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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 1331 families. | |||||
1 | 6CZI | Kd = 0.56 uM | 38E | C12 H10 F2 N2 O2 | CC1=N/C(=C.... |
2 | 6CZH | - | 38E | C12 H10 F2 N2 O2 | CC1=N/C(=C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6CZI | Kd = 0.56 uM | 38E | C12 H10 F2 N2 O2 | CC1=N/C(=C.... |
2 | 6CZH | - | 38E | C12 H10 F2 N2 O2 | CC1=N/C(=C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 38E | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MHB | 0.9444 |
2 | IIH | 0.9369 |
3 | U13 | 0.9366 |
4 | MR4 | 0.9355 |
5 | XYP XYP | 0.9333 |
6 | 2QU | 0.9313 |
7 | 6H2 | 0.9312 |
8 | L2K | 0.9291 |
9 | PCQ | 0.9288 |
10 | MR5 | 0.9282 |
11 | NE2 | 0.9271 |
12 | XYS XYP | 0.9269 |
13 | FY8 | 0.9263 |
14 | F18 | 0.9242 |
15 | IDZ | 0.9240 |
16 | C4E | 0.9234 |
17 | ERZ | 0.9219 |
18 | MR6 | 0.9218 |
19 | 2QV | 0.9204 |
20 | XDL XYP | 0.9201 |
21 | 6BK | 0.9195 |
22 | XIL | 0.9192 |
23 | 0SY | 0.9180 |
24 | XDN XYP | 0.9176 |
25 | XYP XDN | 0.9176 |
26 | ZRL | 0.9163 |
27 | U14 | 0.9161 |
28 | 28A | 0.9161 |
29 | ZRK | 0.9160 |
30 | NW1 | 0.9152 |
31 | UL1 | 0.9142 |
32 | 3D8 | 0.9140 |
33 | AOY | 0.9140 |
34 | 5E5 | 0.9131 |
35 | PIQ | 0.9130 |
36 | 7FZ | 0.9130 |
37 | RE4 | 0.9128 |
38 | CJZ | 0.9128 |
39 | LI4 | 0.9127 |
40 | 1XS | 0.9123 |
41 | DMB | 0.9122 |
42 | AHR AHR | 0.9119 |
43 | 7G2 | 0.9114 |
44 | UAY | 0.9114 |
45 | WCU | 0.9111 |
46 | MJW | 0.9097 |
47 | 47V | 0.9097 |
48 | 041 | 0.9093 |
49 | 9JT | 0.9092 |
50 | 4GU | 0.9089 |
51 | 3IP | 0.9087 |
52 | 8M5 | 0.9086 |
53 | A51 | 0.9077 |
54 | 1V8 | 0.9071 |
55 | UKV | 0.9069 |
56 | XYS XYS | 0.9068 |
57 | FYR | 0.9065 |
58 | ISX | 0.9064 |
59 | JF8 | 0.9058 |
60 | 833 | 0.9057 |
61 | MUK | 0.9055 |
62 | EMU | 0.9038 |
63 | 0ON | 0.9034 |
64 | 5S9 | 0.9028 |
65 | XYP XIF | 0.9027 |
66 | XIF XYP | 0.9027 |
67 | 7EH | 0.9026 |
68 | 68B | 0.9026 |
69 | DFL | 0.9021 |
70 | LR2 | 0.9019 |
71 | 20D | 0.9018 |
72 | 4G2 | 0.9016 |
73 | 3F4 | 0.9016 |
74 | LUM | 0.9010 |
75 | FHV | 0.9009 |
76 | RGK | 0.9009 |
77 | AVX | 0.9008 |
78 | TOH | 0.9007 |
79 | SZ5 | 0.9004 |
80 | LU2 | 0.9003 |
81 | G2V | 0.9002 |
82 | CX6 | 0.9001 |
83 | 1HP | 0.9001 |
84 | 397 | 0.8996 |
85 | P4T | 0.8996 |
86 | 697 | 0.8995 |
87 | 1V1 | 0.8994 |
88 | 7D0 | 0.8994 |
89 | EDG AHR | 0.8990 |
90 | 0UL | 0.8987 |
91 | TH1 | 0.8987 |
92 | 0X2 | 0.8984 |
93 | 5B2 | 0.8983 |
94 | 0DF | 0.8982 |
95 | H35 | 0.8980 |
96 | 7ZO | 0.8979 |
97 | A73 | 0.8976 |
98 | 2P3 | 0.8975 |
99 | FQX | 0.8974 |
100 | 4CN | 0.8974 |
101 | 11X | 0.8973 |
102 | 6ZE | 0.8966 |
103 | 25F | 0.8964 |
104 | 0K7 | 0.8962 |
105 | 245 | 0.8960 |
106 | NAB | 0.8958 |
107 | C0H | 0.8958 |
108 | 0NJ | 0.8957 |
109 | NQE | 0.8954 |
110 | LJ1 | 0.8952 |
111 | WLH | 0.8952 |
112 | ZMG | 0.8952 |
113 | ZTW | 0.8951 |
114 | X2M | 0.8950 |
115 | 272 | 0.8947 |
116 | IMK | 0.8946 |
117 | IDD | 0.8944 |
118 | AUY | 0.8943 |
119 | CBE | 0.8942 |
120 | 5VU | 0.8941 |
121 | XI7 | 0.8940 |
122 | Q4G | 0.8940 |
123 | 2PK | 0.8937 |
124 | 2PV | 0.8936 |
125 | VT3 | 0.8934 |
126 | BGC BGC | 0.8932 |
127 | TPM | 0.8931 |
128 | 5WK | 0.8926 |
129 | PE2 | 0.8925 |
130 | A9B | 0.8922 |
131 | NKI | 0.8921 |
132 | JRO | 0.8921 |
133 | 18E | 0.8920 |
134 | CZ0 | 0.8919 |
135 | S0D | 0.8919 |
136 | CMG | 0.8919 |
137 | NQ7 | 0.8918 |
138 | QC1 | 0.8918 |
139 | SQM | 0.8917 |
140 | 7L4 | 0.8916 |
141 | A63 | 0.8914 |
142 | XYP XYS | 0.8912 |
143 | 8KW | 0.8910 |
144 | NX1 | 0.8907 |
145 | B4L | 0.8903 |
146 | 5TU | 0.8901 |
147 | 4AU | 0.8901 |
148 | 4L2 | 0.8900 |
149 | 3RP | 0.8899 |
150 | 5AD | 0.8897 |
151 | 3WK | 0.8897 |
152 | 5NN | 0.8897 |
153 | 2D2 | 0.8897 |
154 | 9CE | 0.8895 |
155 | 97K | 0.8895 |
156 | 28B | 0.8895 |
157 | 6T5 | 0.8895 |
158 | KHP | 0.8893 |
159 | NXB | 0.8891 |
160 | B5A | 0.8889 |
161 | AGI | 0.8889 |
162 | A5H | 0.8888 |
163 | 6EN | 0.8888 |
164 | IQQ | 0.8887 |
165 | PRH | 0.8882 |
166 | 6LW AHR | 0.8881 |
167 | IW1 | 0.8881 |
168 | H32 | 0.8881 |
169 | GWD | 0.8878 |
170 | DNQ | 0.8878 |
171 | H2W | 0.8875 |
172 | NU3 | 0.8875 |
173 | LJ5 | 0.8875 |
174 | CDJ | 0.8873 |
175 | EAT | 0.8872 |
176 | Q0K | 0.8871 |
177 | 5ER | 0.8869 |
178 | DS8 | 0.8869 |
179 | OUA | 0.8868 |
180 | 7ZL | 0.8867 |
181 | DXK | 0.8865 |
182 | DZ1 | 0.8863 |
183 | IEE | 0.8863 |
184 | CNI | 0.8862 |
185 | EES | 0.8862 |
186 | NOY BGC | 0.8862 |
187 | 78Y | 0.8861 |
188 | 08C | 0.8861 |
189 | P4L | 0.8860 |
190 | OUG | 0.8860 |
191 | 6FX | 0.8859 |
192 | E9L | 0.8858 |
193 | W8L | 0.8853 |
194 | U12 | 0.8853 |
195 | 53X | 0.8852 |
196 | EST | 0.8851 |
197 | M3W | 0.8851 |
198 | 4ZF | 0.8850 |
199 | 3GX | 0.8849 |
200 | BZC | 0.8849 |
201 | D64 | 0.8846 |
202 | LZ5 | 0.8843 |
203 | GA2 | 0.8841 |
204 | 1UZ | 0.8837 |
205 | L5D | 0.8837 |
206 | XCG | 0.8835 |
207 | 4FP | 0.8834 |
208 | 4FF | 0.8832 |
209 | CHQ | 0.8831 |
210 | PRL | 0.8830 |
211 | G30 | 0.8827 |
212 | HH6 | 0.8826 |
213 | GJB | 0.8826 |
214 | AQ1 | 0.8826 |
215 | 27M | 0.8826 |
216 | ZEA | 0.8825 |
217 | U19 | 0.8825 |
218 | WA1 | 0.8823 |
219 | IFM BGC | 0.8821 |
220 | 3D1 | 0.8820 |
221 | 9RM | 0.8820 |
222 | BGC OXZ | 0.8820 |
223 | 2LT | 0.8816 |
224 | OLU | 0.8816 |
225 | 5ZM | 0.8814 |
226 | 6TJ | 0.8812 |
227 | LJ2 | 0.8809 |
228 | Q2S | 0.8808 |
229 | T5J | 0.8807 |
230 | OJD | 0.8806 |
231 | X48 | 0.8806 |
232 | 6JP | 0.8806 |
233 | DAH | 0.8804 |
234 | NAR | 0.8803 |
235 | 1FL | 0.8803 |
236 | T21 | 0.8803 |
237 | 6DQ | 0.8803 |
238 | BGC GAL | 0.8801 |
239 | 27F | 0.8797 |
240 | 0FR | 0.8795 |
241 | 0OK | 0.8795 |
242 | GNG | 0.8794 |
243 | 2WU | 0.8793 |
244 | NFL | 0.8793 |
245 | CL9 | 0.8791 |
246 | F40 | 0.8790 |
247 | 92O | 0.8789 |
248 | 91F | 0.8789 |
249 | 9MR | 0.8788 |
250 | S98 | 0.8787 |
251 | 338 | 0.8786 |
252 | QUE | 0.8785 |
253 | PA1 GCS | 0.8783 |
254 | H4B | 0.8781 |
255 | ADN | 0.8781 |
256 | 6WU | 0.8779 |
257 | FZM | 0.8779 |
258 | 3SU | 0.8776 |
259 | GCS GCS | 0.8772 |
260 | 7G0 | 0.8771 |
261 | 6J3 | 0.8769 |
262 | AX5 | 0.8769 |
263 | YE6 | 0.8769 |
264 | SJR | 0.8768 |
265 | 5BX | 0.8767 |
266 | DBS | 0.8766 |
267 | 3L1 | 0.8765 |
268 | 801 | 0.8765 |
269 | 5CK | 0.8764 |
270 | 1ZC | 0.8764 |
271 | 3Q0 | 0.8763 |
272 | Q7U | 0.8762 |
273 | GLC GLA | 0.8761 |
274 | STL | 0.8760 |
275 | 3DT | 0.8760 |
276 | XEV | 0.8760 |
277 | E3X | 0.8759 |
278 | 124 | 0.8759 |
279 | 4F8 | 0.8758 |
280 | ZSP | 0.8756 |
281 | 5CJ | 0.8754 |
282 | ZYC | 0.8753 |
283 | MT6 | 0.8751 |
284 | 5C1 | 0.8751 |
285 | 0XR | 0.8750 |
286 | HWB | 0.8750 |
287 | BGU | 0.8750 |
288 | 1DR | 0.8750 |
289 | JGB | 0.8750 |
290 | JFS | 0.8746 |
291 | NE1 | 0.8746 |
292 | ABL | 0.8746 |
293 | G6P | 0.8746 |
294 | NRA | 0.8746 |
295 | S60 | 0.8742 |
296 | B21 | 0.8742 |
297 | 3WL | 0.8740 |
298 | WDW | 0.8735 |
299 | MYC | 0.8733 |
300 | Q92 | 0.8733 |
301 | 3VQ | 0.8732 |
302 | 6C4 | 0.8731 |
303 | IA2 | 0.8731 |
304 | 56N | 0.8731 |
305 | BBY | 0.8730 |
306 | TCR | 0.8729 |
307 | GLC GAL | 0.8728 |
308 | 6QT | 0.8727 |
309 | QME | 0.8727 |
310 | 1V4 | 0.8726 |
311 | 1V3 | 0.8723 |
312 | DGO Z61 | 0.8723 |
313 | MHD GAL | 0.8721 |
314 | MXD | 0.8721 |
315 | LFN | 0.8718 |
316 | 94X | 0.8717 |
317 | HRM | 0.8717 |
318 | 4HB | 0.8716 |
319 | BMZ | 0.8715 |
320 | 122 | 0.8715 |
321 | ELH | 0.8714 |
322 | 5OR | 0.8714 |
323 | 120 | 0.8714 |
324 | S1D | 0.8714 |
325 | TYP | 0.8713 |
326 | 6C5 | 0.8711 |
327 | 6JM | 0.8711 |
328 | A6W | 0.8711 |
329 | JSX | 0.8708 |
330 | TVC | 0.8706 |
331 | AP6 | 0.8706 |
332 | LR8 | 0.8703 |
333 | FBC | 0.8703 |
334 | BP7 | 0.8702 |
335 | RSV | 0.8701 |
336 | 6FB | 0.8700 |
337 | NOS | 0.8700 |
338 | DX2 | 0.8698 |
339 | 6C8 | 0.8697 |
340 | LJ3 | 0.8695 |
341 | THM | 0.8694 |
342 | FC2 | 0.8693 |
343 | TMG | 0.8690 |
344 | BVB | 0.8690 |
345 | II4 | 0.8690 |
346 | J3Z | 0.8689 |
347 | FSE | 0.8688 |
348 | CC5 | 0.8686 |
349 | 6MW | 0.8685 |
350 | 5WW | 0.8683 |
351 | CR4 | 0.8682 |
352 | IW6 | 0.8682 |
353 | 2M7 | 0.8682 |
354 | 1UT | 0.8681 |
355 | GLC BGC | 0.8680 |
356 | 36K | 0.8679 |
357 | KYN | 0.8676 |
358 | 4P9 | 0.8674 |
359 | 5P3 | 0.8674 |
360 | WG8 | 0.8673 |
361 | 1V0 | 0.8671 |
362 | K7H | 0.8670 |
363 | JWS | 0.8670 |
364 | A64 | 0.8669 |
365 | 1UR | 0.8666 |
366 | ITE | 0.8665 |
367 | EQU | 0.8665 |
368 | IW3 | 0.8665 |
369 | LI7 | 0.8664 |
370 | AUV | 0.8663 |
371 | HRD | 0.8662 |
372 | Q9T | 0.8660 |
373 | IXM | 0.8657 |
374 | BMA IFM | 0.8657 |
375 | 5R9 | 0.8657 |
376 | KLS | 0.8655 |
377 | FMB | 0.8655 |
378 | 1EL | 0.8651 |
379 | BJ4 | 0.8651 |
380 | GEN | 0.8650 |
381 | AV6 | 0.8650 |
382 | JMG | 0.8649 |
383 | LOX XYP | 0.8648 |
384 | 4K2 | 0.8646 |
385 | 2PW | 0.8644 |
386 | NIY | 0.8643 |
387 | 4FC | 0.8641 |
388 | ZHA | 0.8641 |
389 | 2L1 | 0.8640 |
390 | 5SD | 0.8640 |
391 | BG6 | 0.8640 |
392 | U4J | 0.8634 |
393 | ANC | 0.8627 |
394 | 8HH | 0.8625 |
395 | 2Q0 | 0.8623 |
396 | 5F8 | 0.8622 |
397 | 2FA | 0.8620 |
398 | 1G9 | 0.8620 |
399 | JNW | 0.8617 |
400 | 0MB | 0.8613 |
401 | BRY | 0.8613 |
402 | C82 | 0.8613 |
403 | GNW | 0.8610 |
404 | FCD | 0.8606 |
405 | DHC | 0.8605 |
406 | AVA | 0.8602 |
407 | E6Q | 0.8601 |
408 | D9Z | 0.8600 |
409 | BIO | 0.8596 |
410 | G14 | 0.8592 |
411 | S7D | 0.8592 |
412 | FNT | 0.8591 |
413 | SGW | 0.8590 |
414 | GMP | 0.8589 |
415 | ESJ | 0.8589 |
416 | A5Q | 0.8587 |
417 | 6P3 | 0.8586 |
418 | 613 | 0.8584 |
419 | 5N5 | 0.8583 |
420 | 8G6 | 0.8580 |
421 | 5FL | 0.8580 |
422 | 1SF | 0.8575 |
423 | KWV | 0.8572 |
424 | 83D | 0.8572 |
425 | ZIP | 0.8566 |
426 | TIA | 0.8565 |
427 | 6FG | 0.8561 |
428 | 1AJ | 0.8560 |
429 | BU7 | 0.8560 |
430 | FER | 0.8560 |
431 | 1Q4 | 0.8559 |
432 | 5CQ | 0.8559 |
433 | BSU | 0.8557 |
434 | PZX | 0.8555 |
435 | KMP | 0.8552 |
436 | 5FD | 0.8552 |
437 | 6QF | 0.8550 |
438 | CX5 | 0.8543 |
439 | 1ER | 0.8538 |
440 | 68C | 0.8535 |
441 | 5TO | 0.8535 |
442 | GB5 | 0.8531 |
443 | 5ID | 0.8523 |
444 | TCC | 0.8517 |
445 | 797 | 0.8516 |
446 | 2GD | 0.8504 |
This union binding pocket(no: 1) in the query (biounit: 6czi.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6czi.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |