 29.7945
138 4Y0X ADP 0.000006724 0.54812 30.137
139 2PZI AXX 0.000007055 0.54388 30.137
140 3H9R TAK 0.00000001619 0.68721 30.4795
141 4WOV 3SM 0.000002402 0.5653 30.4795
142 3KMW ATP 0.000001263 0.55038 30.6273
143 5LPB ADP 0.0000000003444 0.72452 30.8219
144 4X7Q 3YR 0.000000002432 0.64336 30.8219
145 4IDT T28 0.000000008529 0.6392 30.8219
146 5C03 AGS 0.000006213 0.55578 30.8219
147 4UAL 3FV 0.00000008534 0.64278 31.1644
148 5T8O 76Z 0.00000002036 0.57872 31.1644
149 1VJY 460 0.0000000001687 0.80857 31.5068
150 4OH4 ANP 0.000000004241 0.63574 31.5068
151 5VCV 1N1 0.000000001636 0.58037 31.5068
152 5LPZ ADP 0.000000002592 0.64303 31.8493
153 3LXK MI1 0.00000000939 0.52922 31.8493
154 2OO8 RAJ 0.00004145 0.44711 31.8493
155 5USZ SKE 0.00000005097 0.50497 32.526
156 4CLI 5P8 0.0000001363 0.68316 32.5342
157 3NW7 LGV 0.000004466 0.6086 32.5342
158 1K3A ACP 0.000001194 0.57919 32.5342
159 4EUU BX7 0.00000001759 0.52492 32.5342
160 5JGA 6KC 0.0000000003253 0.52482 32.5342
161 4YZN 4K5 0.0000000007595 0.7532 32.7526
162 3KRR DQX 0.00000007916 0.71849 32.8767
163 4WNK 453 0.0000007909 0.62307 32.8767
164 3V8S 0HD 0.00000003004 0.61484 32.8767
165 3KN5 ANP 0.000006768 0.5447 32.8767
166 1U59 STU 0.00000003196 0.60294 33.101
167 4DC2 ADE 0.000000004558 0.74572 33.2192
168 2QLU ADE 0.00000002618 0.72531 33.2192
169 5LI1 ANP 0.000000003996 0.71552 33.2192
170 5JFS 6K0 0.00000005218 0.69925 33.2192
171 1U5R ATP 0.00000002022 0.62219 33.2192
172 5HX8 66P 0.00000000461 0.54562 33.2192
173 5LI9 ACP 0.0000006786 0.53538 33.2192
174 4P5Z Q7M 0.0000001872 0.6677 33.5616
175 5HVJ ANP 0.0000002449 0.65199 33.5616
176 4Y8D 49J 0.00000001314 0.61803 33.5616
177 3PLS ANP 0.00000006764 0.60196 33.5616
178 5U6C 7YS 0.000000006614 0.58886 33.5616
179 5HES 032 0.000000004016 0.71542 33.9041
180 3LXN MI1 0.000000007758 0.5932 33.9041
181 5DBX ANP 0.000003867 0.55583 33.9041
182 4GJ3 0XP 0.00000000565 0.50717 33.9041
183 4Y93 746 0.000001508 0.47592 33.9041
184 3ORK AGS 0.00001241 0.45227 33.9041
185 4YMJ 4EJ 0.000000008829 0.72268 34.2466
186 4N70 2HX 0.0000002102 0.67957 34.2466
187 3CY2 MB9 0.00000006208 0.5435 34.2466
188 4FF8 14S 0.00001333 0.5225 34.2466
189 4E93 GUI 0.000000004029 0.5037 34.589
190 4E1Z 0MX 0.0000001969 0.5249 34.7079
191 5HCY 60D 0.00000005353 0.70385 34.9315
192 3DLS ADP 0.0000001078 0.61054 34.9315
193 3KRL KRL 0.0000001405 0.53672 34.9315
194 3PP0 03Q 0.00000007218 0.50922 34.9315
195 4M69 ANP 0.000004285 0.5689 35.274
196 3TKI S25 0.0000000153 0.74426 35.6164
197 2GU8 796 0.00000006286 0.71506 35.6164
198 2HY0 306 0.000000008342 0.6779 35.6164
199 4U44 3D9 0.00000001473 0.615 35.6164
200 4BKJ STI 0.00003587 0.53418 35.6164
201 1RE8 BD2 0.00000005197 0.70774 35.9589
202 4XV1 904 0.0000001427 0.66595 35.9589
203 3IDB ANP 0.0000000172 0.55733 35.9589
204 3FHI ANP 0.00000003257 0.51779 35.9589
205 2QCS ANP 0.00000004007 0.51577 35.9589
206 4QMN DB8 0.00000006322 0.45224 35.9589
207 4WB7 ATP 0.0000001049 0.4446 35.9589
208 4EWH T77 0.0000004079 0.4844 36
209 3SXS PP2 0.00000006599 0.56093 36.194
210 1JPA ANP 0.00000001039 0.74063 36.3014
211 5AX9 4KT 0.000000003243 0.70913 36.3014
212 4WB6 ATP 0.00000004045 0.67901 36.3014
213 5MJA 7O3 0.00000003307 0.65455 36.3014
214 1ZY5 ANP 0.000006081 0.52104 36.3014
215 1OPK P16 0.0000001973 0.46646 36.3014
216 4FL3 ANP 0.00000011 0.54754 36.6438
217 2Y6O 1N1 0.00000006655 0.55066 36.7698
218 2X2M X2M 0.0000000007883 0.61286 36.9863
219 3BU5 ATP 0.00000002734 0.60259 36.9863
220 4G17 0VN 0.0000002807 0.59219 36.9863
221 3EKK GS2 0.00000002304 0.45999 36.9863
222 3GGF GVD 0.00000001878 0.64383 37.3288
223 2XVD AS6 0.0000001052 0.49418 37.3288
224 4BHN BH9 0.000000003415 0.60643 37.6712
225 4CQE CQE 0.0000002696 0.5271 37.7698
226 5JKG 6LF 0.0000003351 0.655 38.0137
227 3C1X CKK 0.000006124 0.48356 38.0137
228 5NKB 8ZT 0.00000004454 0.43324 38.0137
229 2A19 ANP 0.0000001981 0.62454 38.3803
230 5EOB 5QQ 0.0000013 0.64516 38.6986
231 2PVF ACP 0.00000001233 0.63058 38.6986
232 2H8H H8H 0.000000009315 0.62203 38.6986
233 4I94 ANP 0.0000006197 0.56304 38.6986
234 1Y57 MPZ 0.000000137 0.5285 38.6986
235 3RI1 3RH 0.00000002988 0.52119 38.6986
236 1BYG STU 0.0000000106 0.65249 38.8489
237 5H2U 1N1 0.0000001157 0.58126 39.3258
238 3VRY B43 0.000000006982 0.54733 39.3836
239 2WQN ADP 0.00003015 0.51499 39.3836
240 4TWP AXI 0.000000005338 0.43018 39.4834
241 5DA3 58V 0.00000002278 0.66864 39.6226
242 4A4X JUP 0.00000003758 0.68056 39.7849
243 5FBN 5WF 0.0000002036 0.66027 39.8524
244 3G5D 1N1 0.00000001725 0.74439 39.8601
245 4XLI 1N1 0.00000001323 0.63157 39.9254
246 3M2W L8I 0.00000002405 0.65684 40.0685
247 4K33 ACP 0.00000002488 0.5867 40.0685
248 5UR1 YY9 0.0000002117 0.6718 40.411
249 3GQI ACP 0.00000002539 0.6007 40.411
250 4Y85 499 0.0000007054 0.59668 40.411
251 5UOX 8GY 0.000000002501 0.59702 40.5904
252 3SRV S19 0.000000001976 0.66468 40.7942
253 2OFV 242 0.00000003541 0.46222 40.7942
254 4CSV STI 0.0000002768 0.51242 41.0909
255 4F4P 0SB 0.000000302 0.68312 41.3919
256 5TA6 79D 0.00000001848 0.51994 41.4384
257 4L9I 8PR 0.00005752 0.50795 41.4384
258 2HK5 1BM 0.00000001425 0.58589 41.8519
259 3GNI ATP 0.0000002569 0.53474 42.1233
260 4U0I 0LI 0.0000004638 0.44869 42.1233
261 3ALN ANP 0.0000001005 0.55663 42.4658
262 2V7O DRN 0.000000007912 0.70219 42.8082
263 5LVP ATP 0.000001174 0.57954 42.8082
264 4ASE AV9 0.00000008123 0.49132 42.8082
265 4AG8 AXI 0.0000001127 0.44146 42.8082
266 4L3L 5FI 0.000000403 0.63744 43.1507
267 4JDI ANP 0.000000007016 0.59206 43.4931
268 3FHR P4O 0.00000003733 0.58087 43.4931
269 4OTH DRN 0.00000003607 0.56166 43.4931
270 2R5T ANP 0.0000005194 0.51537 43.4931
271 2X4Z X4Z 0.00000009382 0.46086 43.4931
272 4YZC STU 0.000000003672 0.75143 43.8356
273 2F2U M77 0.000000003869 0.7048 43.8356
274 4KS7 X4Z 0.00000001877 0.5589 43.8356
275 5UKL SIX 0.00002287 0.54765 43.8356
276 4I6H 1C8 0.000001566 0.53486 43.8356
277 3PVW QRX 0.000001924 0.46758 43.8356
278 5TO8 7FM 0.0000006091 0.64364 43.9716
279 2F57 23D 0.00000001971 0.64183 44.1781
280 3TXO 07U 0.00000004104 0.62914 44.5205
281 3SLS ANP 0.00000005769 0.55313 44.5205
282 2YAB AMP 0.000001406 0.52581 44.5205
283 2XK9 XK9 0.00000006081 0.46199 44.5205
284 2ZV2 609 0.000000003624 0.70613 44.863
285 5IH9 6BF 0.00000006209 0.68795 44.863
286 3DAK ANP 0.000002941 0.54748 45.1724
287 2VN9 GVD 0.00000000113 0.74294 45.2055
288 1XJD STU 0.000000003715 0.62175 45.2055
289 1PHK ATP 0.00000002057 0.59138 45.2055
290 4AT3 LTI 0.00000009039 0.4813 45.2055
291 2WEL K88 0.000000006523 0.72719 45.5479
292 4JR7 GNP 0.00000002191 0.67036 45.5479
293 4F9C 0SX 0.0000004996 0.56818 45.5479
294 5N87 N66 0.000000001578 0.7676 45.8904
295 5JZJ AN2 0.000000004384 0.69912 45.8904
296 5DEY 59T 0.0000001227 0.69724 45.8904
297 4FG8 ATP 0.00000213 0.50774 45.8904
298 2J7T 274 0.00000004205 0.49241 45.8904
299 3AQV TAK 0.000006687 0.51157 46.0145
300 3HMO STU 0.0000000003993 0.69177 46.2329
301 3MVH WFE 0.00000004863 0.68249 46.2329
302 4USF 6UI 0.000001203 0.60288 46.2329
303 2VZ6 FEF 0.0000006469 0.59138 46.2329
304 4BFM ANP 0.00000001166 0.58761 46.2329
305 4WNP 3RJ 0.0000000000336 0.78755 46.3415
306 4D2S DYK 0.0000000002756 0.74571 46.4789
307 5A6N U7E 0.000001101 0.59392 46.6431
308 2YAK OSV 0.0000004779 0.46106 46.6667
309 3C0G 3AM 0.0000001025 0.62802 46.9178
310 4G31 0WH 0.000004421 0.41746 47.2603
311 3E8N VRA 0.00000003537 0.41686 47.2603
312 3E8N ATP 0.00000003537 0.41686 47.2603
313 2Z7R STU 0.000000001332 0.60827 47.9452
314 1Q8Y ADE 0.000001081 0.59924 47.9452
315 1Q8Y ADP 0.0000000245 0.57642 47.9452
316 2RIO ADP 0.0000000211 0.62184 48.2877
317 4NW6 2NS 0.000000003314 0.50207 48.2877
318 5DH3 5BS 0.00000002407 0.576 48.6301
319 3IGO ANP 0.0000005175 0.51569 48.6301
320 4C2V YJA 0.0000000996 0.48303 49.1228
321 3SXF BK5 0.000001066 0.42769 49.3151
322 2WEI VGG 0.000002974 0.54638 49.4774
323 3HZT J60 0.0000005557 0.6035 49.6575
324 2WU6 DKI 0.00000000128 0.60024 49.6575
325 5X8I SQZ 0.000000006431 0.62625 50
Pocket No.: 2; Query (leader) PDB : 1UNH; Ligand: IXM; Similar sites found: 22
This union binding pocket(no: 2) in the query (biounit: 1unh.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2AQX ATP 0.001721 0.40105 1.7301
2 2IDO TMP 0.01834 0.40388 2.68817
3 3ORQ ADP 0.002348 0.40116 2.91777
4 4B1L FRU 0.01682 0.40237 3.0303
5 1CT9 GLN 0.01454 0.40226 3.36538
6 2XZ9 PYR 0.0157 0.40609 3.76712
7 1WLJ U5P 0.01652 0.40342 6.87831
8 5C4L SIS 0.01969 0.4049 7.47664
9 3W0O ADP 0.00004674 0.41697 7.53425
10 3W0O HY0 0.00004674 0.41697 7.53425
11 4WAS COO 0.01768 0.41386 8.65385
12 4WAS NAP 0.02009 0.4111 8.65385
13 4LO2 GAL BGC 0.007035 0.42106 9.52381
14 2OMN IPH 0.0134 0.4033 9.61539
15 3O5N BR0 0.01445 0.41112 10.7143
16 3Q8U ADP 0.01833 0.40352 11.465
17 4I53 1C1 0.009773 0.40436 11.9863
18 4IP7 FLC 0.01807 0.40196 12.0192
19 3QDV NDG 0.03662 0.40292 14.6853
20 4AZW ATP 0.0003876 0.43365 16.8269
21 5T2Z 017 0.02344 0.4 18.1818
22 4RFM 3P6 0.0000003907 0.40397 39.4737
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