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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 1 families. | |||||
1 | 2GQ3 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
2 | 5E9X | - | 5LA | C7 H4 Cl N O2 S | c1c2cc(sc2.... |
3 | 5C9U | - | 4Z1 | C8 H6 Cl2 N2 O3 | c1cc(c(cc1.... |
4 | 6BA7 | ic50 = 0.007 uM | D1Y | C10 H7 Cl O5 | c1cc(c(cc1.... |
5 | 5CBI | - | 4ZC | C7 H4 Cl N O | c1cc(c(cc1.... |
6 | 1N8I | - | GLV | C2 H2 O3 | C(=O)C(=O).... |
7 | 5C9R | - | 4YZ | C9 H9 Cl O2 S | c1cc(ccc1S.... |
8 | 5CBJ | - | 4ZD | C9 H8 O2 S | c1ccc(cc1).... |
9 | 5CAH | - | 4ZA | C7 H5 N O2 S | c1csc2c1cc.... |
10 | 5C9X | - | 4Z4 | C7 H3 Cl2 F O2 | c1c(c(cc(c.... |
11 | 6AS6 | ic50 = 15.2 uM | BSV | C14 H14 O4 | Cc1ccc(cc1.... |
12 | 5CJN | - | 52F | C11 H10 N2 O3 | c1ccc2c(c1.... |
13 | 6DNP | ic50 = 6.6 uM | GZV | C11 H8 F2 O4 | Cc1ccc(c(c.... |
14 | 5CCZ | - | 50C | C10 H10 F N3 | Cc1c(n[nH].... |
15 | 6DKO | ic50 = 1.6 uM | GXG | C10 H6 F2 O4 | c1cc(c(c(c.... |
16 | 6C6O | ic50 = 0.005 uM | ENG | C10 H7 Br O5 | c1cc(c(cc1.... |
17 | 6APZ | ic50 = 0.15 uM | BQ4 | C10 H8 O5 | c1cc(cc(c1.... |
18 | 6AXB | ic50 = 0.5 uM | C0V | C14 H10 O4 | c1ccc2cc(c.... |
19 | 1D8C | - | SOR | C6 H14 O6 | C([C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 6BU1 | ic50 = 0.06 uM | E9S | C10 H7 Br O5 | c1cc(c(c(c.... |
2 | 5C9W | - | 4Z3 | C8 H7 Br N2 O2 | c1ccc(c(c1.... |
3 | 6C8P | ic50 = 0.2 uM | EQA | C10 H7 F O4 | c1ccc(c(c1.... |
4 | 5DRC | - | 5ER | C12 H9 N O4 | c1ccc2c(c1.... |
5 | 5DX7 | - | 5H6 | C8 H4 Cl N O3 S | c1cc(sc1c2.... |
6 | 5ECV | - | 5M2 | C13 H11 N O4 | Cc1c2cc[nH.... |
7 | 5CBB | - | 4ZF | C12 H9 N3 O2 | c1ccc2c(c1.... |
8 | 5C7V | - | PYC | C5 H4 N O2 | c1cc([nH]c.... |
9 | 2GQ3 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
10 | 5E9X | - | 5LA | C7 H4 Cl N O2 S | c1c2cc(sc2.... |
11 | 5C9U | - | 4Z1 | C8 H6 Cl2 N2 O3 | c1cc(c(cc1.... |
12 | 6BA7 | ic50 = 0.007 uM | D1Y | C10 H7 Cl O5 | c1cc(c(cc1.... |
13 | 5CBI | - | 4ZC | C7 H4 Cl N O | c1cc(c(cc1.... |
14 | 1N8I | - | GLV | C2 H2 O3 | C(=O)C(=O).... |
15 | 5C9R | - | 4YZ | C9 H9 Cl O2 S | c1cc(ccc1S.... |
16 | 5CBJ | - | 4ZD | C9 H8 O2 S | c1ccc(cc1).... |
17 | 5CAH | - | 4ZA | C7 H5 N O2 S | c1csc2c1cc.... |
18 | 5C9X | - | 4Z4 | C7 H3 Cl2 F O2 | c1c(c(cc(c.... |
19 | 6AS6 | ic50 = 15.2 uM | BSV | C14 H14 O4 | Cc1ccc(cc1.... |
20 | 5CJN | - | 52F | C11 H10 N2 O3 | c1ccc2c(c1.... |
21 | 6DNP | ic50 = 6.6 uM | GZV | C11 H8 F2 O4 | Cc1ccc(c(c.... |
22 | 5CCZ | - | 50C | C10 H10 F N3 | Cc1c(n[nH].... |
23 | 6DKO | ic50 = 1.6 uM | GXG | C10 H6 F2 O4 | c1cc(c(c(c.... |
24 | 6C6O | ic50 = 0.005 uM | ENG | C10 H7 Br O5 | c1cc(c(cc1.... |
25 | 6APZ | ic50 = 0.15 uM | BQ4 | C10 H8 O5 | c1cc(cc(c1.... |
26 | 6AXB | ic50 = 0.5 uM | C0V | C14 H10 O4 | c1ccc2cc(c.... |
27 | 6C7B | ic50 = 1.5 uM | ENY | C15 H12 O5 | COc1ccc2cc.... |
28 | 5CEW | - | 6MW | C9 H10 N2 O2 S | c1cnccc1[C.... |
29 | 5CAK | - | 4Z9 | C11 H11 N O3 | c1ccc2c(c1.... |
30 | 6ASU | ic50 = 6.1 uM | BVS | C11 H10 O4 | Cc1ccc(cc1.... |
31 | 6AU9 | ic50 = 1.1 uM | BXS | C12 H10 O6 | c1cc2c(cc1.... |
32 | 5CJM | - | 4WL | C7 H5 N O2 S | c1csc2c1[n.... |
33 | 6DL9 | ic50 = 1 uM | GXD | C10 H6 Cl2 O4 | c1cc(c(c(c.... |
34 | 5T8G | - | 4Z0 | C9 H6 O5 S | c1cc(sc1)C.... |
35 | 1D8C | - | SOR | C6 H14 O6 | C([C@@H]([.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EV2 | 0.9523 |
2 | YZ9 | 0.9446 |
3 | 22T | 0.9405 |
4 | 1FE | 0.9368 |
5 | NAL | 0.9315 |
6 | IOP | 0.9293 |
7 | IQ5 | 0.9286 |
8 | JY2 | 0.9273 |
9 | LIG | 0.9271 |
10 | RSV | 0.9264 |
11 | 0DF | 0.9263 |
12 | 9KZ | 0.9259 |
13 | L1T | 0.9257 |
14 | 9BF | 0.9253 |
15 | JTF | 0.9249 |
16 | CX4 | 0.9247 |
17 | PIQ | 0.9236 |
18 | JXK | 0.9227 |
19 | TXW | 0.9222 |
20 | NK5 | 0.9222 |
21 | I2E | 0.9221 |
22 | DX2 | 0.9215 |
23 | R4E | 0.9212 |
24 | YE7 | 0.9211 |
25 | 5B2 | 0.9210 |
26 | AMR | 0.9207 |
27 | 6JO | 0.9201 |
28 | RVE | 0.9187 |
29 | EV3 | 0.9186 |
30 | 0OK | 0.9186 |
31 | 3SU | 0.9184 |
32 | 2JX | 0.9175 |
33 | TRP | 0.9173 |
34 | 8YH | 0.9166 |
35 | 2GQ | 0.9164 |
36 | DDC | 0.9164 |
37 | 7EH | 0.9164 |
38 | 4AU | 0.9156 |
39 | BSA | 0.9147 |
40 | AXX | 0.9144 |
41 | 27K | 0.9143 |
42 | 6DQ | 0.9143 |
43 | GHQ | 0.9141 |
44 | C4E | 0.9140 |
45 | KU1 | 0.9136 |
46 | 4CN | 0.9134 |
47 | D87 | 0.9125 |
48 | 108 | 0.9123 |
49 | 1V4 | 0.9113 |
50 | HWH | 0.9112 |
51 | 96Z | 0.9110 |
52 | 3AK | 0.9107 |
53 | 3WL | 0.9107 |
54 | ASE | 0.9107 |
55 | 8Y7 | 0.9102 |
56 | 8RK | 0.9102 |
57 | AZY | 0.9099 |
58 | AJ1 | 0.9096 |
59 | 4Z9 | 0.9096 |
60 | L07 | 0.9095 |
61 | LP8 | 0.9093 |
62 | NIY | 0.9093 |
63 | 2QV | 0.9091 |
64 | D25 | 0.9088 |
65 | 7L4 | 0.9087 |
66 | 1Q4 | 0.9084 |
67 | YE6 | 0.9083 |
68 | 2QU | 0.9081 |
69 | 1HP | 0.9072 |
70 | JHY | 0.9072 |
71 | TCR | 0.9069 |
72 | 1V3 | 0.9067 |
73 | 5E5 | 0.9067 |
74 | 5WN | 0.9064 |
75 | D2G | 0.9064 |
76 | PMM | 0.9055 |
77 | 35K | 0.9054 |
78 | D26 | 0.9051 |
79 | 0UL | 0.9049 |
80 | 0QA | 0.9048 |
81 | XG1 | 0.9043 |
82 | F40 | 0.9026 |
83 | JYE | 0.9021 |
84 | OTA | 0.9021 |
85 | FZ0 | 0.9015 |
86 | SYE | 0.9015 |
87 | PMP | 0.9015 |
88 | HRM | 0.9013 |
89 | N7I | 0.9009 |
90 | MUX | 0.9008 |
91 | 2UD | 0.9002 |
92 | 1AJ | 0.9002 |
93 | 6QT | 0.9002 |
94 | HMZ | 0.9001 |
95 | F5C | 0.9001 |
96 | D80 | 0.8999 |
97 | J1K | 0.8997 |
98 | 5WT | 0.8997 |
99 | 39Z | 0.8996 |
100 | PUE | 0.8996 |
101 | 6HP | 0.8995 |
102 | 4BX | 0.8994 |
103 | ZIP | 0.8993 |
104 | SU9 | 0.8993 |
105 | OLU | 0.8989 |
106 | 5VU | 0.8988 |
107 | FT6 | 0.8986 |
108 | 28S | 0.8986 |
109 | 3D3 | 0.8981 |
110 | VM1 | 0.8981 |
111 | AP6 | 0.8980 |
112 | 5NN | 0.8979 |
113 | ET0 | 0.8979 |
114 | 57D | 0.8978 |
115 | 761 | 0.8978 |
116 | FCW | 0.8974 |
117 | 0SX | 0.8974 |
118 | QUB | 0.8970 |
119 | NYJ | 0.8969 |
120 | M78 | 0.8969 |
121 | 9XZ | 0.8965 |
122 | 3NM | 0.8964 |
123 | SRO | 0.8964 |
124 | 109 | 0.8963 |
125 | QIV | 0.8961 |
126 | C09 | 0.8960 |
127 | AJG | 0.8959 |
128 | J38 | 0.8959 |
129 | 5EZ | 0.8956 |
130 | K7H | 0.8956 |
131 | JCZ | 0.8954 |
132 | 1EB | 0.8954 |
133 | H4B | 0.8954 |
134 | SJK | 0.8954 |
135 | KLV | 0.8953 |
136 | ZZA | 0.8951 |
137 | 6C9 | 0.8951 |
138 | KMY | 0.8948 |
139 | RDV | 0.8947 |
140 | FER | 0.8946 |
141 | 6XC | 0.8943 |
142 | M28 | 0.8942 |
143 | 833 | 0.8940 |
144 | WLH | 0.8938 |
145 | OPA | 0.8938 |
146 | E6Q | 0.8938 |
147 | Q0K | 0.8935 |
148 | 1R5 | 0.8934 |
149 | X2M | 0.8931 |
150 | CUE | 0.8931 |
151 | 5SJ | 0.8931 |
152 | 5WS | 0.8931 |
153 | DX7 | 0.8931 |
154 | 2P3 | 0.8929 |
155 | 6MW | 0.8928 |
156 | BIO | 0.8925 |
157 | SNJ | 0.8925 |
158 | KMP | 0.8923 |
159 | JXT | 0.8923 |
160 | DHC | 0.8921 |
161 | A7H | 0.8920 |
162 | HNT | 0.8920 |
163 | 3VQ | 0.8916 |
164 | 6N4 | 0.8916 |
165 | 0MB | 0.8915 |
166 | ML1 | 0.8915 |
167 | 7KE | 0.8915 |
168 | X0T | 0.8914 |
169 | NFZ | 0.8911 |
170 | Q5M | 0.8910 |
171 | 4FE | 0.8909 |
172 | ZEA | 0.8903 |
173 | 36M | 0.8903 |
174 | KXN | 0.8901 |
175 | S62 | 0.8901 |
176 | A9B | 0.8901 |
177 | KLE | 0.8898 |
178 | MKN | 0.8897 |
179 | DTR | 0.8897 |
180 | L1O | 0.8894 |
181 | P7V | 0.8892 |
182 | 2FX | 0.8891 |
183 | JMG | 0.8890 |
184 | P4L | 0.8890 |
185 | COL | 0.8890 |
186 | A73 | 0.8888 |
187 | 3GX | 0.8888 |
188 | A6W | 0.8887 |
189 | JYT | 0.8887 |
190 | HH6 | 0.8886 |
191 | 5TO | 0.8884 |
192 | GOE | 0.8880 |
193 | M9N | 0.8879 |
194 | EUH | 0.8879 |
195 | NVS | 0.8879 |
196 | 6P3 | 0.8877 |
197 | DXK | 0.8876 |
198 | ZHA | 0.8874 |
199 | PRL | 0.8872 |
200 | JVD | 0.8871 |
201 | MD6 | 0.8870 |
202 | 8CC | 0.8869 |
203 | TEF | 0.8869 |
204 | JGY | 0.8869 |
205 | 6C8 | 0.8867 |
206 | 3JC | 0.8865 |
207 | H2B | 0.8864 |
208 | IBP | 0.8864 |
209 | PLP | 0.8864 |
210 | D1G | 0.8864 |
211 | 4UM | 0.8863 |
212 | Y3L | 0.8862 |
213 | G6P | 0.8862 |
214 | OAI | 0.8861 |
215 | 25F | 0.8860 |
216 | D8Q | 0.8860 |
217 | 7FU | 0.8859 |
218 | 6FB | 0.8858 |
219 | KWB | 0.8857 |
220 | 3F4 | 0.8856 |
221 | P1J | 0.8855 |
222 | STV | 0.8855 |
223 | 5OO | 0.8854 |
224 | 9JT | 0.8854 |
225 | D64 | 0.8848 |
226 | 34L | 0.8847 |
227 | 20D | 0.8846 |
228 | DFL | 0.8846 |
229 | RGK | 0.8845 |
230 | 3VX | 0.8844 |
231 | WA2 | 0.8843 |
232 | LC1 | 0.8842 |
233 | KLS | 0.8842 |
234 | N1E | 0.8841 |
235 | B5A | 0.8840 |
236 | OA4 | 0.8840 |
237 | 657 | 0.8839 |
238 | BQ2 | 0.8838 |
239 | LI7 | 0.8838 |
240 | ITE | 0.8838 |
241 | IQZ | 0.8837 |
242 | 4AB | 0.8837 |
243 | CKA | 0.8836 |
244 | 4HG | 0.8835 |
245 | N4E | 0.8835 |
246 | C8O | 0.8835 |
247 | 5ER | 0.8835 |
248 | 2LW | 0.8834 |
249 | AC2 | 0.8834 |
250 | B61 | 0.8831 |
251 | UN3 | 0.8828 |
252 | HBI | 0.8828 |
253 | 531 | 0.8827 |
254 | A05 | 0.8822 |
255 | 363 | 0.8821 |
256 | SZ5 | 0.8821 |
257 | BHS | 0.8821 |
258 | HA6 | 0.8820 |
259 | NDD | 0.8817 |
260 | AUG | 0.8817 |
261 | XCG | 0.8816 |
262 | H75 | 0.8816 |
263 | FHV | 0.8811 |
264 | KF5 | 0.8811 |
265 | 1V1 | 0.8809 |
266 | JAH | 0.8809 |
267 | HBO | 0.8809 |
268 | ODK | 0.8808 |
269 | RF2 | 0.8808 |
270 | LR2 | 0.8807 |
271 | 9NB | 0.8806 |
272 | 4ZF | 0.8806 |
273 | 4AF | 0.8806 |
274 | GO2 | 0.8805 |
275 | JBZ | 0.8805 |
276 | 7N8 | 0.8805 |
277 | PNP | 0.8804 |
278 | 1A5 | 0.8803 |
279 | ML2 | 0.8800 |
280 | UQ1 | 0.8796 |
281 | CDJ | 0.8796 |
282 | NIF | 0.8795 |
283 | K82 | 0.8794 |
284 | NKI | 0.8794 |
285 | CFA | 0.8792 |
286 | GEN | 0.8791 |
287 | LRW | 0.8788 |
288 | 4I8 | 0.8788 |
289 | UN9 | 0.8787 |
290 | AQN | 0.8785 |
291 | BXS | 0.8785 |
292 | AVX | 0.8784 |
293 | M4N | 0.8783 |
294 | KWV | 0.8783 |
295 | ZSP | 0.8780 |
296 | 0NX | 0.8778 |
297 | NPX | 0.8778 |
298 | 47V | 0.8778 |
299 | SJR | 0.8778 |
300 | CG | 0.8777 |
301 | M3W | 0.8777 |
302 | B4L | 0.8776 |
303 | S0D | 0.8772 |
304 | ZEZ | 0.8772 |
305 | RKY | 0.8770 |
306 | H35 | 0.8769 |
307 | NPS | 0.8769 |
308 | EZL | 0.8767 |
309 | WA1 | 0.8766 |
310 | BVS | 0.8764 |
311 | FY8 | 0.8763 |
312 | 0ON | 0.8762 |
313 | FSE | 0.8760 |
314 | HWB | 0.8760 |
315 | 7MX | 0.8758 |
316 | 5ZM | 0.8757 |
317 | 2J1 | 0.8757 |
318 | VT3 | 0.8757 |
319 | GJG | 0.8756 |
320 | C0W | 0.8756 |
321 | QUE | 0.8755 |
322 | 6C5 | 0.8754 |
323 | P83 | 0.8752 |
324 | 0K7 | 0.8750 |
325 | BG6 | 0.8742 |
326 | EES | 0.8740 |
327 | G14 | 0.8737 |
328 | N91 | 0.8737 |
329 | K4T | 0.8736 |
330 | LTN | 0.8736 |
331 | 40N | 0.8736 |
332 | NAG | 0.8736 |
333 | 3D8 | 0.8735 |
334 | TMG | 0.8735 |
335 | GJK | 0.8735 |
336 | 5XL | 0.8729 |
337 | 1CE | 0.8728 |
338 | AGI | 0.8727 |
339 | 1XS | 0.8727 |
340 | 0H5 | 0.8727 |
341 | B2E | 0.8726 |
342 | Q8G | 0.8724 |
343 | EI1 | 0.8723 |
344 | L15 | 0.8721 |
345 | S98 | 0.8721 |
346 | 49P | 0.8720 |
347 | 3IL | 0.8719 |
348 | 5TT | 0.8719 |
349 | 1Q2 | 0.8719 |
350 | II4 | 0.8719 |
351 | 5M2 | 0.8718 |
352 | 1OT | 0.8717 |
353 | RA7 | 0.8715 |
354 | 2D2 | 0.8714 |
355 | 4R1 | 0.8714 |
356 | 3W6 | 0.8712 |
357 | 3W3 | 0.8712 |
358 | 20N | 0.8712 |
359 | GC2 | 0.8711 |
360 | CBE | 0.8710 |
361 | 2WU | 0.8708 |
362 | DT7 | 0.8707 |
363 | MMJ | 0.8702 |
364 | CHQ | 0.8701 |
365 | 5O6 | 0.8701 |
366 | 0FR | 0.8700 |
367 | FNT | 0.8700 |
368 | X0U | 0.8698 |
369 | DY8 | 0.8696 |
370 | NAR | 0.8696 |
371 | KW8 | 0.8695 |
372 | A98 | 0.8693 |
373 | 6FG | 0.8691 |
374 | CIY | 0.8690 |
375 | 4NP | 0.8690 |
376 | 0SY | 0.8688 |
377 | FCD | 0.8687 |
378 | 6L6 | 0.8685 |
379 | 4NS | 0.8683 |
380 | CT0 | 0.8683 |
381 | 801 | 0.8683 |
382 | O9Q | 0.8682 |
383 | PXP | 0.8682 |
384 | EAE | 0.8682 |
385 | PZP | 0.8682 |
386 | EE8 | 0.8681 |
387 | E9L | 0.8680 |
388 | D9Z | 0.8676 |
389 | ADL | 0.8675 |
390 | LZ5 | 0.8674 |
391 | 8V8 | 0.8671 |
392 | DAH | 0.8671 |
393 | PTR | 0.8670 |
394 | MS0 | 0.8669 |
395 | W8L | 0.8665 |
396 | RHN | 0.8664 |
397 | ZRK | 0.8661 |
398 | 3VS | 0.8658 |
399 | HDI | 0.8657 |
400 | HPZ | 0.8656 |
401 | RDT | 0.8651 |
402 | B15 | 0.8651 |
403 | O9Z | 0.8649 |
404 | 397 | 0.8647 |
405 | C9M | 0.8647 |
406 | GJW | 0.8645 |
407 | QR2 | 0.8644 |
408 | SDN | 0.8642 |
409 | 6SD | 0.8641 |
410 | M9K | 0.8640 |
411 | H2W | 0.8640 |
412 | 122 | 0.8635 |
413 | UAY | 0.8634 |
414 | 92O | 0.8633 |
415 | PLR | 0.8630 |
416 | S0A | 0.8629 |
417 | B0K | 0.8628 |
418 | QS4 | 0.8627 |
419 | BA5 | 0.8626 |
420 | DRG | 0.8622 |
421 | 0LA | 0.8621 |
422 | 120 | 0.8620 |
423 | 1BW | 0.8619 |
424 | K3D | 0.8618 |
425 | 68B | 0.8617 |
426 | QNM | 0.8616 |
427 | 4FC | 0.8616 |
428 | HC4 | 0.8613 |
429 | TID | 0.8612 |
430 | 5XK | 0.8611 |
431 | 28A | 0.8609 |
432 | LU2 | 0.8607 |
433 | QME | 0.8607 |
434 | AVA | 0.8605 |
435 | N18 | 0.8604 |
436 | 6DH | 0.8604 |
437 | ZRL | 0.8601 |
438 | 6H2 | 0.8601 |
439 | 3WN | 0.8600 |
440 | 3WO | 0.8600 |
441 | 1Q1 | 0.8599 |
442 | NPL | 0.8599 |
443 | 4KR | 0.8599 |
444 | E92 | 0.8598 |
445 | 7PS | 0.8598 |
446 | 5H6 | 0.8597 |
447 | GB4 | 0.8597 |
448 | 4QY | 0.8597 |
449 | PNX | 0.8596 |
450 | 9CE | 0.8589 |
451 | DFV | 0.8582 |
452 | EQU | 0.8582 |
453 | VUP | 0.8582 |
454 | 3WK | 0.8581 |
455 | IS2 | 0.8581 |
456 | 72D | 0.8581 |
457 | BGU | 0.8579 |
458 | 6BK | 0.8578 |
459 | 8EQ | 0.8576 |
460 | 2L1 | 0.8573 |
461 | NBV | 0.8571 |
462 | F1X | 0.8571 |
463 | 4GU | 0.8571 |
464 | AH3 | 0.8569 |
465 | 9R5 | 0.8567 |
466 | BDI | 0.8558 |
467 | 78U | 0.8552 |
468 | VC3 | 0.8550 |
469 | A8D | 0.8546 |
470 | 2L2 | 0.8537 |
471 | AD6 | 0.8537 |
472 | S7P | 0.8535 |
473 | EST | 0.8533 |
474 | SWX | 0.8529 |
475 | EY2 | 0.8528 |
476 | E1K | 0.8510 |