Receptor
PDB id Resolution Class Description Source Keywords
5X8I 1.9 Å EC: 2.7.12.1 CRYSTAL STRUCTURE OF HUMAN CLK1 IN COMPLEX WITH COMPOUND 25 HOMO SAPIENS INHIBITOR COMPLEX KINASE CLK1 TRANSFERASE-TRANSFERASE INCOMPLEX
Ref.: DISCOVERY OF POTENT AND SELECTIVE INHIBITORS OF CDC KINASE 1 (CLK1) AS A NEW CLASS OF AUTOPHAGY INDUCER J. MED. CHEM. V. 60 6337 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SQZ B:501;
A:501;
Valid;
Valid;
none;
none;
ic50 = 2 nM
409.415 C24 H16 F N5 O C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5X8I 1.9 Å EC: 2.7.12.1 CRYSTAL STRUCTURE OF HUMAN CLK1 IN COMPLEX WITH COMPOUND 25 HOMO SAPIENS INHIBITOR COMPLEX KINASE CLK1 TRANSFERASE-TRANSFERASE INCOMPLEX
Ref.: DISCOVERY OF POTENT AND SELECTIVE INHIBITORS OF CDC KINASE 1 (CLK1) AS A NEW CLASS OF AUTOPHAGY INDUCER J. MED. CHEM. V. 60 6337 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2VAG ic50 = 19.7 nM V25 C15 H13 Cl2 N3 O2 CCOC(=O)c1....
2 5X8I ic50 = 2 nM SQZ C24 H16 F N5 O C[C@@H](c1....
3 1Z57 - DBQ C11 H11 N5 O2 c1c[nH]c2c....
4 5J1W ic50 = 0.19 uM 6FB C11 H8 N4 c1cncc2c1c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2VAG ic50 = 19.7 nM V25 C15 H13 Cl2 N3 O2 CCOC(=O)c1....
2 5X8I ic50 = 2 nM SQZ C24 H16 F N5 O C[C@@H](c1....
3 1Z57 - DBQ C11 H11 N5 O2 c1c[nH]c2c....
4 5J1W ic50 = 0.19 uM 6FB C11 H8 N4 c1cncc2c1c....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2WU7 ic50 = 530 nM V25 C15 H13 Cl2 N3 O2 CCOC(=O)c1....
2 2WU6 ic50 = 29.2 nM DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
3 2VAG ic50 = 19.7 nM V25 C15 H13 Cl2 N3 O2 CCOC(=O)c1....
4 5X8I ic50 = 2 nM SQZ C24 H16 F N5 O C[C@@H](c1....
5 1Z57 - DBQ C11 H11 N5 O2 c1c[nH]c2c....
6 5J1W ic50 = 0.19 uM 6FB C11 H8 N4 c1cncc2c1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SQZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SQZ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5X8I; Ligand: SQZ; Similar sites found: 367
This union binding pocket(no: 1) in the query (biounit: 5x8i.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FCF GLY GLY GLY 0.01218 0.40033 1.15607
2 5I35 ANP 0.0000002042 0.60746 1.44509
3 4GYI ADP 0.000003617 0.56676 1.7341
4 4UWH JXM 0.001422 0.42297 1.7341
5 4FFG LBS 0.01139 0.41078 1.7341
6 4D4U FUC 0.02194 0.40049 1.90476
7 3X01 AMP 0.00008968 0.52602 2.02312
8 3ORQ ADP 0.001738 0.43222 2.02312
9 2GQS ADP 0.002819 0.42291 2.1097
10 2GQR ADP 0.002601 0.41545 2.1097
11 4LH7 1X8 0.001674 0.4551 2.16718
12 4XMF HSM 0.0003007 0.52132 2.17391
13 2VPQ ANP 0.00008339 0.49488 2.31214
14 2CFM AMP 0.004995 0.42445 2.31214
15 4KOT CE3 0.01722 0.40879 2.46914
16 3W0O HY0 0.0001384 0.41189 2.60116
17 3W0O ADP 0.0001384 0.41189 2.60116
18 4CS9 AMP 0.01275 0.42428 2.6455
19 3I0O ADP 0.000005611 0.56576 2.65487
20 3TM0 ANP 0.0001853 0.4013 2.6616
21 1ZP9 ATP 0.0000005733 0.59557 2.71318
22 1ZTH ADP 0.0000002456 0.55439 2.71318
23 3VOT ADP 0.0008069 0.42658 2.82353
24 1GSA ADP 0.03095 0.4051 2.8481
25 1IA9 ANP 0.0000658 0.48234 2.85714
26 3ETH ATP 0.0008128 0.44881 2.89017
27 1T36 ADP 0.001561 0.44485 2.89017
28 2YW2 ATP 0.0009736 0.42599 2.89017
29 2QK4 ATP 0.001641 0.40508 2.89017
30 1A99 PUT 0.01572 0.41064 2.90698
31 1I7L ATP 0.000147 0.48592 2.91262
32 1IOW ADP 0.0009979 0.46243 2.94118
33 1IOW PHY 0.0009979 0.46243 2.94118
34 5IQD GNP 0.000003676 0.5793 2.95082
35 5IQD RIO 0.000003978 0.5793 2.95082
36 5W2I ADP 0.0001045 0.49257 3.11284
37 5W2I I3P 0.0001045 0.49257 3.11284
38 3ZJX BOG 0.003745 0.444 3.11419
39 2AQX ATP 0.0004809 0.43349 3.11419
40 4XYM A12 0.0015 0.43299 3.17919
41 5TDF ADP 0.004569 0.41366 3.17919
42 5KO1 6UY 0.0000002123 0.58954 3.18021
43 5C1P DAL DAL 0.005823 0.41578 3.26797
44 5C1P ADP 0.002522 0.40849 3.26797
45 3AKK ADP 0.00005833 0.49485 3.38462
46 2Q7D ANP 0.00597 0.41682 3.46821
47 1TZD ADP 0.00002284 0.55556 3.63636
48 3E5P PPI 0.001671 0.41931 3.75723
49 4FE2 ADP 0.002795 0.4318 3.92157
50 3WVR AMP 0.0004152 0.46511 4.02685
51 4U98 ACP 0.0002832 0.46741 4.04624
52 2PUL ACP 0.001425 0.46011 4.04624
53 2Z49 AMG 0.002575 0.44433 4.04624
54 1M0W ANP 0.001155 0.42781 4.04624
55 4OYA 1VE 0.04258 0.40617 4.04624
56 4P8K 38C 0.04319 0.40465 4.04624
57 4CYI ATP 0.00001436 0.52414 4.33526
58 4AZW ATP 0.0005054 0.4559 4.33526
59 4AZT LY2 0.001769 0.44607 4.33526
60 4PU5 ANP 0.0003896 0.43515 4.62428
61 4ZGP ADP 0.0019 0.42142 4.77816
62 4O4F ATP 0.0001041 0.49464 4.83871
63 4O4F IHP 0.0001147 0.49464 4.83871
64 4B1L FRU 0.01825 0.4025 4.84848
65 2YRX AMP 0.002101 0.45519 5.20231
66 1EHI ADP 0.001617 0.42352 5.20231
67 5GZ9 ANP 0.00000001367 0.66381 5.2459
68 4OCJ NDG 0.000007364 0.5667 5.27704
69 4DFU QUE 0.00264 0.44826 5.2795
70 5C4L 4XR 0.000009246 0.55201 5.29595
71 5C4L SIS 0.00009285 0.50583 5.29595
72 5MRH Q9Z 0.002514 0.44387 5.49133
73 4WW7 AMP 0.000001697 0.56777 5.74713
74 1PK8 ATP 0.0001266 0.43555 5.78035
75 2WBV SIA 0.01493 0.4139 5.82011
76 5ML3 DL3 0.01686 0.40822 6.04027
77 4R78 AMP 0.000008148 0.56622 6.06936
78 2IF8 ADP 0.00001047 0.47441 6.06936
79 4OUC 5ID 0.000000002529 0.65821 6.16247
80 4FF8 14S 0.002347 0.40383 6.19195
81 3KMW ATP 0.00009931 0.4766 6.20155
82 2PYW ADP 0.000002805 0.55543 6.35838
83 1Q8A HCS 0.02179 0.40188 6.35838
84 4LRJ ANP 0.00000177 0.55106 6.50888
85 3RE4 TO1 0.000001664 0.52251 6.58915
86 4ZS4 ATP 0.00001781 0.50657 6.84039
87 2IO8 ADP 0.0000648 0.45134 6.93642
88 3TDV GDP 0.000001285 0.56453 7.18954
89 3DNT ATP 0.0002857 0.47298 7.22543
90 5DMZ ADP 0.000000003854 0.67447 7.51445
91 3PDT ADP 0.00008031 0.47724 7.63636
92 3Q60 ATP 0.000008131 0.52202 8.09249
93 3VPC ADP 0.0001458 0.45289 8.15603
94 5MW8 ATP 0.0000007164 0.58708 8.3815
95 4MV1 ADP 0.01008 0.41314 8.67052
96 2BKK ADP 0.00008613 0.46566 8.87574
97 5VZ0 ADP 0.0003661 0.45247 8.95954
98 2H92 C5P 0.01027 0.40532 9.13242
99 2V58 LZJ 0.00199 0.45859 9.24856
100 2VQD AP2 0.0002489 0.45113 9.24856
101 3K5I ADP 0.001371 0.43676 9.24856
102 3K5I AIR 0.004542 0.42921 9.24856
103 3UDZ ADP 0.000001204 0.56877 9.53347
104 2WTX UDP 0.02212 0.40159 9.53757
105 2WTX VDO 0.02323 0.40159 9.53757
106 4I94 ANP 0.0000003339 0.58026 9.66667
107 3KAL ADP 0.002466 0.44282 10.9827
108 3TII ANP 0.0007175 0.42519 11.2717
109 1OX5 1PR 0.01112 0.40731 11.2717
110 4Q5H ANP 0.0000002904 0.59267 11.5385
111 4OAV ACP 0.00000005415 0.63315 11.8497
112 1OBD ATP 0.001991 0.41299 12.0915
113 4YZN 4K5 0.000000001835 0.70273 12.892
114 4PZV J1D 0.008365 0.40711 13.0058
115 5LXT ACP 0.002289 0.40142 13.2948
116 5M06 ADP 0.000003252 0.5307 13.4058
117 5CKW ANP 0.000005766 0.50626 13.5838
118 1W2D ADP 0.0001017 0.5055 13.9623
119 1W2D 4IP 0.0007563 0.40221 13.9623
120 4P5Z Q7M 0.000001378 0.601 14.1274
121 3UIM ANP 0.00000004553 0.62773 14.7239
122 4OCV ANP 0.00001144 0.51383 14.7399
123 1U5R ATP 0.000000001037 0.6993 15.0289
124 5K2M ADP 0.0001874 0.48119 15.0943
125 5C03 AGS 0.00002666 0.50713 15.2047
126 4FL3 ANP 0.00000002109 0.65235 15.6069
127 4A4X JUP 0.0000003104 0.61096 15.7706
128 1U59 STU 0.000000001708 0.68987 16.0279
129 3GNI ATP 0.0000003193 0.59708 16.185
130 4WOV 3SM 0.00005914 0.51006 16.4038
131 3V4S ATP 0.002757 0.42525 16.7959
132 3V4S ADP 0.00874 0.41955 16.7959
133 3HAV ATP 0.0005227 0.40933 17.0569
134 3C1X CKK 0.00003973 0.4723 17.341
135 4G17 0VN 0.0000001217 0.58646 18.1818
136 4E93 GUI 0.000000013 0.52117 18.7861
137 2QLU ADE 0.000001195 0.44364 19.1083
138 5EOB 5QQ 0.000005306 0.59204 19.4357
139 3VPB ADP 0.00001686 0.53028 19.6429
140 4O1P ANP 0.00000001088 0.65483 20.5202
141 2CSN CKI 0.000005523 0.5945 22.5589
142 5TA6 79D 0.000004145 0.47553 23.4104
143 5VC5 96M 0.0000001039 0.63497 23.8754
144 5USZ SKE 0.0000005369 0.6025 23.8754
145 3FC2 IBI 0.0006441 0.49898 24.1791
146 1TQP ATP 0.000001113 0.51714 24.4681
147 2XVD AS6 0.0000001422 0.51484 24.8344
148 4IDT T28 0.000000007629 0.64985 24.8555
149 1VJY 460 0.000000002321 0.72044 25.4125
150 4WNK 453 0.000000002438 0.71446 25.4335
151 5HCY 60D 0.00000003065 0.68787 25.6798
152 1OPK P16 0.000005542 0.44672 25.7225
153 3PP0 03Q 0.00000005007 0.54052 25.7396
154 4OH4 ANP 0.00000002157 0.64187 26.1261
155 5LPZ ADP 0.00000009084 0.61466 26.506
156 4XH0 ADP 0.0000002454 0.65949 26.5896
157 3VRY B43 0.000001007 0.50582 26.5896
158 2OO8 RAJ 0.0006398 0.42561 26.8139
159 5UKL SIX 0.00000009547 0.63664 26.8786
160 3PVW QRX 0.00000001116 0.56489 26.8786
161 5W4W 9WG 0.00000003096 0.66612 26.8882
162 4KBA 1QM 0.00000007646 0.52579 26.8882
163 4Y85 499 0.000008286 0.52216 27.1084
164 5VCV 1N1 0.000000000583 0.6314 27.3312
165 3LXN MI1 0.000000002554 0.64933 27.673
166 2Y6O 1N1 0.000001042 0.57718 27.8351
167 5MJA 7O3 0.0000001268 0.58712 27.8689
168 2H8H H8H 0.0000001851 0.60119 28.0347
169 1Y57 MPZ 0.000002633 0.51143 28.0347
170 4UAL 3FV 0.01192 0.41839 28.0347
171 3KRL KRL 0.00000265 0.51783 28.0597
172 5NKB 8ZT 0.0000006405 0.43269 28.1046
173 2PVF ACP 0.00000000264 0.69162 28.1437
174 5LI1 ANP 0.0000000001585 0.74662 28.3237
175 3TXO 07U 0.00000000007981 0.71634 28.3237
176 5LI9 ACP 0.000000002456 0.66623 28.3237
177 4OTH DRN 0.0000000003848 0.72952 28.4457
178 5JGA 6KC 0.00000001081 0.51628 28.5714
179 4DC2 ADE 0.000000002249 0.55468 28.6127
180 3H9R TAK 0.000001207 0.60698 28.7879
181 5UIU 8CG 0.000000001611 0.72272 28.7926
182 2PZI AXX 0.000002848 0.5716 28.9017
183 4Y0X ADP 0.000000666 0.56275 28.9017
184 4CLI 5P8 0.0000001029 0.66269 29.052
185 4GJ3 0XP 0.000000005304 0.53465 29.1391
186 3QCQ 3Q0 0.00000002666 0.73398 29.1667
187 4Y93 746 0.0000007237 0.5162 29.1908
188 5JFS 6K0 0.0000001498 0.64993 29.2208
189 4YMJ 4EJ 0.00000008675 0.68198 29.2763
190 5LPB ADP 0.00000001581 0.59937 29.3919
191 2R5T ANP 0.000000001082 0.64676 29.4798
192 4U44 3D9 0.00000002605 0.6383 29.5181
193 5U6C 7YS 0.0000012 0.57446 29.5238
194 5DBX ANP 0.0000000455 0.5927 29.5732
195 5HES 032 0.0000006898 0.58512 29.6417
196 1K3A ACP 0.0000002098 0.56934 29.7659
197 3V8S 0HD 0.000000002308 0.69422 29.7688
198 2JDR L20 0.0000000008307 0.78144 29.8246
199 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0000000008307 0.78144 29.8246
200 5HVJ ANP 0.00000007779 0.68839 29.8413
201 5DH3 5BS 0.00000005392 0.5961 29.8413
202 4E1Z 0MX 0.0000000148 0.59406 29.8969
203 4BTK DTQ 0.00000007258 0.61891 29.9703
204 4CRL C1I 0.000000007978 0.69791 30.0578
205 3GQI ACP 0.000000002589 0.68199 30.0613
206 3NW7 LGV 0.000001772 0.60638 30.2932
207 5T8O 76Z 0.00000001672 0.61664 30.3468
208 4AT3 LTI 0.000001247 0.4763 30.4348
209 3ALN ANP 0.00000005639 0.6303 30.581
210 4Y8D 49J 0.00000002143 0.64199 30.5882
211 5CEO 50D 0.000003789 0.54406 30.6667
212 4M69 ANP 0.0000008402 0.57854 30.6709
213 3BU5 ATP 0.000000001614 0.69094 30.719
214 3RI1 3RH 0.0000001399 0.62665 30.9904
215 4N70 2HX 0.0000000021 0.75063 31.0976
216 4BKJ STI 0.0001114 0.4933 31.1111
217 4BHN BH9 0.00000001015 0.66316 31.1377
218 5UR1 YY9 0.000001561 0.60472 31.1897
219 3PLS ANP 0.00000001057 0.6449 31.2081
220 1RE8 BD2 0.0000000009372 0.76404 31.2139
221 2QCS ANP 0.0000000002859 0.74849 31.2139
222 3FHI ANP 0.0000000003247 0.74599 31.2139
223 3IDB ANP 0.0000000006118 0.64066 31.2139
224 4WB7 ATP 0.000000003113 0.50869 31.2139
225 2WQN ADP 0.0000002187 0.62368 31.2903
226 4WB6 ATP 0.000000000497 0.73762 31.5029
227 4ASE AV9 0.0000004475 0.6061 31.5029
228 2X2M X2M 0.00000000194 0.69834 31.5287
229 4K33 ACP 0.000000004916 0.67354 31.6923
230 5AX9 4KT 0.00000004364 0.62854 31.8182
231 3EKK GS2 0.0000001354 0.47051 31.9218
232 4EWH T77 0.000000006314 0.56248 32
233 2GU8 796 0.0000000005377 0.78919 32.0475
234 5LVP ATP 0.00000001758 0.61205 32.1543
235 3GGF GVD 0.00000002175 0.61921 32.2259
236 4L9I 8PR 0.0000001749 0.59295 32.3699
237 3CY2 MB9 0.000000001396 0.63125 32.4841
238 5DEY 59T 0.00000224 0.60918 32.6599
239 4NFN 2KC 0.000001192 0.55937 32.6861
240 4CSV STI 0.00002939 0.47026 32.7273
241 4G31 0WH 0.000001692 0.44583 32.7759
242 5JKG 6LF 0.000001641 0.59742 32.7974
243 3TKI S25 0.0000000006446 0.78217 32.8173
244 4XLI 1N1 0.0000005449 0.58846 32.8358
245 4TWP AXI 0.0000005068 0.63107 32.8413
246 3G5D 1N1 0.00000008277 0.68184 32.8671
247 2HY0 306 0.00000005277 0.65253 32.9193
248 3MVH WFE 0.0000000005277 0.74498 33.0409
249 3KRR DQX 0.00000001249 0.7314 33.2203
250 3ORK AGS 0.0000001855 0.53585 33.4405
251 2A19 ANP 0.0000007024 0.60898 33.4507
252 4U0I 0LI 0.000002787 0.57602 33.6508
253 4X7Q 3YR 0.0000000001186 0.74035 33.6538
254 3LXK MI1 0.0000000848 0.63898 33.945
255 3SXS PP2 0.0000003585 0.59486 33.9552
256 2HK5 1BM 0.00000008489 0.62246 34.0741
257 3VHE 42Q 0.00000002796 0.52024 34.104
258 5H2U 1N1 0.00000534 0.53756 34.4569
259 4AG8 AXI 0.0000002966 0.46012 34.4937
260 4L3L 5FI 0.000000004236 0.70345 34.5395
261 3DLS ADP 0.000000006858 0.63826 34.6269
262 5DA3 58V 0.0000001917 0.63599 34.717
263 2Z7R STU 0.000000000133 0.74999 34.891
264 3SRV S19 0.0000000001557 0.72131 35.0181
265 2OFV 242 0.0000003999 0.62273 35.0181
266 5HX8 66P 0.000000006795 0.57008 35.0993
267 4YZC STU 0.0000000007972 0.75135 35.2601
268 4XV1 904 0.000000147 0.63913 35.274
269 5UOX 8GY 0.00000001118 0.61012 35.4244
270 4IX4 ADP 0.00000272 0.55602 35.4286
271 3SLS ANP 0.00000004238 0.6389 35.5263
272 4F4P 0SB 0.000000206 0.66612 35.5311
273 1XJD STU 0.000000000151 0.71574 35.6522
274 4NW6 2NS 0.000000001521 0.53948 35.9133
275 5TO8 7FM 0.00000046 0.62516 36.1702
276 4USF 6UI 0.0001046 0.49255 36.1842
277 4EUU BX7 0.000000005077 0.5765 36.9906
278 4CQE CQE 0.0000003569 0.59782 37.0504
279 2RIO ADP 0.000000005132 0.65815 37.5723
280 5FBN 5WF 0.000001708 0.59146 37.6384
281 4I6H 1C8 0.00003694 0.50096 37.6623
282 2V7O DRN 0.0000000002172 0.6582 37.7976
283 2YAB AMP 0.000000001381 0.69772 37.8613
284 3C0G 3AM 0.000000007833 0.6236 37.8613
285 1BYG STU 0.00000001262 0.62999 38.4892
286 2WEL K88 0.00000007256 0.53425 38.5321
287 1ZY5 ANP 0.000002279 0.54493 38.6139
288 4NST ADP 0.000000001647 0.69056 39.0173
289 4JDI ANP 0.00000000451 0.67871 39.0173
290 4BFM ANP 0.0000000003913 0.68251 39.2216
291 5IH9 6BF 0.0000000644 0.65984 39.403
292 5EFQ ADP 0.0000000007162 0.70631 39.5954
293 4F9C 0SX 0.0000000002954 0.7101 39.8844
294 2VZ6 FEF 0.000000009179 0.68802 39.9361
295 3KN5 ANP 0.000000002187 0.64837 40
296 3E8N VRA 0.00000004478 0.44627 40.176
297 3E8N ATP 0.00000004478 0.44627 40.176
298 3HZT J60 0.00000002533 0.67808 40.4624
299 3IGO ANP 0.000000006999 0.61754 40.4624
300 3FHR P4O 0.00000002318 0.62457 40.4762
301 2F57 23D 0.000001638 0.57478 40.694
302 4WNP 3RJ 0.00000000448 0.70257 40.7666
303 4NM5 ADP 0.0001805 0.51405 41.0405
304 3GC8 B45 0.000000386 0.55065 41.3295
305 1CM8 ANP 0.00000007768 0.60738 41.6185
306 2VN9 GVD 0.0000000002557 0.65158 41.8605
307 4QTB 38Z 0.00000000006495 0.78382 41.9075
308 2JLD AG1 0.000000002413 0.72204 42.1965
309 3F7Z 34O 0.00000001474 0.64907 42.1965
310 3ZRM ZRM 0.00000002826 0.63676 42.1965
311 4H3Q ANP 0.0000000009589 0.71531 42.4855
312 4QMN DB8 0.00000004195 0.49237 42.5806
313 4H3P ANP 0.000000001466 0.69276 42.7746
314 4JR7 GNP 0.000000000608 0.70941 42.7808
315 4KS7 X4Z 0.0000001828 0.5549 42.8082
316 3M2W L8I 0.00000000002413 0.72219 42.8094
317 5BVE 4VG 0.000000001363 0.7766 43.0636
318 3E7O 35F 0.0000002792 0.62417 43.0636
319 3DAK ANP 0.00000003577 0.60968 43.1034
320 4C2V YJA 0.0000005225 0.48969 43.1579
321 1PHK ATP 0.00000000008203 0.75151 43.2886
322 3GC0 AMP 0.000003394 0.56804 43.465
323 1OUK 084 0.0000006156 0.67388 43.6416
324 5BYZ 4WE 0.0000007429 0.60249 43.9306
325 4LOO SB4 0.00001585 0.51698 43.9306
326 4C2W ANP 0.00000005264 0.57983 44.086
327 4FG8 ATP 0.00000001415 0.6568 44.127
328 3PE2 E1B 0.000000004752 0.73012 44.2136
329 3SXF BK5 0.00000006394 0.48526 44.2197
330 2XK9 XK9 0.001059 0.49361 44.7205
331 5G1X ADP 0.000000006289 0.67482 44.9123
332 5L8L ADP 0.00000004811 0.58376 44.9123
333 5EYK 5U5 0.000001443 0.58295 44.9275
334 2ZV2 609 0.000000001243 0.74078 44.9664
335 4UX9 ANP 0.0000000004122 0.68072 45.0867
336 3TTI KBI 0.00000001313 0.55429 45.0867
337 3PTG 932 0.0000002703 0.54404 45.0867
338 4WHZ 3NL 0.000001012 0.40369 45.0867
339 5LXM ADP 0.000000001888 0.67581 45.2297
340 4IZY 1J2 0.00000002152 0.61196 45.3757
341 2X4Z X4Z 0.0000008861 0.60474 45.6081
342 3OFM 4B0 0.0000000007862 0.664 45.7143
343 2PVN P63 0.00000000007948 0.77982 46.3068
344 5JZJ AN2 0.0000000003534 0.70634 46.4646
345 5EW9 5VC 0.00000741 0.61744 46.4945
346 5AWM ANP 0.00000001114 0.69518 46.5318
347 2B9H ADP 0.0000000001289 0.7429 46.8208
348 2B9I ADP 0.0000000001159 0.74077 46.8208
349 2B9F ADP 0.0000000003518 0.71977 46.8208
350 2B9J ADP 0.0000000001678 0.71962 46.8208
351 2YAK OSV 0.0000000006191 0.57508 47.0175
352 5EKO N17 0.000005088 0.54909 47.1098
353 2BPM 529 0.0000000006011 0.46947 47.5728
354 3E5A VX6 0.000004142 0.49226 47.7612
355 1Q8Y ADP 0.0000000001067 0.75047 47.9769
356 1Q8Y ADE 0.00000000918 0.59463 47.9769
357 5A6N U7E 0.00000002358 0.64368 48.4099
358 4CFU 2WC 0.000000001502 0.71333 48.5149
359 2WEI VGG 0.0000002538 0.61171 48.7805
360 4BCQ TJF 0.00000008677 0.57124 48.8372
361 4BCM T7Z 0.0000003765 0.52657 48.8372
362 4BCN T9N 0.000000008165 0.6904 49
363 5HQ0 LZ9 0.00000000001551 0.78741 49.0066
364 4AU8 Z3R 0.0000001679 0.56097 49.3243
365 2XMY CDK 0.0000001247 0.68276 49.3289
366 4IJP 1EH 0.000000001744 0.69692 49.422
367 5LMK 6ZK 0.000003868 0.52772 49.4949
368 1V0O INR 0.000000001049 0.68077 50
369 3O0G 3O0 0.0000000022 0.67289 50
370 1UNH IXM 0.000000006431 0.62625 50
Pocket No.: 2; Query (leader) PDB : 5X8I; Ligand: SQZ; Similar sites found: 24
This union binding pocket(no: 2) in the query (biounit: 5x8i.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IGI GMP 0.02058 0.40956 1.66113
2 5IGI ZIT 0.02158 0.40956 1.66113
3 2DKN NAI 0.02142 0.4019 2.7451
4 3A7R LAQ 0.029 0.40217 3.2641
5 4JD3 PLM 0.0195 0.41825 3.46821
6 4JD3 COA 0.01875 0.41825 3.46821
7 2ZYI STE 0.007466 0.41828 3.75723
8 5A3Y VAL LYS 0.009954 0.41655 4.62428
9 4N9I PCG 0.0372 0.40398 4.7619
10 4C2C ALA VAL PRO ALA 0.009082 0.40767 5.20231
11 5IH1 6BQ 0.0459 0.40238 5.62914
12 1JG3 ADN 0.01572 0.4084 5.95745
13 4GCZ FMN 0.008495 0.40717 6.35838
14 4FC7 NAP 0.0267 0.41047 6.4982
15 4FC7 COA 0.0267 0.41047 6.4982
16 3HRD MCN 0.02799 0.4019 6.6474
17 5A5W GUO 0.01991 0.41422 6.93642
18 5FI4 5XV 0.01194 0.4071 6.93642
19 5DXT 5H5 0.008831 0.40639 6.93642
20 1JXZ BCA 0.01253 0.41186 7.43494
21 1NZY BCA 0.01384 0.40978 7.43494
22 1F0X FAD 0.003302 0.45204 12.1387
23 5DJT FMN 0.007682 0.40918 12.4138
24 1JPA ANP 0.00000327 0.41488 25.9615
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