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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 6 families. | |||||
1 | 6QGV | ic50 = 0.127 uM | J2H | C30 H28 N6 O2 | Cc1cccnc1C.... |
2 | 4JZR | ic50 = 15.8 nM | 4JR | C25 H28 N4 O | Cn1ccnc1CN.... |
3 | 4BQW | - | QNM | C13 H12 N2 O5 | CN1c2ccccc.... |
4 | 5LBC | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
5 | 6NMQ | ic50 = 0.00000001 M | KU1 | C11 H9 N3 O4 | c1ccc2c(c1.... |
6 | 4BQX | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
7 | 2Y34 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
8 | 5L9R | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
9 | 5LBF | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
10 | 6YW0 | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
11 | 4BQY | - | FNT | C13 H11 Cl N2 O4 | C[C@@H](C(.... |
12 | 5OX5 | ic50 = 2.6 uM | B2E | C9 H11 N3 O6 | CN1C(=C(C(.... |
13 | 5OX6 | ic50 = 0.029 uM | A1Z | C14 H11 Cl N2 O4 | c1cc(cc(c1.... |
14 | 6YVZ | - | PW8 | C13 H11 Br N2 O3 | c1cc2cnc(c.... |
15 | 5LAT | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
16 | 5V18 | - | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
17 | 6YVW | - | PW5 | C11 H13 Br N2 O3 | Cc1cc(nc(c.... |
18 | 2G1M | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
19 | 6ST3 | ic50 = 0.256 uM | LUW | C21 H17 N5 O3 | c1ccc(cc1).... |
20 | 2Y33 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
21 | 5LB6 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
22 | 6YVX | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
23 | 2G19 | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
24 | 5LBE | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
25 | 4UWD | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
26 | 5LBB | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
27 | 5V1B | ic50 = 0.034 uM | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 6QGV | ic50 = 0.127 uM | J2H | C30 H28 N6 O2 | Cc1cccnc1C.... |
2 | 4JZR | ic50 = 15.8 nM | 4JR | C25 H28 N4 O | Cn1ccnc1CN.... |
3 | 4BQW | - | QNM | C13 H12 N2 O5 | CN1c2ccccc.... |
4 | 5LBC | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
5 | 6NMQ | ic50 = 0.00000001 M | KU1 | C11 H9 N3 O4 | c1ccc2c(c1.... |
6 | 4BQX | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
7 | 2Y34 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
8 | 5L9R | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
9 | 5LBF | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
10 | 6YW0 | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
11 | 4BQY | - | FNT | C13 H11 Cl N2 O4 | C[C@@H](C(.... |
12 | 5OX5 | ic50 = 2.6 uM | B2E | C9 H11 N3 O6 | CN1C(=C(C(.... |
13 | 5OX6 | ic50 = 0.029 uM | A1Z | C14 H11 Cl N2 O4 | c1cc(cc(c1.... |
14 | 6YVZ | - | PW8 | C13 H11 Br N2 O3 | c1cc2cnc(c.... |
15 | 5LAT | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
16 | 5V18 | - | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
17 | 6YVW | - | PW5 | C11 H13 Br N2 O3 | Cc1cc(nc(c.... |
18 | 2G1M | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
19 | 6ST3 | ic50 = 0.256 uM | LUW | C21 H17 N5 O3 | c1ccc(cc1).... |
20 | 2Y33 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
21 | 5LB6 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
22 | 6YVX | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
23 | 2G19 | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
24 | 5LBE | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
25 | 4UWD | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
26 | 5LBB | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
27 | 5V1B | ic50 = 0.034 uM | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KU1 | 0.9742 |
2 | QNM | 0.9564 |
3 | B2E | 0.9344 |
4 | AQN | 0.9322 |
5 | RKY | 0.9294 |
6 | SJK | 0.9278 |
7 | 0J2 | 0.9276 |
8 | YE7 | 0.9275 |
9 | P83 | 0.9256 |
10 | C0V | 0.9246 |
11 | 18E | 0.9217 |
12 | 20D | 0.9189 |
13 | BXS | 0.9178 |
14 | 1V8 | 0.9176 |
15 | 1V1 | 0.9171 |
16 | 68C | 0.9157 |
17 | A73 | 0.9146 |
18 | MN QAY | 0.9144 |
19 | 5M2 | 0.9138 |
20 | 97K | 0.9123 |
21 | EY2 | 0.9120 |
22 | A63 | 0.9115 |
23 | 3WL | 0.9113 |
24 | KMP | 0.9104 |
25 | YEX | 0.9100 |
26 | DFL | 0.9091 |
27 | RHN | 0.9086 |
28 | 1EL | 0.9085 |
29 | 4ZF | 0.9083 |
30 | AGI | 0.9083 |
31 | 2WU | 0.9079 |
32 | 5WT | 0.9076 |
33 | T5J | 0.9075 |
34 | X8E | 0.9074 |
35 | 3G3 | 0.9070 |
36 | 88X | 0.9067 |
37 | R4E | 0.9057 |
38 | CX5 | 0.9049 |
39 | 25F | 0.9049 |
40 | 6BK | 0.9048 |
41 | Z17 | 0.9038 |
42 | YE6 | 0.9037 |
43 | FSU | 0.9035 |
44 | S98 | 0.9030 |
45 | O9Z | 0.9024 |
46 | 8M5 | 0.9021 |
47 | PMM | 0.9021 |
48 | 272 | 0.9019 |
49 | MRI | 0.9011 |
50 | O9T | 0.9009 |
51 | NEU | 0.9007 |
52 | LIG | 0.9004 |
53 | OAL | 0.9002 |
54 | 7PJ | 0.9002 |
55 | HA6 | 0.9001 |
56 | 2JP | 0.9000 |
57 | 5C1 | 0.8999 |
58 | 27F | 0.8999 |
59 | X0T | 0.8996 |
60 | 1CE | 0.8995 |
61 | WDW | 0.8993 |
62 | 7L4 | 0.8992 |
63 | 57D | 0.8991 |
64 | HRD | 0.8990 |
65 | A05 | 0.8990 |
66 | JRO | 0.8988 |
67 | 22T | 0.8986 |
68 | E92 | 0.8985 |
69 | 1UZ | 0.8984 |
70 | WLH | 0.8981 |
71 | O82 | 0.8979 |
72 | NOM | 0.8978 |
73 | B21 | 0.8976 |
74 | SZ5 | 0.8974 |
75 | IKY | 0.8974 |
76 | 5XL | 0.8971 |
77 | Z25 | 0.8970 |
78 | CHQ | 0.8968 |
79 | E9L | 0.8967 |
80 | ELH | 0.8965 |
81 | Q2S | 0.8964 |
82 | 34L | 0.8961 |
83 | ALJ | 0.8960 |
84 | Q7U | 0.8959 |
85 | 4AU | 0.8958 |
86 | CDJ | 0.8957 |
87 | 08C | 0.8955 |
88 | GEN | 0.8955 |
89 | 3F4 | 0.8954 |
90 | M3W | 0.8953 |
91 | MUX | 0.8952 |
92 | RGK | 0.8949 |
93 | KLV | 0.8949 |
94 | SCE | 0.8949 |
95 | TCR | 0.8946 |
96 | GJW | 0.8945 |
97 | AP6 | 0.8939 |
98 | TVC | 0.8939 |
99 | M1D | 0.8939 |
100 | H2W | 0.8938 |
101 | HRM | 0.8934 |
102 | ESJ | 0.8931 |
103 | 1V4 | 0.8931 |
104 | 856 | 0.8930 |
105 | ADL | 0.8928 |
106 | IXG | 0.8922 |
107 | 7PS | 0.8922 |
108 | Q0K | 0.8922 |
109 | L07 | 0.8920 |
110 | VT3 | 0.8919 |
111 | NKI | 0.8917 |
112 | 6QT | 0.8916 |
113 | 5WW | 0.8915 |
114 | W8L | 0.8913 |
115 | WG8 | 0.8912 |
116 | 1V0 | 0.8907 |
117 | IDZ | 0.8902 |
118 | 9X0 | 0.8901 |
119 | 0DJ | 0.8901 |
120 | AJG | 0.8900 |
121 | JVD | 0.8899 |
122 | H0V | 0.8899 |
123 | 1AJ | 0.8899 |
124 | Q92 | 0.8899 |
125 | EAJ | 0.8898 |
126 | AO | 0.8896 |
127 | DX6 | 0.8893 |
128 | 2JX | 0.8892 |
129 | A64 | 0.8888 |
130 | D80 | 0.8886 |
131 | J1K | 0.8886 |
132 | 4JV | 0.8885 |
133 | 1UT | 0.8883 |
134 | IXM | 0.8883 |
135 | 5WS | 0.8882 |
136 | C09 | 0.8881 |
137 | 4UM | 0.8880 |
138 | PNX | 0.8880 |
139 | 1R5 | 0.8878 |
140 | D87 | 0.8878 |
141 | GNV | 0.8877 |
142 | 35K | 0.8876 |
143 | HBI | 0.8875 |
144 | SU9 | 0.8874 |
145 | 57U | 0.8874 |
146 | KCH | 0.8874 |
147 | 8Y7 | 0.8873 |
148 | NZ4 | 0.8871 |
149 | 5XM | 0.8871 |
150 | BUX | 0.8870 |
151 | JF8 | 0.8863 |
152 | DFV | 0.8863 |
153 | LU2 | 0.8863 |
154 | P4L | 0.8854 |
155 | AV6 | 0.8853 |
156 | HMZ | 0.8853 |
157 | TQ1 | 0.8851 |
158 | MYU | 0.8851 |
159 | 2LW | 0.8850 |
160 | F40 | 0.8849 |
161 | NAR | 0.8849 |
162 | 1DR | 0.8848 |
163 | EMO | 0.8846 |
164 | QUG | 0.8845 |
165 | CG | 0.8845 |
166 | SDN | 0.8844 |
167 | 9XZ | 0.8843 |
168 | DX2 | 0.8843 |
169 | 1V3 | 0.8842 |
170 | MQS | 0.8841 |
171 | BBY | 0.8840 |
172 | PW5 | 0.8840 |
173 | 1UR | 0.8840 |
174 | RPN | 0.8840 |
175 | E6Q | 0.8838 |
176 | 1FE | 0.8836 |
177 | GI2 | 0.8835 |
178 | HH6 | 0.8834 |
179 | OAQ | 0.8834 |
180 | 1SF | 0.8834 |
181 | DT7 | 0.8828 |
182 | QUE | 0.8827 |
183 | 9KZ | 0.8827 |
184 | CUE | 0.8827 |
185 | 91F | 0.8821 |
186 | DX7 | 0.8820 |
187 | AH3 | 0.8818 |
188 | 0RU | 0.8817 |
189 | 1XS | 0.8816 |
190 | Q9T | 0.8812 |
191 | NU3 | 0.8811 |
192 | AZN | 0.8810 |
193 | 7DE | 0.8809 |
194 | 0SX | 0.8808 |
195 | HUL | 0.8808 |
196 | IQW | 0.8806 |
197 | FCD | 0.8805 |
198 | FX5 | 0.8805 |
199 | CX4 | 0.8804 |
200 | ZEA | 0.8804 |
201 | 9ME | 0.8803 |
202 | NEO | 0.8798 |
203 | 5VU | 0.8797 |
204 | PRL | 0.8797 |
205 | E3U | 0.8797 |
206 | 39Z | 0.8796 |
207 | Z3R | 0.8794 |
208 | TYP | 0.8794 |
209 | K74 | 0.8793 |
210 | H35 | 0.8793 |
211 | H4B | 0.8792 |
212 | 6JM | 0.8792 |
213 | EMU | 0.8792 |
214 | 4NR | 0.8791 |
215 | 52F | 0.8787 |
216 | F91 | 0.8786 |
217 | NRA | 0.8786 |
218 | GVI | 0.8784 |
219 | BHF | 0.8783 |
220 | 6JP | 0.8781 |
221 | Q5M | 0.8781 |
222 | 122 | 0.8781 |
223 | YZ9 | 0.8780 |
224 | 2GQ | 0.8778 |
225 | 121 | 0.8775 |
226 | K7H | 0.8774 |
227 | 5NN | 0.8774 |
228 | 27M | 0.8774 |
229 | 6DQ | 0.8772 |
230 | M01 | 0.8771 |
231 | V13 | 0.8770 |
232 | LUM | 0.8770 |
233 | E1K | 0.8770 |
234 | 4CN | 0.8767 |
235 | DX8 | 0.8767 |
236 | 3GX | 0.8765 |
237 | SGW | 0.8764 |
238 | B7H | 0.8764 |
239 | 5HG | 0.8763 |
240 | 9OF | 0.8762 |
241 | 2QU | 0.8762 |
242 | FC2 | 0.8762 |
243 | M9K | 0.8758 |
244 | 5XK | 0.8756 |
245 | 28A | 0.8756 |
246 | U4J | 0.8755 |
247 | NAL | 0.8753 |
248 | 6DH | 0.8750 |
249 | 120 | 0.8750 |
250 | 5E1 | 0.8748 |
251 | F36 | 0.8748 |
252 | CC6 | 0.8747 |
253 | 801 | 0.8747 |
254 | OSY | 0.8746 |
255 | 1HR | 0.8745 |
256 | 64F | 0.8745 |
257 | ZW2 | 0.8743 |
258 | 3N0 | 0.8740 |
259 | 4YE | 0.8739 |
260 | BMZ | 0.8738 |
261 | T21 | 0.8737 |
262 | M3F | 0.8736 |
263 | CZ0 | 0.8736 |
264 | H2B | 0.8732 |
265 | FSE | 0.8731 |
266 | 8SK | 0.8731 |
267 | NFZ | 0.8731 |
268 | CDY | 0.8730 |
269 | BL7 | 0.8728 |
270 | 5PK | 0.8726 |
271 | 6JO | 0.8725 |
272 | 7EH | 0.8724 |
273 | O53 | 0.8724 |
274 | 3D3 | 0.8724 |
275 | BIO | 0.8724 |
276 | BIT | 0.8722 |
277 | 5ZM | 0.8720 |
278 | D26 | 0.8718 |
279 | 47X | 0.8717 |
280 | NYJ | 0.8717 |
281 | AUV | 0.8714 |
282 | A8D | 0.8712 |
283 | D64 | 0.8711 |
284 | 3JC | 0.8710 |
285 | MQR | 0.8710 |
286 | 5YA | 0.8709 |
287 | D1Y | 0.8708 |
288 | 5R9 | 0.8706 |
289 | D25 | 0.8702 |
290 | ZRL | 0.8701 |
291 | IQZ | 0.8701 |
292 | 9CE | 0.8701 |
293 | ALR | 0.8700 |
294 | BC3 | 0.8698 |
295 | AC2 | 0.8696 |
296 | 0UL | 0.8696 |
297 | OLU | 0.8692 |
298 | GF7 | 0.8692 |
299 | 19E | 0.8691 |
300 | 0RY | 0.8691 |
301 | 1HP | 0.8690 |
302 | MBT | 0.8690 |
303 | 3WK | 0.8689 |
304 | AV4 | 0.8689 |
305 | 517 | 0.8684 |
306 | TRP | 0.8684 |
307 | DXK | 0.8682 |
308 | XEV | 0.8681 |
309 | D5F | 0.8681 |
310 | PIQ | 0.8680 |
311 | OUA | 0.8679 |
312 | LP8 | 0.8678 |
313 | P34 | 0.8678 |
314 | AJ1 | 0.8676 |
315 | HC8 | 0.8674 |
316 | 3AD | 0.8665 |
317 | X8I | 0.8665 |
318 | EST | 0.8665 |
319 | BBP | 0.8665 |
320 | 3TI | 0.8663 |
321 | EQU | 0.8663 |
322 | 797 | 0.8662 |
323 | L3L | 0.8660 |
324 | OUG | 0.8659 |
325 | BRY | 0.8659 |
326 | CX6 | 0.8658 |
327 | NPS | 0.8657 |
328 | GNJ | 0.8656 |
329 | 124 | 0.8656 |
330 | 0MB | 0.8656 |
331 | J8D | 0.8656 |
332 | 90G | 0.8655 |
333 | 4YF | 0.8647 |
334 | JTF | 0.8646 |
335 | B5A | 0.8642 |
336 | CR4 | 0.8642 |
337 | 4P9 | 0.8639 |
338 | 5ER | 0.8639 |
339 | 7A9 | 0.8638 |
340 | K8W | 0.8636 |
341 | GZV | 0.8635 |
342 | NVS | 0.8634 |
343 | SQM | 0.8633 |
344 | SJR | 0.8631 |
345 | NPX | 0.8630 |
346 | 40N | 0.8628 |
347 | BJ4 | 0.8626 |
348 | D9Z | 0.8624 |
349 | UAY | 0.8623 |
350 | 3JN | 0.8620 |
351 | AX1 | 0.8619 |
352 | LI7 | 0.8619 |
353 | 5E2 | 0.8618 |
354 | 245 | 0.8617 |
355 | FE5 | 0.8617 |
356 | BL4 | 0.8617 |
357 | 2QV | 0.8616 |
358 | 9MK | 0.8615 |
359 | MT6 | 0.8614 |
360 | 5KN | 0.8613 |
361 | 103 | 0.8613 |
362 | 3SU | 0.8613 |
363 | HZ8 | 0.8612 |
364 | 29F | 0.8612 |
365 | FLF | 0.8610 |
366 | 6FX | 0.8607 |
367 | D8Q | 0.8606 |
368 | UQ1 | 0.8605 |
369 | QEI | 0.8605 |
370 | AH9 | 0.8604 |
371 | WA2 | 0.8603 |
372 | 2UD | 0.8600 |
373 | LZ7 | 0.8600 |
374 | MYC | 0.8595 |
375 | BL6 | 0.8594 |
376 | EAA | 0.8592 |
377 | 9JT | 0.8592 |
378 | RF2 | 0.8590 |
379 | Y3L | 0.8588 |
380 | FF2 | 0.8588 |
381 | 06R | 0.8579 |
382 | 5V7 | 0.8577 |
383 | 8G6 | 0.8575 |
384 | 4UB | 0.8575 |
385 | LMZ | 0.8572 |
386 | A9B | 0.8571 |
387 | BDI | 0.8571 |
388 | 0HZ | 0.8570 |
389 | UMP | 0.8570 |
390 | 7Z5 | 0.8569 |
391 | 4AB | 0.8566 |
392 | JYN | 0.8566 |
393 | 64E | 0.8561 |
394 | NIF | 0.8559 |
395 | ZRK | 0.8557 |
396 | JP2 | 0.8556 |
397 | STV | 0.8549 |
398 | 27K | 0.8544 |
399 | UN3 | 0.8543 |
400 | 78P | 0.8540 |
401 | S7P | 0.8538 |
402 | MFR | 0.8532 |
403 | 2J1 | 0.8529 |
404 | 01I | 0.8519 |
405 | 2JK | 0.8507 |