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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 4 families. | |||||
1 | 4OAL | - | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
2 | 5HMR | ic50 = 35 uM | FDZ | C10 H7 F3 N4 O2 S | c1cc(cc(c1.... |
3 | 6YAP | ic50 = 0.37 uM | OHZ | C16 H14 Cl F3 N2 O3 | c1ccc(c(c1.... |
4 | 5HHZ | - | ZME | C10 H9 N5 | Cc1ccn(c1).... |
5 | 5HQX | ic50 = 120 uM | EDZ | C11 H12 N4 O2 S | c1ccc(c(c1.... |
6 | 6YAO | ic50 = 1.5 uM | OJ2 | C16 H15 F3 N2 O3 | c1ccc(c(c1.... |
7 | 4O95 | - | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4OAL | - | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
2 | 5HMR | ic50 = 35 uM | FDZ | C10 H7 F3 N4 O2 S | c1cc(cc(c1.... |
3 | 6YAP | ic50 = 0.37 uM | OHZ | C16 H14 Cl F3 N2 O3 | c1ccc(c(c1.... |
4 | 5HHZ | - | ZME | C10 H9 N5 | Cc1ccn(c1).... |
5 | 5HQX | ic50 = 120 uM | EDZ | C11 H12 N4 O2 S | c1ccc(c(c1.... |
6 | 6YAO | ic50 = 1.5 uM | OJ2 | C16 H15 F3 N2 O3 | c1ccc(c(c1.... |
7 | 4O95 | - | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
8 | 2Q4W | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
9 | 1W1Q | - | ZIP | C10 H13 N5 | CC(=CCNc1c.... |
10 | 2QKN | ic50 = 18 uM | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
11 | 2QPM | ic50 = 42 uM | 246 | C13 H12 Cl N3 O | c1ccc(cc1).... |
12 | 3KJM | ic50 = 1.5 uM | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
13 | 1W1S | - | EMU | C12 H11 N5 | c1ccc(cc1).... |
14 | 1W1R | - | ZEA | C10 H13 N5 O | C/C(=CCNc1.... |
15 | 6YAQ | ic50 = 0.059 uM | OHZ | C16 H14 Cl F3 N2 O3 | c1ccc(c(c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | WA1 | 0.9685 |
2 | ZTW | 0.9580 |
3 | D26 | 0.9521 |
4 | 39R | 0.9520 |
5 | 9EG | 0.9495 |
6 | MR4 | 0.9484 |
7 | 6H2 | 0.9453 |
8 | G2V | 0.9453 |
9 | STL | 0.9449 |
10 | MR5 | 0.9446 |
11 | D25 | 0.9432 |
12 | PIT | 0.9415 |
13 | 7FZ | 0.9411 |
14 | 2OX | 0.9337 |
15 | IDZ | 0.9315 |
16 | LJ5 | 0.9312 |
17 | 4RG | 0.9299 |
18 | 397 | 0.9290 |
19 | 4P9 | 0.9284 |
20 | FHV | 0.9283 |
21 | CIU | 0.9277 |
22 | F18 | 0.9273 |
23 | MR6 | 0.9270 |
24 | 8M5 | 0.9267 |
25 | 5E5 | 0.9264 |
26 | S0A | 0.9258 |
27 | U13 | 0.9244 |
28 | MKN | 0.9243 |
29 | ZRK | 0.9240 |
30 | LZ4 | 0.9233 |
31 | UAY | 0.9225 |
32 | PIQ | 0.9223 |
33 | OLU | 0.9217 |
34 | RF2 | 0.9214 |
35 | 4CN | 0.9213 |
36 | IIH | 0.9209 |
37 | F5N | 0.9208 |
38 | IW3 | 0.9203 |
39 | 47V | 0.9195 |
40 | A51 | 0.9194 |
41 | 041 | 0.9194 |
42 | 5TO | 0.9189 |
43 | KLS | 0.9185 |
44 | 0MB | 0.9182 |
45 | 1Q1 | 0.9179 |
46 | C4E | 0.9179 |
47 | A9B | 0.9178 |
48 | 6C8 | 0.9177 |
49 | 7EH | 0.9175 |
50 | 120 | 0.9174 |
51 | 1HP | 0.9174 |
52 | 9JT | 0.9171 |
