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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 4MJR | Ki = 283 uM | 0LA | C15 H12 Cl N O2 | C[C@@H](c1.... |
2 | 4N94 | - | 2HO | C7 H5 F2 N O | c1cc(c(cc1.... |
3 | 4N98 | Ki = 280 uM | 4FC | C13 H9 F O2 | c1cc(ccc1c.... |
4 | 4N95 | - | 2HQ | C8 H4 Cl N O2 | c1cc2c(cc1.... |
5 | 4MJQ | Ki = 193 uM | 27R | C15 H12 Br N O3 | c1cc(c(c(c.... |
6 | 3D1E | - | THR LEU MET THR GLY GLN LEU GLY LEU PHE | n/a | n/a |
7 | 6FVM | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
8 | 3D1G | Ki ~ 10 uM | 322 | C14 H13 Br2 N O5 S2 | CCOc1cc(c(.... |
9 | 4K3O | Kd = 36.7 uM | ACE GLN ALA ASP LEU PHE | n/a | n/a |
10 | 4K3L | ic50 = 1.1 mM | ACE LEU PHE | n/a | n/a |
11 | 4N9A | Ki = 64 uM | 2J2 | C13 H12 Cl N O2 | c1cc2c(cc1.... |
12 | 4K3K | ic50 = 4.44 mM | SFK | C15 H21 N O3 | CC(C)CCC(=.... |
13 | 3D1F | - | SER GLU GLN VAL GLU LEU GLU PHE ASP 323 | n/a | n/a |
14 | 4K3M | Kd = 281.2 uM | ALA LEU ASP LEU PHE | n/a | n/a |
15 | 4K3R | Kd = 259.1 uM | ACE GLN LEU ASP LEU ALA | n/a | n/a |
16 | 4K3Q | Kd = 115.1 uM | ACE GLN LEU ASP ALA PHE | n/a | n/a |
17 | 4K3P | Kd = 1.6 uM | ACE GLN LEU ALA LEU PHE | n/a | n/a |
18 | 4N99 | Ki = 216 uM | 2J1 | C13 H12 Cl N O2 | c1c2c(cc(c.... |
19 | 4MJP | Ki = 131 uM | 27O | C19 H22 O2 | C[C@H](c1c.... |
20 | 6FVL | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
21 | 4N96 | - | 6NI | C7 H5 N3 O2 | c1cc2cn[nH.... |
22 | 4N97 | - | 2HU | C8 H6 N2 O2 | c1cc2c(cc[.... |
23 | 4TSZ | Kd = 99 nM | ACE GLN ALC ASP LEU ZCL | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 4MJR | Ki = 283 uM | 0LA | C15 H12 Cl N O2 | C[C@@H](c1.... |
2 | 4N94 | - | 2HO | C7 H5 F2 N O | c1cc(c(cc1.... |
3 | 4N98 | Ki = 280 uM | 4FC | C13 H9 F O2 | c1cc(ccc1c.... |
4 | 4N95 | - | 2HQ | C8 H4 Cl N O2 | c1cc2c(cc1.... |
5 | 4MJQ | Ki = 193 uM | 27R | C15 H12 Br N O3 | c1cc(c(c(c.... |
6 | 3D1E | - | THR LEU MET THR GLY GLN LEU GLY LEU PHE | n/a | n/a |
7 | 6FVM | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
8 | 3D1G | Ki ~ 10 uM | 322 | C14 H13 Br2 N O5 S2 | CCOc1cc(c(.... |
9 | 4K3O | Kd = 36.7 uM | ACE GLN ALA ASP LEU PHE | n/a | n/a |
10 | 4K3L | ic50 = 1.1 mM | ACE LEU PHE | n/a | n/a |
11 | 4N9A | Ki = 64 uM | 2J2 | C13 H12 Cl N O2 | c1cc2c(cc1.... |
12 | 4K3K | ic50 = 4.44 mM | SFK | C15 H21 N O3 | CC(C)CCC(=.... |
13 | 3D1F | - | SER GLU GLN VAL GLU LEU GLU PHE ASP 323 | n/a | n/a |
14 | 4K3M | Kd = 281.2 uM | ALA LEU ASP LEU PHE | n/a | n/a |
15 | 4K3R | Kd = 259.1 uM | ACE GLN LEU ASP LEU ALA | n/a | n/a |
16 | 4K3Q | Kd = 115.1 uM | ACE GLN LEU ASP ALA PHE | n/a | n/a |
17 | 4K3P | Kd = 1.6 uM | ACE GLN LEU ALA LEU PHE | n/a | n/a |
18 | 4N99 | Ki = 216 uM | 2J1 | C13 H12 Cl N O2 | c1c2c(cc(c.... |
19 | 4MJP | Ki = 131 uM | 27O | C19 H22 O2 | C[C@H](c1c.... |
20 | 6FVL | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
21 | 4N96 | - | 6NI | C7 H5 N3 O2 | c1cc2cn[nH.... |
22 | 4N97 | - | 2HU | C8 H6 N2 O2 | c1cc2c(cc[.... |
23 | 4TSZ | Kd = 99 nM | ACE GLN ALC ASP LEU ZCL | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2J1 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LUM | 0.9454 |
2 | NDD | 0.9446 |
3 | 0SY | 0.9440 |
4 | P4T | 0.9419 |
5 | 1DR | 0.9409 |
6 | 6FB | 0.9398 |
7 | MR6 | 0.9395 |
8 | LR8 | 0.9389 |
9 | ZRK | 0.9384 |
10 | CNI | 0.9349 |
11 | PRL | 0.9349 |
12 | 9CE | 0.9349 |
13 | 2D2 | 0.9348 |
14 | H4B | 0.9329 |
15 | 3VQ | 0.9312 |
16 | HNT | 0.9311 |
17 | MR4 | 0.9303 |
18 | ZSP | 0.9303 |
19 | S0D | 0.9291 |
20 | FYR | 0.9281 |
21 | X2M | 0.9274 |
22 | FQX | 0.9272 |
23 | 4FF | 0.9268 |
24 | LFN | 0.9265 |
25 | HRM | 0.9258 |
26 | 6P3 | 0.9256 |
27 | NRA | 0.9249 |
28 | 28A | 0.9248 |
29 | NKI | 0.9244 |
30 | 0FR | 0.9236 |
31 | 0UL | 0.9234 |
32 | F40 | 0.9228 |
33 | 3QV | 0.9226 |
34 | 549 | 0.9217 |
35 | XCG | 0.9216 |
36 | VC3 | 0.9206 |
37 | ZRL | 0.9202 |
38 | S60 | 0.9202 |
39 | 5GV | 0.9198 |
40 | 2PV | 0.9197 |
41 | WLH | 0.9197 |
42 | 5TY | 0.9196 |
43 | BGU | 0.9195 |
44 | 3D8 | 0.9194 |
45 | 4AU | 0.9194 |
46 | G14 | 0.9192 |
47 | S98 | 0.9191 |
48 | 78Y | 0.9184 |
49 | A5Q | 0.9184 |
50 | TMG | 0.9184 |
51 | 20D | 0.9181 |
52 | 9JT | 0.9177 |
53 | 1EB | 0.9168 |
54 | 2PK | 0.9163 |
55 | 2WU | 0.9160 |
56 | OLU | 0.9156 |
57 | 6H2 | 0.9156 |
58 | DFL | 0.9151 |
59 | 1V1 | 0.9148 |
60 | 4CN | 0.9144 |
61 | JCZ | 0.9144 |
62 | JGB | 0.9143 |
63 | PIQ | 0.9143 |
64 | X48 | 0.9135 |
65 | 3VS | 0.9132 |
66 | MR5 | 0.9130 |
67 | ANC | 0.9127 |
68 | ZZA | 0.9127 |
69 | E3X | 0.9126 |
70 | 6QF | 0.9125 |
71 | LOT | 0.9121 |
72 | 18E | 0.9120 |
73 | QIV | 0.9119 |
74 | 5VU | 0.9112 |
75 | TCR | 0.9112 |
76 | EQU | 0.9110 |
77 | N0Z | 0.9106 |
78 | ITE | 0.9102 |
79 | A73 | 0.9100 |
80 | JMG | 0.9094 |
81 | A9B | 0.9093 |
82 | 833 | 0.9089 |
83 | YZ9 | 0.9085 |
84 | 5E5 | 0.9085 |
85 | DT7 | 0.9082 |
86 | IDZ | 0.9078 |
87 | K7H | 0.9073 |
88 | II4 | 0.9072 |
89 | 2QU | 0.9071 |
90 | D9Z | 0.9070 |
91 | 4ZF | 0.9070 |
92 | KLS | 0.9065 |
93 | 5SJ | 0.9063 |
94 | CX6 | 0.9059 |
95 | HHS | 0.9058 |
96 | FCD | 0.9058 |
97 | YE7 | 0.9052 |
98 | X0U | 0.9050 |
99 | ODK | 0.9050 |
100 | M83 | 0.9049 |
101 | JBZ | 0.9046 |
102 | 39Z | 0.9045 |
103 | P4L | 0.9044 |
104 | 5AD | 0.9044 |
105 | 1XS | 0.9043 |
106 | 4I8 | 0.9043 |
107 | EST | 0.9042 |
108 | LR2 | 0.9038 |
109 | 397 | 0.9038 |
110 | 6ZW | 0.9036 |
111 | SZ5 | 0.9036 |
112 | J3Z | 0.9034 |
113 | 25F | 0.9030 |
114 | 344 | 0.9028 |
115 | 245 | 0.9025 |
116 | AJY | 0.9025 |
117 | DNQ | 0.9025 |
118 | ZHA | 0.9024 |
119 | GEN | 0.9020 |
120 | BIH | 0.9017 |
121 | VUP | 0.9017 |
122 | BIO | 0.9016 |
123 | 3L1 | 0.9016 |
124 | FZM | 0.9014 |
125 | L2K | 0.9013 |
126 | WV7 | 0.9013 |
127 | 8D6 | 0.9011 |
128 | KLE | 0.9007 |
129 | A5H | 0.9006 |
130 | 3F4 | 0.9004 |
131 | IQZ | 0.9002 |
132 | AN3 | 0.9002 |
133 | SJK | 0.8998 |
134 | 1ZC | 0.8998 |
135 | A6W | 0.8996 |
136 | 0NJ | 0.8995 |
137 | 4GU | 0.8993 |
138 | BMZ | 0.8992 |
139 | 9NB | 0.8992 |
140 | JF8 | 0.8992 |
141 | JY4 | 0.8990 |
142 | M3F | 0.8989 |
143 | BIK | 0.8989 |
144 | TID | 0.8988 |
145 | 120 | 0.8986 |
146 | OQC | 0.8985 |
147 | JRO | 0.8984 |
148 | YE6 | 0.8983 |
149 | C4E | 0.8982 |
150 | 4HB | 0.8981 |
151 | 7FZ | 0.8981 |
152 | WA1 | 0.8981 |
153 | AQN | 0.8980 |
154 | I2E | 0.8979 |
155 | BP7 | 0.8979 |
156 | THA | 0.8978 |
157 | WG8 | 0.8978 |
158 | 0LA | 0.8975 |
159 | 363 | 0.8973 |
160 | HRD | 0.8973 |
161 | 3VX | 0.8973 |
162 | 2P3 | 0.8970 |
163 | 6MW | 0.8970 |
164 | B1J | 0.8968 |
165 | 2GQ | 0.8968 |
166 | 5OR | 0.8967 |
167 | Y3L | 0.8967 |
168 | 5ER | 0.8965 |
169 | 2K8 | 0.8965 |
170 | CR4 | 0.8965 |
171 | FHV | 0.8964 |
172 | 0OK | 0.8963 |
173 | GNY | 0.8963 |
174 | EES | 0.8961 |
175 | PUE | 0.8956 |
176 | 1V8 | 0.8956 |
177 | 1YL | 0.8954 |
178 | SQM | 0.8949 |
179 | A63 | 0.8948 |
180 | AJ1 | 0.8947 |
181 | IQ5 | 0.8947 |
182 | WS7 | 0.8946 |
183 | 6BK | 0.8945 |
184 | 72D | 0.8943 |
185 | E6Q | 0.8943 |
186 | JAH | 0.8942 |
187 | 801 | 0.8942 |
188 | 7FU | 0.8940 |
189 | CHQ | 0.8939 |
190 | 47V | 0.8937 |
191 | J1K | 0.8933 |
192 | 6SD | 0.8933 |
193 | 9KZ | 0.8932 |
194 | 5XL | 0.8931 |
195 | N91 | 0.8929 |
196 | 92O | 0.8927 |
197 | AH9 | 0.8925 |
198 | EAE | 0.8920 |
199 | 5TT | 0.8918 |
200 | Q9T | 0.8918 |
201 | XYP XYP | 0.8918 |
202 | DX2 | 0.8917 |
203 | PTB | 0.8917 |
204 | AH6 | 0.8916 |
205 | 4G2 | 0.8914 |
206 | 8V8 | 0.8913 |
207 | GNM | 0.8913 |
208 | 6VW | 0.8912 |
209 | EV2 | 0.8911 |
210 | AP6 | 0.8909 |
211 | OTA | 0.8908 |
212 | WS6 | 0.8908 |
213 | U13 | 0.8907 |
214 | DX7 | 0.8907 |
215 | 5NN | 0.8905 |
216 | HBI | 0.8904 |
217 | 68A | 0.8904 |
218 | EZL | 0.8903 |
219 | 9R5 | 0.8903 |
220 | NEU | 0.8902 |
221 | BZJ | 0.8901 |
222 | JWS | 0.8900 |
223 | E1K | 0.8897 |
224 | 3R4 | 0.8897 |
225 | LO1 | 0.8894 |
226 | RA7 | 0.8893 |
227 | FF2 | 0.8893 |
228 | RKV | 0.8891 |
229 | DXK | 0.8891 |
230 | 4BY | 0.8888 |
231 | KMY | 0.8886 |
232 | 3J8 | 0.8886 |
233 | GF4 | 0.8884 |
234 | GVY | 0.8884 |
235 | CK2 | 0.8883 |
236 | RDT | 0.8881 |
237 | CUE | 0.8877 |
238 | DPT | 0.8872 |
239 | KLV | 0.8869 |
240 | RHN | 0.8868 |
241 | JTA | 0.8866 |
242 | ANF | 0.8866 |
243 | M4N | 0.8865 |
244 | M78 | 0.8863 |
245 | GNV | 0.8862 |
246 | AJG | 0.8862 |
247 | EE8 | 0.8861 |
248 | 1EL | 0.8860 |
249 | 7G2 | 0.8860 |
250 | 3ZB | 0.8856 |
251 | AZN | 0.8856 |
252 | UAY | 0.8856 |
253 | 122 | 0.8853 |
254 | B21 | 0.8852 |
255 | F18 | 0.8851 |
256 | BHS | 0.8850 |
257 | ZEC | 0.8849 |
258 | 2QC | 0.8845 |
259 | BPY | 0.8843 |
260 | 1V3 | 0.8843 |
261 | 6TJ | 0.8842 |
262 | 0NX | 0.8842 |
263 | CZ0 | 0.8841 |
264 | MUK | 0.8840 |
265 | 0DF | 0.8840 |
266 | XYS XYS | 0.8840 |
267 | 2FX | 0.8839 |
268 | 4BL | 0.8838 |
269 | 7EH | 0.8837 |
270 | 5TZ | 0.8836 |
271 | J38 | 0.8835 |
272 | FBC | 0.8834 |
273 | 3D1 | 0.8834 |
274 | 1AJ | 0.8833 |
275 | V1T | 0.8833 |
276 | AA | 0.8832 |
277 | PMP | 0.8831 |
278 | IS2 | 0.8829 |
279 | 6ZE | 0.8828 |
280 | 2L1 | 0.8826 |
281 | 4UM | 0.8825 |
282 | 8NB | 0.8825 |
283 | 9UL | 0.8824 |
284 | LIG | 0.8824 |
285 | 5H6 | 0.8824 |
286 | NPX | 0.8823 |
287 | T1N | 0.8822 |
288 | X6W | 0.8822 |
289 | IXM | 0.8821 |
290 | 17M | 0.8821 |
291 | 2JX | 0.8821 |
292 | A7H | 0.8820 |
293 | IIH | 0.8820 |
294 | L22 | 0.8816 |
295 | DT9 | 0.8816 |
296 | F02 | 0.8815 |
297 | UNJ | 0.8814 |
298 | 5V7 | 0.8813 |
299 | L03 | 0.8811 |
300 | EMO | 0.8811 |
301 | RSV | 0.8810 |
302 | 8SK | 0.8809 |
303 | GO2 | 0.8809 |
304 | MD6 | 0.8808 |
305 | P7V | 0.8808 |
306 | 6KT | 0.8808 |
307 | GNJ | 0.8806 |
308 | NIF | 0.8806 |
309 | KYN | 0.8806 |
310 | BQ2 | 0.8805 |
311 | K44 | 0.8805 |
312 | MMJ | 0.8805 |
313 | 7MW | 0.8804 |
314 | KF5 | 0.8804 |
315 | GW3 | 0.8800 |
316 | WSD | 0.8798 |
317 | 1HN | 0.8797 |
318 | 9TF | 0.8796 |
319 | 3GX | 0.8795 |
320 | 272 | 0.8795 |
321 | PQM | 0.8795 |
322 | SWX | 0.8792 |
323 | 1V4 | 0.8789 |
324 | 121 | 0.8787 |
325 | NK5 | 0.8787 |
326 | PH2 | 0.8786 |
327 | E7S | 0.8785 |
328 | AOY | 0.8785 |
329 | 3UG | 0.8785 |
330 | L1T | 0.8784 |
331 | GJP | 0.8783 |
332 | Z21 | 0.8783 |
333 | NPS | 0.8782 |
334 | 0K7 | 0.8781 |
335 | F2W | 0.8776 |
336 | EUE | 0.8775 |
337 | JA5 | 0.8773 |
338 | BX4 | 0.8773 |
339 | 4RU | 0.8770 |
340 | 26C | 0.8769 |
341 | 0LO | 0.8766 |
342 | 1QV | 0.8764 |
343 | TRP | 0.8763 |
344 | KU1 | 0.8762 |
345 | HBO | 0.8762 |
346 | 124 | 0.8762 |
347 | 8XL | 0.8761 |
348 | 8CC | 0.8760 |
349 | 2J2 | 0.8758 |
350 | 4AB | 0.8757 |
351 | 52F | 0.8757 |
352 | XYS XYP | 0.8753 |
353 | 6X9 | 0.8753 |
354 | OA4 | 0.8753 |
355 | B56 | 0.8751 |
356 | THM | 0.8751 |
357 | V2Z | 0.8750 |
358 | DRG | 0.8748 |
359 | IA2 | 0.8747 |
360 | ESR | 0.8747 |
361 | AMR | 0.8744 |
362 | X11 | 0.8743 |
363 | 8MO | 0.8743 |
364 | 80G | 0.8742 |
365 | FDR | 0.8741 |
366 | D25 | 0.8739 |
367 | RYV | 0.8738 |
368 | 8HH | 0.8737 |
369 | H2B | 0.8730 |
370 | 5BX | 0.8729 |
371 | OCZ | 0.8729 |
372 | 9OF | 0.8729 |
373 | 27K | 0.8728 |
374 | 3Y7 | 0.8727 |
375 | TXQ | 0.8720 |
376 | 795 | 0.8720 |
377 | C53 | 0.8716 |
378 | NEO | 0.8715 |
379 | VGS | 0.8715 |
380 | 4V2 | 0.8714 |
381 | 4FC | 0.8714 |
382 | JG8 | 0.8714 |
383 | ZYQ | 0.8712 |
384 | Y0V | 0.8711 |
385 | 4FE | 0.8711 |
386 | ADL | 0.8708 |
387 | CXH | 0.8707 |
388 | S62 | 0.8704 |
389 | 15E | 0.8704 |
390 | 3D3 | 0.8698 |
391 | KW8 | 0.8695 |
392 | A51 | 0.8695 |
393 | 5WT | 0.8693 |
394 | L15 | 0.8688 |
395 | QBP | 0.8688 |
396 | G2V | 0.8688 |
397 | LC1 | 0.8688 |
398 | A8D | 0.8688 |
399 | TIY | 0.8686 |
400 | G1L | 0.8683 |
401 | K25 | 0.8672 |
402 | AVX | 0.8671 |
403 | 1OT | 0.8670 |
404 | JP2 | 0.8663 |
405 | N2M | 0.8663 |
406 | 613 | 0.8662 |
407 | TRU | 0.8661 |
408 | 72E | 0.8661 |
409 | 5GT | 0.8661 |
410 | MNS | 0.8660 |
411 | BVS | 0.8659 |
412 | TR4 | 0.8657 |
413 | GZV | 0.8655 |
414 | 537 | 0.8654 |
415 | 5S9 | 0.8653 |
416 | 7O4 | 0.8652 |
417 | 5WK | 0.8652 |
418 | 1WO | 0.8647 |
419 | ENO | 0.8646 |
420 | RYY | 0.8642 |
421 | QME | 0.8641 |
422 | 19E | 0.8641 |
423 | FY8 | 0.8637 |
424 | HHR | 0.8637 |
425 | J6W | 0.8636 |
426 | X0T | 0.8635 |
427 | AOX | 0.8633 |
428 | 2QV | 0.8633 |
429 | K3D | 0.8628 |
430 | BA5 | 0.8628 |
431 | 5LA | 0.8628 |
432 | 27B | 0.8626 |
433 | 49P | 0.8626 |
434 | 428 | 0.8624 |
435 | P9E | 0.8624 |
436 | NFZ | 0.8623 |
437 | D2G | 0.8623 |
438 | 6E8 | 0.8623 |
439 | JVD | 0.8620 |
440 | GNG | 0.8620 |
441 | 5B2 | 0.8616 |
442 | ADN | 0.8612 |
443 | BVA | 0.8611 |
444 | U14 | 0.8609 |
445 | D3G | 0.8606 |
446 | A5E | 0.8605 |
447 | SKF | 0.8604 |
448 | IOP | 0.8603 |
449 | NYJ | 0.8599 |
450 | 4HG | 0.8596 |
451 | 0FK | 0.8591 |
452 | CL9 | 0.8591 |
453 | PLP | 0.8588 |
454 | G12 | 0.8583 |
455 | VM1 | 0.8558 |
456 | E1T | 0.8555 |
457 | 1Q1 | 0.8546 |
458 | KWV | 0.8543 |
459 | ALE | 0.8542 |
460 | NQ8 | 0.8536 |
461 | UN9 | 0.8529 |
462 | 4F8 | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 4k3p.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |