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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 | 0.9537 |
2 | 4HG | 0.9426 |
3 | IXG | 0.9269 |
4 | AQN | 0.9265 |
5 | TYP | 0.9238 |
6 | C0V | 0.9199 |
7 | GEN | 0.9172 |
8 | 1V8 | 0.9167 |
9 | 5XK | 0.9164 |
10 | M3F | 0.9161 |
11 | 5M2 | 0.9152 |
12 | 0HY | 0.9151 |
13 | BXS | 0.9142 |
14 | E6Q | 0.9142 |
15 | NPX | 0.9136 |
16 | HBI | 0.9116 |
17 | 97K | 0.9105 |
18 | NEU | 0.9105 |
19 | H4B | 0.9102 |
20 | 109 | 0.9097 |
21 | L3L | 0.9092 |
22 | SJK | 0.9089 |
23 | 2JP | 0.9085 |
24 | B2E | 0.9085 |
25 | 4JV | 0.9079 |
26 | 20D | 0.9077 |
27 | 68C | 0.9076 |
28 | BIO | 0.9068 |
29 | D64 | 0.9063 |
30 | A73 | 0.9063 |
31 | 5XM | 0.9062 |
32 | WLH | 0.9059 |
33 | DFL | 0.9058 |
34 | 8M5 | 0.9055 |
35 | Q7U | 0.9054 |
36 | QUG | 0.9044 |
37 | AP6 | 0.9044 |
38 | H2B | 0.9042 |
39 | JVD | 0.9038 |
40 | AGI | 0.9037 |
41 | 1V1 | 0.9035 |
42 | A63 | 0.9030 |
43 | 88X | 0.9026 |
44 | T5J | 0.9025 |
45 | 9X0 | 0.9023 |
46 | KLV | 0.9023 |
47 | YE7 | 0.9012 |
48 | 6DQ | 0.9002 |
49 | KMP | 0.8996 |
50 | 6BK | 0.8994 |
51 | ZEA | 0.8994 |
52 | 0OK | 0.8986 |
53 | 272 | 0.8982 |
54 | 18E | 0.8982 |
55 | Q2S | 0.8980 |
56 | IKY | 0.8979 |
57 | DX6 | 0.8978 |
58 | PMM | 0.8978 |
59 | Q92 | 0.8976 |
60 | 25F | 0.8973 |
61 | NYJ | 0.8972 |
62 | NEO | 0.8968 |
63 | 3WL | 0.8965 |
64 | TVC | 0.8960 |
65 | 6JO | 0.8953 |
66 | 1EL | 0.8952 |
67 | OAL | 0.8948 |
68 | Q5M | 0.8947 |
69 | 5WK | 0.8946 |
70 | 5XL | 0.8943 |
71 | 1UZ | 0.8939 |
72 | 22T | 0.8937 |
73 | PNX | 0.8937 |
74 | 6JM | 0.8933 |
75 | CC6 | 0.8927 |
76 | NAR | 0.8927 |
77 | 27F | 0.8927 |
78 | 4ZF | 0.8921 |
79 | SZ5 | 0.8919 |
80 | 6QT | 0.8919 |
81 | QNM | 0.8917 |
82 | 4AB | 0.8914 |
83 | 6TJ | 0.8913 |
84 | AVX | 0.8910 |
85 | RGK | 0.8908 |
86 | 2JX | 0.8907 |
87 | TVZ | 0.8907 |
88 | QUE | 0.8906 |
89 | AV6 | 0.8904 |
90 | MRI | 0.8903 |
91 | 3F4 | 0.8902 |
92 | 3WN | 0.8900 |
93 | 3WO | 0.8900 |
94 | 5R9 | 0.8899 |
95 | 2GQ | 0.8893 |
96 | 4AU | 0.8892 |
97 | 1V3 | 0.8892 |
98 | RKY | 0.8891 |
99 | ALJ | 0.8890 |
100 | MN QAY | 0.8887 |
101 | 7A9 | 0.8887 |
102 | 5WW | 0.8886 |
103 | AO | 0.8885 |
104 | P83 | 0.8885 |
105 | EMU | 0.8884 |
106 | 00G | 0.8883 |
107 | 1V4 | 0.8881 |
108 | 7L4 | 0.8880 |
109 | M3W | 0.8880 |
110 | IXM | 0.8879 |
111 | 5NN | 0.8878 |
112 | 08C | 0.8877 |
113 | B4L | 0.8876 |
114 | F40 | 0.8876 |
115 | YEX | 0.8876 |
116 | DFV | 0.8875 |
117 | LU2 | 0.8872 |
118 | 7ZO | 0.8872 |
119 | HA6 | 0.8871 |
120 | NKI | 0.8871 |
121 | IDZ | 0.8869 |
122 | 2L2 | 0.8864 |
123 | E9L | 0.8863 |
124 | Z25 | 0.8863 |
125 | 3WK | 0.8861 |
126 | 7LU | 0.8859 |
127 | 0DJ | 0.8858 |
128 | 1HP | 0.8856 |
129 | LIG | 0.8854 |
130 | 7EH | 0.8852 |
131 | 1Q4 | 0.8852 |
132 | NRA | 0.8852 |
133 | FTK | 0.8850 |
134 | 7AP | 0.8850 |
135 | NOM | 0.8849 |
136 | SCE | 0.8848 |
137 | 57D | 0.8847 |
138 | FSU | 0.8847 |
139 | O9Z | 0.8844 |
140 | UAY | 0.8844 |
141 | JRO | 0.8842 |
142 | O9T | 0.8842 |
143 | SDN | 0.8839 |
144 | A05 | 0.8836 |
145 | MPU | 0.8835 |
146 | 40N | 0.8833 |
147 | M1D | 0.8832 |
148 | PIQ | 0.8826 |
149 | OLU | 0.8825 |
150 | X0T | 0.8820 |
151 | HH6 | 0.8817 |
152 | OUA | 0.8810 |
153 | STV | 0.8809 |
154 | D9Z | 0.8805 |
155 | H0V | 0.8804 |
156 | 4L2 | 0.8804 |
157 | O9Q | 0.8802 |
158 | E92 | 0.8800 |
159 | EY2 | 0.8798 |
160 | 9KZ | 0.8796 |
161 | X8E | 0.8794 |
162 | 205 | 0.8793 |
163 | 34L | 0.8793 |
164 | 2WU | 0.8790 |
165 | RHN | 0.8790 |
166 | LUM | 0.8788 |
167 | E98 | 0.8785 |
168 | HRD | 0.8784 |
169 | B5A | 0.8784 |
170 | AZN | 0.8783 |
171 | DDC | 0.8782 |
172 | 1V0 | 0.8781 |
173 | 6JP | 0.8781 |
174 | E3U | 0.8781 |
175 | WG8 | 0.8780 |
176 | H2W | 0.8780 |
177 | DQH | 0.8779 |
178 | 5C1 | 0.8778 |
179 | B21 | 0.8774 |
180 | ESJ | 0.8772 |
181 | CDJ | 0.8767 |
182 | D5F | 0.8765 |
183 | 2QU | 0.8765 |
184 | T21 | 0.8765 |
185 | 35K | 0.8765 |
186 | FX5 | 0.8764 |
187 | VT3 | 0.8762 |
188 | H35 | 0.8762 |
189 | MYU | 0.8761 |
190 | MUX | 0.8759 |
191 | W8L | 0.8758 |
192 | 5WS | 0.8757 |
193 | BMC | 0.8753 |
194 | P34 | 0.8751 |
195 | GJW | 0.8751 |
196 | MYC | 0.8750 |
197 | 1UR | 0.8749 |
198 | PRL | 0.8749 |
199 | Q9T | 0.8748 |
200 | WDW | 0.8747 |
201 | KTM | 0.8745 |
202 | P4L | 0.8743 |
203 | UN4 | 0.8740 |
204 | KTV | 0.8739 |
205 | G30 | 0.8736 |
206 | YE6 | 0.8736 |
207 | OUG | 0.8734 |
208 | 0SX | 0.8733 |
209 | 5VU | 0.8732 |
210 | S98 | 0.8731 |
211 | ZW2 | 0.8730 |
212 | 1AJ | 0.8729 |
213 | 1UT | 0.8729 |
214 | BGK | 0.8729 |
215 | 3JC | 0.8728 |
216 | QEI | 0.8727 |
217 | 7PS | 0.8726 |
218 | 3GX | 0.8726 |
219 | HUL | 0.8726 |
220 | U4J | 0.8726 |
221 | HRM | 0.8725 |
222 | BUX | 0.8722 |
223 | 5E1 | 0.8721 |
224 | ZRL | 0.8717 |
225 | 1SF | 0.8717 |
226 | 26A | 0.8716 |
227 | CX6 | 0.8716 |
228 | 5ER | 0.8715 |
229 | PW5 | 0.8713 |
230 | 0DF | 0.8711 |
231 | 1DR | 0.8710 |
232 | CDY | 0.8707 |
233 | MXM | 0.8706 |
234 | KXN | 0.8703 |
235 | CWE | 0.8703 |
236 | Z3R | 0.8700 |
237 | 52F | 0.8700 |
238 | 5WT | 0.8700 |
239 | 338 | 0.8699 |
240 | MBT | 0.8699 |
241 | LFN | 0.8698 |
242 | EMF | 0.8698 |
243 | 7PJ | 0.8697 |
244 | 4YF | 0.8696 |
245 | 2L1 | 0.8696 |
246 | CUE | 0.8695 |
247 | AV4 | 0.8695 |
248 | 9CE | 0.8694 |
249 | 6XC | 0.8692 |
250 | F91 | 0.8691 |
251 | BMZ | 0.8691 |
252 | SU9 | 0.8691 |
253 | WA2 | 0.8690 |
254 | 801 | 0.8688 |
255 | NU3 | 0.8687 |
256 | 4CN | 0.8687 |
257 | 2AX | 0.8687 |
258 | JF8 | 0.8686 |
259 | 5KN | 0.8684 |
260 | J1K | 0.8683 |
261 | ZEZ | 0.8681 |
262 | DX7 | 0.8678 |
263 | F36 | 0.8678 |
264 | 196 | 0.8678 |
265 | CR4 | 0.8674 |
266 | GNG | 0.8673 |
267 | ZJB | 0.8673 |
268 | LJ5 | 0.8671 |
269 | ALR | 0.8669 |
270 | TCR | 0.8669 |
271 | FCW | 0.8668 |
272 | GJG | 0.8668 |
273 | NIF | 0.8667 |
274 | 121 | 0.8667 |
275 | A9B | 0.8667 |
276 | DXK | 0.8667 |
277 | EQU | 0.8663 |
278 | NAL | 0.8662 |
279 | CZ0 | 0.8662 |
280 | A64 | 0.8661 |
281 | 91F | 0.8661 |
282 | C09 | 0.8661 |
283 | 2QV | 0.8660 |
284 | CMG | 0.8657 |
285 | BIT | 0.8654 |
286 | B7H | 0.8653 |
287 | EST | 0.8653 |
288 | UQ1 | 0.8650 |
289 | 122 | 0.8650 |
290 | L2K | 0.8650 |
291 | DT9 | 0.8649 |
292 | 6FX | 0.8649 |
293 | FSE | 0.8647 |
294 | LMZ | 0.8646 |
295 | 120 | 0.8645 |
296 | GZV | 0.8645 |
297 | 87F | 0.8642 |
298 | 0HV | 0.8642 |
299 | EMO | 0.8641 |
300 | 1XS | 0.8639 |
301 | 9JT | 0.8638 |
302 | O82 | 0.8638 |
303 | 5MX | 0.8636 |
304 | DH2 | 0.8635 |
305 | NW1 | 0.8634 |
306 | JFS | 0.8632 |
307 | 0UL | 0.8626 |
308 | XYP XYP | 0.8625 |
309 | 39Z | 0.8624 |
310 | HMZ | 0.8623 |
311 | GA2 | 0.8622 |
312 | CL9 | 0.8620 |
313 | HFT | 0.8618 |
314 | VXP | 0.8617 |
315 | 5E2 | 0.8613 |
316 | MT6 | 0.8612 |
317 | 041 | 0.8611 |
318 | GI2 | 0.8606 |
319 | TQ1 | 0.8605 |
320 | 78P | 0.8604 |
321 | 57U | 0.8603 |
322 | IQZ | 0.8602 |
323 | FYE | 0.8602 |
324 | BHF | 0.8595 |
325 | FLF | 0.8594 |
326 | D1Y | 0.8592 |
327 | 38E | 0.8591 |
328 | 0MB | 0.8589 |
329 | SNJ | 0.8588 |
330 | 4K2 | 0.8588 |
331 | HGH | 0.8587 |
332 | 5ZM | 0.8587 |
333 | 5DE | 0.8585 |
334 | 53X | 0.8583 |
335 | 124 | 0.8582 |
336 | IDD | 0.8582 |
337 | 6B5 | 0.8580 |
338 | MQR | 0.8580 |
339 | BVS | 0.8580 |
340 | ZRK | 0.8580 |
341 | 0RU | 0.8578 |
342 | XEV | 0.8577 |
343 | 9OF | 0.8576 |
344 | BJ4 | 0.8576 |
345 | NK5 | 0.8575 |
346 | AX1 | 0.8574 |
347 | HC8 | 0.8573 |
348 | MFR | 0.8572 |
349 | 6MD | 0.8569 |
350 | XDL XYP | 0.8565 |
351 | DT7 | 0.8564 |
352 | TEF | 0.8558 |
353 | LOT | 0.8557 |
354 | A8D | 0.8554 |
355 | 6WU | 0.8554 |
356 | 6DH | 0.8554 |
357 | RPN | 0.8554 |
358 | 39R | 0.8551 |
359 | AD6 | 0.8550 |
360 | V13 | 0.8550 |
361 | RF2 | 0.8549 |
362 | 802 | 0.8546 |
363 | LR2 | 0.8541 |
364 | 36K | 0.8538 |
365 | EDZ | 0.8536 |
366 | SAK | 0.8529 |
367 | 3DE | 0.8527 |
368 | 2P3 | 0.8525 |
369 | 8EU | 0.8515 |