53 | ZRL | 0.9170 |
54 | S16 | 0.9170 |
55 | 0NJ | 0.9166 |
56 | AU6 | 0.9162 |
57 | L2K | 0.9162 |
58 | 2QU | 0.9159 |
59 | AOY | 0.9156 |
60 | LJ1 | 0.9156 |
61 | EDZ | 0.9155 |
62 | 801 | 0.9147 |
63 | EMU | 0.9145 |
64 | TEF | 0.9141 |
65 | 0SY | 0.9139 |
66 | EEY | 0.9138 |
67 | LJ2 | 0.9137 |
68 | GW9 | 0.9136 |
69 | SJR | 0.9136 |
70 | LR8 | 0.9135 |
71 | 68C | 0.9133 |
72 | BMZ | 0.9132 |
73 | 833 | 0.9129 |
74 | ESJ | 0.9124 |
75 | LIG | 0.9123 |
76 | 121 | 0.9122 |
77 | 0UL | 0.9117 |
78 | 124 | 0.9112 |
79 | 4AU | 0.9112 |
80 | M4N | 0.9110 |
81 | BVB | 0.9106 |
82 | S0D | 0.9105 |
83 | RSV | 0.9102 |
84 | CR4 | 0.9100 |
85 | NU3 | 0.9099 |
86 | AGI | 0.9098 |
87 | C0V | 0.9098 |
88 | 6BK | 0.9091 |
89 | 5VU | 0.9090 |
90 | 1Q2 | 0.9088 |
91 | 5TU | 0.9086 |
92 | IW4 | 0.9073 |
93 | JMG | 0.9069 |
94 | 1XS | 0.9068 |
95 | 7G2 | 0.9066 |
96 | 0DF | 0.9065 |
97 | 4BX | 0.9064 |
98 | Q92 | 0.9061 |
99 | 5OR | 0.9056 |
100 | 802 | 0.9055 |
101 | H32 | 0.9055 |
102 | BXS | 0.9053 |
103 | 1V8 | 0.9052 |
104 | BX4 | 0.9050 |
105 | 6FG | 0.9049 |
106 | HPK | 0.9047 |
107 | O9Z | 0.9047 |
108 | U55 | 0.9046 |
109 | 0XR | 0.9046 |
110 | 3WL | 0.9046 |
111 | TVC | 0.9044 |
112 | MHB | 0.9044 |
113 | BFL | 0.9040 |
114 | 697 | 0.9037 |
115 | IPJ | 0.9036 |
116 | 72G | 0.9036 |
117 | S0B | 0.9034 |
118 | KLE | 0.9033 |
119 | EES | 0.9032 |
120 | 0K7 | 0.9031 |
121 | 6P3 | 0.9031 |
122 | 83D | 0.9029 |
123 | 6C5 | 0.9029 |
124 | 8CC | 0.9029 |
125 | 1R5 | 0.9028 |
126 | RE2 | 0.9028 |
127 | 68Q | 0.9028 |
128 | 123 | 0.9025 |
129 | 2J1 | 0.9025 |
130 | L02 | 0.9024 |
131 | TID | 0.9024 |
132 | D8B | 0.9022 |
133 | U14 | 0.9021 |
134 | MJW | 0.9020 |
135 | 334 | 0.9017 |
136 | P4T | 0.9017 |
137 | O9T | 0.9017 |
138 | LU2 | 0.9017 |
139 | 4FC | 0.9014 |
140 | 2QV | 0.9014 |
141 | IW5 | 0.9013 |
142 | MRE | 0.9012 |
143 | CT0 | 0.9012 |
144 | OUG | 0.9008 |
145 | 20D | 0.9007 |
146 | 23M | 0.9005 |
147 | 2P3 | 0.9005 |
148 | 6FX | 0.9004 |
149 | Z3R | 0.9004 |
150 | 907 | 0.9002 |
151 | 6T5 | 0.9002 |
152 | 122 | 0.9001 |
153 | OUA | 0.8999 |
154 | FBC | 0.8998 |
155 | KWV | 0.8997 |
156 | IJ1 | 0.8995 |
157 | HWB | 0.8993 |
158 | AP6 | 0.8991 |
159 | 97K | 0.8989 |
160 | HCC | 0.8987 |
161 | MT6 | 0.8987 |
162 | AD6 | 0.8986 |
163 | 0V7 | 0.8982 |
164 | NAR | 0.8981 |
165 | 2JX | 0.8981 |
166 | 8E3 | 0.8979 |
167 | 3VQ | 0.8976 |
168 | 1OT | 0.8975 |
169 | 135 | 0.8970 |
170 | BVS | 0.8968 |
171 | 72D | 0.8967 |
172 | HPZ | 0.8966 |
173 | 57D | 0.8966 |
174 | SZ5 | 0.8965 |
175 | LZ7 | 0.8963 |
176 | XYP XYP | 0.8962 |
177 | 38E | 0.8960 |
178 | NKI | 0.8958 |
179 | N5B | 0.8956 |
180 | WG8 | 0.8953 |
181 | A05 | 0.8953 |
182 | F02 | 0.8950 |
183 | JL7 | 0.8949 |
184 | 5ER | 0.8948 |
185 | 3Q0 | 0.8943 |
186 | PQM | 0.8940 |
187 | CWE | 0.8939 |
188 | 1V1 | 0.8938 |
189 | 6C4 | 0.8936 |
190 | GEN | 0.8936 |
191 | 5B2 | 0.8934 |
192 | LC1 | 0.8932 |
193 | LR2 | 0.8929 |
194 | HPX | 0.8927 |
195 | 3F4 | 0.8926 |
196 | DZ3 | 0.8926 |
197 | T21 | 0.8924 |
198 | 4ZF | 0.8923 |
199 | WF4 | 0.8921 |
200 | 3K1 | 0.8919 |
201 | 4KN | 0.8918 |
202 | A8D | 0.8918 |
203 | A63 | 0.8918 |
204 | JF5 | 0.8916 |
205 | 18E | 0.8914 |
206 | L43 | 0.8914 |
207 | 4B8 | 0.8912 |
208 | YE6 | 0.8910 |
209 | 5TT | 0.8909 |
210 | WLH | 0.8905 |
211 | 3MI | 0.8902 |
212 | 1EB | 0.8901 |
213 | 6DQ | 0.8900 |
214 | 8V8 | 0.8900 |
215 | Z94 | 0.8900 |
216 | 7G0 | 0.8899 |
217 | ZHA | 0.8898 |
218 | XYS XYS | 0.8897 |
219 | ZEA | 0.8896 |
220 | XCG | 0.8896 |
221 | ITE | 0.8893 |
222 | A6W | 0.8892 |
223 | ZUF | 0.8892 |
224 | 4UM | 0.8890 |
225 | 338 | 0.8890 |
226 | JCQ | 0.8886 |
227 | 6TJ | 0.8885 |
228 | 8E6 | 0.8885 |
229 | CMG | 0.8880 |
230 | 4AJ | 0.8879 |
231 | YE7 | 0.8879 |
232 | 90G | 0.8878 |
233 | E9L | 0.8878 |
234 | CDX | 0.8877 |
235 | CX6 | 0.8875 |
236 | T5J | 0.8873 |
237 | 1UT | 0.8870 |
238 | DFL | 0.8870 |
239 | 4TX | 0.8869 |
240 | 6QT | 0.8867 |
241 | WA2 | 0.8867 |
242 | 2M7 | 0.8867 |
243 | RGK | 0.8866 |
244 | ODK | 0.8865 |
245 | LUM | 0.8864 |
246 | 1UR | 0.8863 |
247 | A26 | 0.8862 |
248 | 1UA | 0.8860 |
249 | A9E | 0.8857 |
250 | ZYC | 0.8857 |
251 | CDJ | 0.8856 |
252 | 2D2 | 0.8855 |
253 | 6JP | 0.8855 |
254 | LWA | 0.8855 |
255 | A73 | 0.8852 |
256 | A64 | 0.8851 |
257 | 1V4 | 0.8851 |
258 | 4FF | 0.8847 |
259 | RDV | 0.8844 |
260 | IJ6 | 0.8844 |
261 | XAV | 0.8842 |
262 | NE2 | 0.8841 |
263 | TMG | 0.8839 |
264 | KWD | 0.8835 |
265 | 1V0 | 0.8829 |
266 | F40 | 0.8828 |
267 | VT3 | 0.8827 |
268 | 1DR | 0.8824 |
269 | AZB | 0.8824 |
270 | M3W | 0.8823 |
271 | ML1 | 0.8823 |
272 | 5WW | 0.8821 |
273 | JF8 | 0.8818 |
274 | 25F | 0.8817 |
275 | W8L | 0.8816 |
276 | PRL | 0.8814 |
277 | J2W | 0.8814 |
278 | BRY | 0.8812 |
279 | 3D3 | 0.8811 |
280 | U12 | 0.8809 |
281 | QUE | 0.8809 |
282 | NNF | 0.8806 |
283 | 2WU | 0.8805 |
284 | CX5 | 0.8804 |
285 | K7H | 0.8802 |
286 | 5H6 | 0.8802 |
287 | 9M9 | 0.8801 |
288 | P4L | 0.8801 |
289 | 3N0 | 0.8800 |
290 | FZM | 0.8795 |
291 | H2W | 0.8795 |
292 | ESM | 0.8794 |
293 | BZC | 0.8792 |
294 | S98 | 0.8792 |
295 | IDD | 0.8791 |
296 | BUX | 0.8791 |
297 | NW1 | 0.8790 |
298 | 20N | 0.8787 |
299 | SU9 | 0.8786 |
300 | 79X | 0.8783 |
301 | 3VS | 0.8782 |
302 | GOE | 0.8779 |
303 | 2UV | 0.8778 |
304 | 8EC | 0.8777 |
305 | FDZ | 0.8776 |
306 | PZX | 0.8776 |
307 | NDD | 0.8774 |
308 | G14 | 0.8773 |
309 | EST | 0.8772 |
310 | 3RL | 0.8770 |
311 | BBP | 0.8768 |
312 | 1V3 | 0.8768 |
313 | ECS | 0.8766 |
314 | 5NN | 0.8763 |
315 | HUL | 0.8762 |
316 | JP8 | 0.8762 |
317 | KMP | 0.8761 |
318 | 08C | 0.8760 |
319 | A5Q | 0.8760 |
320 | BUN | 0.8759 |
321 | JMM | 0.8758 |
322 | HRM | 0.8757 |
323 | ZZA | 0.8757 |
324 | 35K | 0.8755 |
325 | EQU | 0.8755 |
326 | 1FL | 0.8754 |
327 | NFZ | 0.8751 |
328 | 6VW | 0.8751 |
329 | FER | 0.8749 |
330 | 79V | 0.8747 |
331 | 5EZ | 0.8745 |
332 | 6X1 | 0.8743 |
333 | 1UZ | 0.8743 |
334 | 8D6 | 0.8741 |
335 | 6F3 | 0.8739 |
336 | STV | 0.8739 |
337 | 4G2 | 0.8734 |
338 | 6C9 | 0.8734 |
339 | 6MW | 0.8731 |
340 | NBZ GLA | 0.8729 |
341 | QIV | 0.8728 |
342 | 06R | 0.8727 |
343 | G1L | 0.8726 |
344 | E6Q | 0.8725 |
345 | AO | 0.8725 |
346 | E98 | 0.8724 |
347 | X2M | 0.8724 |
348 | JGY | 0.8723 |
349 | J1K | 0.8723 |
350 | AV6 | 0.8721 |
351 | LI7 | 0.8720 |
352 | 27F | 0.8720 |
353 | AJG | 0.8720 |
354 | F08 | 0.8718 |
355 | VC3 | 0.8718 |
356 | 3GX | 0.8717 |
357 | 39Z | 0.8714 |
358 | E3X | 0.8713 |
359 | D9Z | 0.8713 |
360 | RDT | 0.8711 |
361 | GN5 | 0.8710 |
362 | 2PK | 0.8709 |
363 | BU7 | 0.8700 |
364 | 5M2 | 0.8699 |
365 | O53 | 0.8697 |
366 | 2PV | 0.8697 |
367 | 29F | 0.8696 |
368 | DX2 | 0.8693 |
369 | A5H | 0.8692 |
370 | JAH | 0.8689 |
371 | J8D | 0.8689 |
372 | SGW | 0.8688 |
373 | 797 | 0.8688 |
374 | 7FU | 0.8687 |
375 | M83 | 0.8684 |
376 | JBB | 0.8683 |
377 | 47X | 0.8679 |
378 | BJ4 | 0.8677 |
379 | FQX | 0.8677 |
380 | 2X1 | 0.8676 |
381 | 6SD | 0.8671 |
382 | DTB | 0.8669 |
383 | J3Z | 0.8668 |
384 | GB5 | 0.8667 |
385 | 9CE | 0.8667 |
386 | HWH | 0.8665 |
387 | F36 | 0.8664 |
388 | 2PW | 0.8661 |
389 | 6ZE | 0.8660 |
390 | 6JO | 0.8657 |
391 | DXK | 0.8657 |
392 | MQR | 0.8653 |
393 | Q7U | 0.8647 |
394 | 1SX | 0.8647 |
395 | 789 | 0.8646 |
396 | GVI | 0.8637 |
397 | 3D8 | 0.8630 |
398 | JCZ | 0.8629 |
399 | OQR | 0.8629 |
400 | 4HB | 0.8627 |
401 | N08 | 0.8624 |
402 | M28 | 0.8623 |
403 | W2E | 0.8620 |
404 | DMB | 0.8620 |
405 | UN9 | 0.8617 |
406 | B1J | 0.8617 |
407 | PW5 | 0.8616 |
408 | L03 | 0.8616 |
409 | ZIP | 0.8616 |
410 | TCR | 0.8615 |
411 | X2L | 0.8610 |
412 | KU1 | 0.8609 |
413 | 272 | 0.8605 |
414 | G27 | 0.8604 |
415 | 91F | 0.8603 |
416 | 5XM | 0.8595 |
417 | XI7 | 0.8594 |
418 | 34L | 0.8571 |
419 | IXM | 0.8566 |
420 | 78Y | 0.8563 |
421 | 4BE | 0.8561 |
422 | M78 | 0.8546 |
423 | HRG | 0.8541 |
424 | 2FX | 0.8535 |
425 | MYC | 0.8520 |
426 | CUE | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 6yap.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |