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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 5N1X | Kd = 689 uM | 8HH | C13 H13 N5 | CCNc1cc(nc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5N1X | Kd = 689 uM | 8HH | C13 H13 N5 | CCNc1cc(nc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8HH | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CFK | 0.9472 |
2 | 57D | 0.9456 |
3 | IK1 | 0.9421 |
4 | P9I | 0.9385 |
5 | 9KQ | 0.9368 |
6 | IRG | 0.9365 |
7 | F40 | 0.9316 |
8 | 3JC | 0.9315 |
9 | 5E1 | 0.9308 |
10 | 7L4 | 0.9297 |
11 | 36I | 0.9276 |
12 | DXK | 0.9276 |
13 | 553 | 0.9263 |
14 | L3L | 0.9242 |
15 | 5DN | 0.9226 |
16 | AGI | 0.9220 |
17 | ZRL | 0.9220 |
18 | AJD | 0.9217 |
19 | 7NU | 0.9202 |
20 | AVX | 0.9197 |
21 | V2Z | 0.9193 |
22 | 4F8 | 0.9187 |
23 | 8G6 | 0.9166 |
24 | 6TJ | 0.9154 |
25 | NKI | 0.9142 |
26 | 07U | 0.9141 |
27 | 5P3 | 0.9141 |
28 | 6PB | 0.9136 |
29 | RGK | 0.9135 |
30 | 9CE | 0.9134 |
31 | 2GQ | 0.9132 |
32 | 25O | 0.9130 |
33 | 1AV | 0.9129 |
34 | BBY | 0.9125 |
35 | BQ5 | 0.9120 |
36 | 1V1 | 0.9111 |
37 | DNQ | 0.9103 |
38 | 20D | 0.9102 |
39 | DFL | 0.9098 |
40 | 697 | 0.9097 |
41 | P4L | 0.9096 |
42 | JF8 | 0.9095 |
43 | 2LX | 0.9094 |
44 | ABJ | 0.9082 |
45 | 5NN | 0.9081 |
46 | A73 | 0.9080 |
47 | 5E2 | 0.9071 |
48 | WUB | 0.9044 |
49 | WLH | 0.9041 |
50 | 2D2 | 0.9036 |
51 | 1V3 | 0.9033 |
52 | SZ5 | 0.9030 |
53 | 78Y | 0.9026 |
54 | Q17 | 0.9024 |
55 | 3GX | 0.9024 |
56 | SXX | 0.9023 |
57 | 25F | 0.9019 |
58 | 7ZL | 0.9018 |
59 | AO6 | 0.9018 |
60 | ZRK | 0.9016 |
61 | 3C3 | 0.9016 |
62 | LU2 | 0.9015 |
63 | MBP | 0.9013 |
64 | K75 | 0.9011 |
65 | HKK | 0.9011 |
66 | DFV | 0.9010 |
67 | 0SY | 0.9010 |
68 | 3F4 | 0.9009 |
69 | 96R | 0.9006 |
70 | 9F8 | 0.9000 |
71 | HMD | 0.8998 |
72 | LJ3 | 0.8994 |
73 | 3D8 | 0.8984 |
74 | 1V4 | 0.8979 |
75 | BU7 | 0.8977 |
76 | ZO0 | 0.8971 |
77 | 56N | 0.8953 |
78 | B21 | 0.8952 |
79 | 4FF | 0.8950 |
80 | IDD | 0.8949 |
81 | DDC | 0.8948 |
82 | KMP | 0.8948 |
83 | 2GE | 0.8946 |
84 | AH3 | 0.8938 |
85 | JT2 | 0.8932 |
86 | EVO | 0.8931 |
87 | GT1 | 0.8930 |
88 | BGU | 0.8925 |
89 | B4L | 0.8925 |
90 | CC6 | 0.8923 |
91 | 6DQ | 0.8922 |
92 | MUK | 0.8919 |
93 | 5KN | 0.8919 |
94 | FSZ | 0.8918 |
95 | B2T | 0.8917 |
96 | LUM | 0.8916 |
97 | 3Y7 | 0.8915 |
98 | CNI | 0.8915 |
99 | B4O | 0.8914 |
100 | 53X | 0.8912 |
101 | S60 | 0.8909 |
102 | O82 | 0.8907 |
103 | ALH | 0.8905 |
104 | LR2 | 0.8901 |
105 | W8L | 0.8901 |
106 | BZE | 0.8899 |
107 | CDJ | 0.8898 |
108 | LF5 | 0.8898 |
109 | 6NZ | 0.8897 |
110 | 509 | 0.8895 |
111 | 6J3 | 0.8893 |
112 | U19 | 0.8891 |
113 | TR4 | 0.8890 |
114 | MXD | 0.8890 |
115 | M3W | 0.8890 |
116 | E9L | 0.8890 |
117 | M3E | 0.8889 |
118 | ANC | 0.8889 |
119 | VKE | 0.8889 |
120 | SAK | 0.8885 |
121 | H2W | 0.8884 |
122 | VT3 | 0.8883 |
123 | TQ1 | 0.8879 |
124 | 5I5 | 0.8879 |
125 | OX2 | 0.8878 |
126 | 8M5 | 0.8878 |
127 | NU3 | 0.8876 |
128 | 1X8 | 0.8875 |
129 | 5E5 | 0.8875 |
130 | 5E4 | 0.8872 |
131 | XEZ | 0.8870 |
132 | SGW | 0.8869 |
133 | 9JT | 0.8868 |
134 | JRO | 0.8865 |
135 | 4GU | 0.8862 |
136 | 90J | 0.8857 |
137 | GAT | 0.8856 |
138 | MUR | 0.8854 |
139 | ZSP | 0.8854 |
140 | MHB | 0.8852 |
141 | 2GD | 0.8847 |
142 | ZO9 | 0.8845 |
143 | TLF | 0.8843 |
144 | 78P | 0.8841 |
145 | HM5 | 0.8839 |
146 | 0H5 | 0.8839 |
147 | PBG | 0.8836 |
148 | 244 | 0.8835 |
149 | IA2 | 0.8834 |
150 | 1FL | 0.8829 |
151 | A04 | 0.8827 |
152 | 8WZ | 0.8827 |
153 | MR6 | 0.8825 |
154 | 6QF | 0.8823 |
155 | 28A | 0.8816 |
156 | C4E | 0.8812 |
157 | FER | 0.8812 |
158 | B23 | 0.8808 |
159 | 6QT | 0.8807 |
160 | CR1 | 0.8807 |
161 | 3WL | 0.8807 |
162 | 5WT | 0.8805 |
163 | CQU | 0.8805 |
164 | BJ4 | 0.8805 |
165 | S98 | 0.8803 |
166 | HO4 | 0.8801 |
167 | NRA | 0.8800 |
168 | LL1 | 0.8799 |
169 | 692 | 0.8792 |
170 | K8W | 0.8792 |
171 | JCZ | 0.8791 |
172 | 2WU | 0.8788 |
173 | KWB | 0.8786 |
174 | CMG | 0.8786 |
175 | F2W | 0.8785 |
176 | S1D | 0.8784 |
177 | GJK | 0.8781 |
178 | S0K | 0.8778 |
179 | LI4 | 0.8778 |
180 | ROL | 0.8777 |
181 | 5F8 | 0.8777 |
182 | 6JJ | 0.8775 |
183 | ID8 | 0.8773 |
184 | NPL | 0.8772 |
185 | NTF | 0.8768 |
186 | H32 | 0.8767 |
187 | 08C | 0.8765 |
188 | A63 | 0.8763 |
189 | 4GP | 0.8762 |
190 | H4B | 0.8762 |
191 | FF2 | 0.8759 |
192 | SNY | 0.8759 |
193 | 4G2 | 0.8756 |
194 | 0UL | 0.8753 |
195 | 196 | 0.8750 |
196 | H35 | 0.8749 |
197 | JR2 | 0.8741 |
198 | CX6 | 0.8740 |
199 | 2J1 | 0.8737 |
200 | MFR | 0.8734 |
201 | 4UB | 0.8731 |
202 | AUY | 0.8728 |
203 | 344 | 0.8727 |
204 | 363 | 0.8727 |
205 | UN4 | 0.8726 |
206 | 5B2 | 0.8724 |
207 | NFK | 0.8724 |
208 | 57Q | 0.8723 |
209 | X48 | 0.8722 |
210 | 4R0 | 0.8722 |
211 | P1T | 0.8721 |
212 | FYJ | 0.8716 |
213 | AVA | 0.8715 |
214 | 982 | 0.8715 |
215 | IDZ | 0.8713 |
216 | LJW | 0.8713 |
217 | U13 | 0.8713 |
218 | F18 | 0.8712 |
219 | PD6 | 0.8711 |
220 | FYR | 0.8710 |
221 | 96U | 0.8710 |
222 | MNX | 0.8710 |
223 | NW1 | 0.8709 |
224 | ZAR | 0.8708 |
225 | GG5 | 0.8707 |
226 | 5F3 | 0.8706 |
227 | HRD | 0.8705 |
228 | A5H | 0.8705 |
229 | PIQ | 0.8705 |
230 | 27F | 0.8704 |
231 | 91F | 0.8704 |
232 | 5FL | 0.8703 |
233 | 7D0 | 0.8700 |
234 | QC1 | 0.8698 |
235 | X11 | 0.8696 |
236 | IKY | 0.8696 |
237 | JTA | 0.8696 |
238 | 4QX | 0.8694 |
239 | 6XC | 0.8693 |
240 | 1UZ | 0.8691 |
241 | HA6 | 0.8690 |
242 | YEX | 0.8689 |
243 | SGV | 0.8689 |
244 | 6VY | 0.8688 |
245 | LCS | 0.8685 |
246 | MR4 | 0.8684 |
247 | 6BD | 0.8683 |
248 | VBC | 0.8682 |
249 | PLP | 0.8681 |
250 | 6BK | 0.8681 |
251 | N7I | 0.8681 |
252 | ITE | 0.8680 |
253 | GNV | 0.8679 |
254 | 2NJ | 0.8676 |
255 | F5C | 0.8674 |
256 | 9GP | 0.8673 |
257 | NE2 | 0.8671 |
258 | 833 | 0.8671 |
259 | BHF | 0.8670 |
260 | QR2 | 0.8669 |
261 | AZC | 0.8669 |
262 | 4AU | 0.8667 |
263 | NIF | 0.8667 |
264 | KLV | 0.8667 |
265 | TH1 | 0.8665 |
266 | YE7 | 0.8662 |
267 | ETS | 0.8662 |
268 | 6ZW | 0.8661 |
269 | JSX | 0.8661 |
270 | A6W | 0.8660 |
271 | II4 | 0.8660 |
272 | VAR | 0.8654 |
273 | 9XZ | 0.8653 |
274 | 362 | 0.8652 |
275 | ELH | 0.8651 |
276 | EDZ | 0.8651 |
277 | RUG | 0.8651 |
278 | 8NX | 0.8649 |
279 | PLG | 0.8647 |
280 | SQM | 0.8646 |
281 | 2QU | 0.8645 |
282 | GDK | 0.8643 |
283 | X0W | 0.8642 |
284 | O9Q | 0.8633 |
285 | XCG | 0.8631 |
286 | JP2 | 0.8630 |
287 | 47V | 0.8629 |
288 | IZA | 0.8628 |
289 | OAI | 0.8627 |
290 | PLI | 0.8625 |
291 | 6ZG | 0.8625 |
292 | 38E | 0.8625 |
293 | CL9 | 0.8625 |
294 | 3WK | 0.8624 |
295 | 47N | 0.8623 |
296 | 1V8 | 0.8621 |
297 | AH6 | 0.8620 |
298 | 7I2 | 0.8620 |
299 | AH9 | 0.8619 |
300 | AY4 | 0.8616 |
301 | 1TM | 0.8613 |
302 | 5V7 | 0.8610 |
303 | IMK | 0.8608 |
304 | Q0K | 0.8608 |
305 | ESI | 0.8607 |
306 | H70 | 0.8607 |
307 | G6P | 0.8601 |
308 | 0DF | 0.8599 |
309 | UI2 | 0.8598 |
310 | KF5 | 0.8596 |
311 | 5TZ | 0.8591 |
312 | HH6 | 0.8588 |
313 | 1Q4 | 0.8586 |
314 | TMG | 0.8584 |
315 | BUX | 0.8584 |
316 | 5WM | 0.8582 |
317 | UAY | 0.8581 |
318 | JY4 | 0.8581 |
319 | JNW | 0.8580 |
320 | GLY PLP | 0.8579 |
321 | BZC | 0.8576 |
322 | 2AN | 0.8576 |
323 | GNG | 0.8575 |
324 | BIK | 0.8574 |
325 | CZ0 | 0.8573 |
326 | VM1 | 0.8570 |
327 | 34L | 0.8565 |
328 | BPY | 0.8564 |
329 | 5F5 | 0.8559 |
330 | CHQ | 0.8558 |
331 | W29 | 0.8558 |
332 | SU9 | 0.8557 |
333 | TDH | 0.8555 |
334 | 7CU | 0.8555 |
335 | MTS | 0.8553 |
336 | GWD | 0.8553 |
337 | 0OK | 0.8551 |
338 | HFT | 0.8550 |
339 | 5WW | 0.8550 |
340 | YO5 | 0.8543 |
341 | BP7 | 0.8541 |
342 | PLP GLY | 0.8538 |
343 | 0JO | 0.8528 |
344 | 2PW | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 5n1x.bio3) has 4 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1EE0 | CAA | 5.9322 |
2 | 1A05 | IPM | 9.32203 |
This union binding pocket(no: 2) in the query (biounit: 5n1x.bio2) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5n1x.bio2) has 3 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5n1x.bio4) has 3 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |