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- 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 27 families. | |||||
1 | 5H1V | Kd = 34 uM | 7FU | C8 H9 N5 O S | c1cc2c(cc1.... |
2 | 5H1U | Kd = 63 uM | 6KT | C8 H7 N3 O S | c1cc2c(cc1.... |
3 | 4YBM | ic50 = 0.14 uM | 4BJ | C30 H29 N3 O7 S | CN1c2cc(c(.... |
4 | 4YAX | ic50 = 1.5 uM | 4AE | C22 H21 N3 O5 S | CN1c2cc(c(.... |
5 | 3O36 | - | GLY ALA ALY ARG HIS ARG | n/a | n/a |
6 | 4YBS | ic50 = 0.057 uM | 4BK | C24 H29 N5 O5 S | Cc1nc(cn1C.... |
7 | 3O37 | - | ALA ARG THR LYS GLN THR ALA ARG LYS SER | n/a | n/a |
8 | 4YC9 | Kd = 1.3 nM | 4C1 | C32 H42 N4 O8 S | CCCOc1cc(c.... |
9 | 3O35 | - | LYS ALA ALA ARG ALY SER ALA PRO ALA | n/a | n/a |
10 | 4YAT | ic50 = 9.3 uM | 4A8 | C16 H17 N3 O4 S | CN1c2ccc(c.... |
11 | 4YAB | ic50 = 8.5 uM | 4CN | C13 H12 N2 O S | Cc1nc(cs1).... |
12 | 4YBT | ic50 = 0.1 uM | 4BV | C24 H27 N5 O6 S | Cn1cc(nc1).... |
13 | 4YAD | ic50 = 2.5 uM | 4A7 | C18 H20 N2 O5 S | CN1c2ccc(c.... |
14 | 5H1T | Kd = 0.16 mM | 7FF | C11 H14 N2 O2 | COC(=O)N1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 5H1V | Kd = 34 uM | 7FU | C8 H9 N5 O S | c1cc2c(cc1.... |
2 | 5H1U | Kd = 63 uM | 6KT | C8 H7 N3 O S | c1cc2c(cc1.... |
3 | 4YBM | ic50 = 0.14 uM | 4BJ | C30 H29 N3 O7 S | CN1c2cc(c(.... |
4 | 4YAX | ic50 = 1.5 uM | 4AE | C22 H21 N3 O5 S | CN1c2cc(c(.... |
5 | 3O36 | - | GLY ALA ALY ARG HIS ARG | n/a | n/a |
6 | 4YBS | ic50 = 0.057 uM | 4BK | C24 H29 N5 O5 S | Cc1nc(cn1C.... |
7 | 3O37 | - | ALA ARG THR LYS GLN THR ALA ARG LYS SER | n/a | n/a |
8 | 4YC9 | Kd = 1.3 nM | 4C1 | C32 H42 N4 O8 S | CCCOc1cc(c.... |
9 | 3O35 | - | LYS ALA ALA ARG ALY SER ALA PRO ALA | n/a | n/a |
10 | 4YAT | ic50 = 9.3 uM | 4A8 | C16 H17 N3 O4 S | CN1c2ccc(c.... |
11 | 4YAB | ic50 = 8.5 uM | 4CN | C13 H12 N2 O S | Cc1nc(cs1).... |
12 | 4YBT | ic50 = 0.1 uM | 4BV | C24 H27 N5 O6 S | Cn1cc(nc1).... |
13 | 4YAD | ic50 = 2.5 uM | 4A7 | C18 H20 N2 O5 S | CN1c2ccc(c.... |
14 | 5H1T | Kd = 0.16 mM | 7FF | C11 H14 N2 O2 | COC(=O)N1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7FU | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | JA5 | 0.9614 |
2 | AJ1 | 0.9583 |
3 | 4I8 | 0.9568 |
4 | 6KT | 0.9546 |
5 | M78 | 0.9516 |
6 | AJG | 0.9495 |
7 | Y3L | 0.9483 |
8 | 7MW | 0.9445 |
9 | A7H | 0.9437 |
10 | RSV | 0.9400 |
11 | 6SD | 0.9380 |
12 | 1FE | 0.9379 |
13 | HNT | 0.9375 |
14 | PRL | 0.9357 |
15 | NDD | 0.9355 |
16 | A98 | 0.9345 |
17 | P7V | 0.9336 |
18 | 0UL | 0.9332 |
19 | A6W | 0.9326 |
20 | QIV | 0.9318 |
21 | M4N | 0.9313 |
22 | A9B | 0.9311 |
23 | JBZ | 0.9303 |
24 | TCR | 0.9293 |
25 | J1K | 0.9280 |
26 | CX4 | 0.9279 |
27 | YZ9 | 0.9259 |
28 | EZL | 0.9252 |
29 | EUE | 0.9240 |
30 | E3X | 0.9229 |
31 | OQC | 0.9228 |
32 | 1EB | 0.9225 |
33 | 20N | 0.9222 |
34 | 9NB | 0.9218 |
35 | 2PK | 0.9217 |
36 | 5H6 | 0.9215 |
37 | JCZ | 0.9215 |
38 | N4E | 0.9210 |
39 | 9R5 | 0.9203 |
40 | 4UM | 0.9197 |
41 | 4CN | 0.9191 |
42 | 2PV | 0.9191 |
43 | ZSP | 0.9186 |
44 | NPS | 0.9180 |
45 | TID | 0.9177 |
46 | YE6 | 0.9175 |
47 | 3VQ | 0.9174 |
48 | 3W8 | 0.9172 |
49 | 3ZB | 0.9170 |
50 | 3W3 | 0.9165 |
51 | 3W6 | 0.9165 |
52 | AES | 0.9150 |
53 | NY4 | 0.9149 |
54 | 1DR | 0.9147 |
55 | YE7 | 0.9147 |
56 | 8YH | 0.9147 |
57 | VC3 | 0.9145 |
58 | S0E | 0.9143 |
59 | 8CC | 0.9142 |
60 | P9E | 0.9139 |
61 | JMG | 0.9135 |
62 | K7H | 0.9134 |
63 | J38 | 0.9134 |
64 | VFG | 0.9132 |
65 | 5TT | 0.9127 |
66 | 4BL | 0.9125 |
67 | PIQ | 0.9125 |
68 | S0D | 0.9124 |
69 | 6FB | 0.9122 |
70 | 4AU | 0.9122 |
71 | K82 | 0.9119 |
72 | BIO | 0.9119 |
73 | H4B | 0.9117 |
74 | 27K | 0.9114 |
75 | UNJ | 0.9112 |
76 | EAE | 0.9112 |
77 | ZZA | 0.9108 |
78 | GO2 | 0.9104 |
79 | 4FC | 0.9104 |
80 | 6P3 | 0.9104 |
81 | DVK | 0.9102 |
82 | 2FX | 0.9101 |
83 | B1J | 0.9100 |
84 | OLU | 0.9098 |
85 | D25 | 0.9097 |
86 | FZ0 | 0.9097 |
87 | 0DF | 0.9093 |
88 | LO1 | 0.9093 |
89 | 2QC | 0.9090 |
90 | LC1 | 0.9090 |
91 | KLE | 0.9089 |
92 | 3VS | 0.9087 |
93 | II4 | 0.9086 |
94 | 5SJ | 0.9082 |
95 | HRM | 0.9081 |
96 | 657 | 0.9078 |
97 | RYV | 0.9078 |
98 | KLS | 0.9077 |
99 | 4BY | 0.9072 |
100 | C53 | 0.9072 |
101 | 3SU | 0.9069 |
102 | 363 | 0.9067 |
103 | G14 | 0.9063 |
104 | BVS | 0.9061 |
105 | NK5 | 0.9061 |
106 | ODK | 0.9057 |
107 | GB5 | 0.9053 |
108 | IS2 | 0.9052 |
109 | 5VU | 0.9051 |
110 | F02 | 0.9051 |
111 | RCV | 0.9051 |
112 | XCG | 0.9048 |
113 | 397 | 0.9048 |
114 | 4HB | 0.9048 |
115 | 7EH | 0.9047 |
116 | 5LA | 0.9045 |
117 | JAH | 0.9044 |
118 | Q8D | 0.9043 |
119 | IQ5 | 0.9042 |
120 | K3D | 0.9042 |
121 | 2P3 | 0.9042 |
122 | F4K | 0.9039 |
123 | CFA | 0.9038 |
124 | H75 | 0.9034 |
125 | X0U | 0.9031 |
126 | 3R4 | 0.9027 |
127 | L03 | 0.9026 |
128 | L2K | 0.9026 |
129 | LIG | 0.9026 |
130 | TMG | 0.9024 |
131 | 7O4 | 0.9023 |
132 | NIF | 0.9022 |
133 | 0K7 | 0.9022 |
134 | GVY | 0.9021 |
135 | Q8G | 0.9021 |
136 | K4V | 0.9017 |
137 | I3E | 0.9016 |
138 | LR8 | 0.9015 |
139 | 2O8 | 0.9009 |
140 | C82 | 0.9008 |
141 | 833 | 0.9008 |
142 | 5GV | 0.9006 |
143 | NAG | 0.9006 |
144 | 5TY | 0.9001 |
145 | MKN | 0.9000 |
146 | ITE | 0.8999 |
147 | CWJ | 0.8998 |
148 | 2K8 | 0.8997 |
149 | A7N | 0.8994 |
150 | 5OO | 0.8993 |
151 | 5GT | 0.8991 |
152 | 3VX | 0.8991 |
153 | AZM | 0.8989 |
154 | H2B | 0.8985 |
155 | BHS | 0.8984 |
156 | 1V3 | 0.8983 |
157 | D26 | 0.8979 |
158 | 7KE | 0.8977 |
159 | FCW | 0.8974 |
160 | 4MB | 0.8972 |
161 | HC4 | 0.8970 |
162 | SJR | 0.8967 |
163 | HH6 | 0.8964 |
164 | AMR | 0.8962 |
165 | 1V4 | 0.8959 |
166 | 80G | 0.8959 |
167 | 613 | 0.8958 |
168 | 8V8 | 0.8958 |
169 | BGU | 0.8958 |
170 | V1T | 0.8958 |
171 | PUE | 0.8957 |
172 | VFJ | 0.8956 |
173 | HBI | 0.8954 |
174 | 94W | 0.8953 |
175 | 9ZE | 0.8953 |
176 | 7EL | 0.8951 |
177 | HRD | 0.8951 |
178 | 5TZ | 0.8950 |
179 | 2GQ | 0.8949 |
180 | 801 | 0.8948 |
181 | FT6 | 0.8947 |
182 | 4NP | 0.8945 |
183 | NPX | 0.8944 |
184 | S62 | 0.8942 |
185 | S7S | 0.8942 |
186 | 2J1 | 0.8940 |
187 | SWX | 0.8939 |
188 | 6DH | 0.8933 |
189 | TRP | 0.8930 |
190 | BQ2 | 0.8928 |
191 | J6W | 0.8928 |
192 | 1XS | 0.8928 |
193 | 2WU | 0.8927 |
194 | M83 | 0.8926 |
195 | FF2 | 0.8925 |
196 | 2JX | 0.8922 |
197 | FHV | 0.8922 |
198 | 90G | 0.8921 |
199 | S98 | 0.8921 |
200 | 108 | 0.8917 |
201 | EE8 | 0.8914 |
202 | BIH | 0.8913 |
203 | 39Z | 0.8913 |
204 | SLS | 0.8912 |
205 | 4NS | 0.8912 |
206 | DVQ | 0.8911 |
207 | SKF | 0.8909 |
208 | 4AB | 0.8909 |
209 | ZHA | 0.8909 |
210 | A5H | 0.8908 |
211 | 2D2 | 0.8908 |
212 | MD6 | 0.8907 |
213 | RYY | 0.8906 |
214 | CR4 | 0.8905 |
215 | RD4 | 0.8904 |
216 | FMQ | 0.8903 |
217 | VUP | 0.8902 |
218 | 272 | 0.8902 |
219 | N91 | 0.8902 |
220 | ET0 | 0.8901 |
221 | 0JD | 0.8901 |
222 | BIK | 0.8900 |
223 | 8D6 | 0.8899 |
224 | 6MW | 0.8899 |
225 | 1OT | 0.8899 |
226 | CUE | 0.8899 |
227 | RF2 | 0.8895 |
228 | LZ5 | 0.8895 |
229 | DRG | 0.8895 |
230 | HHS | 0.8889 |
231 | EV2 | 0.8888 |
232 | PNP | 0.8888 |
233 | ZTW | 0.8886 |
234 | GJP | 0.8883 |
235 | 4JE | 0.8882 |
236 | DX2 | 0.8881 |
237 | P81 | 0.8880 |
238 | 5E5 | 0.8879 |
239 | EES | 0.8879 |
240 | 121 | 0.8879 |
241 | WV7 | 0.8878 |
242 | 5V7 | 0.8876 |
243 | M28 | 0.8875 |
244 | S60 | 0.8875 |
245 | CKA | 0.8875 |
246 | A8D | 0.8874 |
247 | 3QV | 0.8874 |
248 | VM1 | 0.8872 |
249 | ERZ | 0.8870 |
250 | VFM | 0.8869 |
251 | 15N | 0.8869 |
252 | 1HP | 0.8866 |
253 | KP2 | 0.8866 |
254 | 6FG | 0.8865 |
255 | E1T | 0.8865 |
256 | JMM | 0.8865 |
257 | BMZ | 0.8865 |
258 | 0F3 | 0.8863 |
259 | VGS | 0.8860 |
260 | A5Q | 0.8860 |
261 | 52F | 0.8859 |
262 | 0NJ | 0.8856 |
263 | PQM | 0.8856 |
264 | 1F1 | 0.8855 |
265 | AD6 | 0.8852 |
266 | D9Z | 0.8847 |
267 | EST | 0.8842 |
268 | 122 | 0.8842 |
269 | AP6 | 0.8841 |
270 | 8NB | 0.8841 |
271 | EQW | 0.8840 |
272 | FCD | 0.8840 |
273 | RNO | 0.8838 |
274 | 0NX | 0.8838 |
275 | 6C8 | 0.8837 |
276 | GOE | 0.8836 |
277 | 78Y | 0.8835 |
278 | Z21 | 0.8834 |
279 | XI7 | 0.8833 |
280 | 6H2 | 0.8832 |
281 | FZM | 0.8832 |
282 | 120 | 0.8830 |
283 | CX6 | 0.8829 |
284 | KMY | 0.8829 |
285 | EUH | 0.8826 |
286 | 1AJ | 0.8825 |
287 | SNO | 0.8825 |
288 | 5S9 | 0.8824 |
289 | 27B | 0.8824 |
290 | Q0K | 0.8823 |
291 | 68B | 0.8822 |
292 | 795 | 0.8820 |
293 | 60L | 0.8819 |
294 | WA1 | 0.8818 |
295 | 124 | 0.8818 |
296 | N0Z | 0.8811 |
297 | 4FE | 0.8808 |
298 | 9BF | 0.8806 |
299 | 68A | 0.8806 |
300 | EZ1 | 0.8805 |
301 | 5OR | 0.8804 |
302 | E1K | 0.8804 |
303 | F40 | 0.8802 |
304 | AH6 | 0.8801 |
305 | 7AP | 0.8801 |
306 | CT0 | 0.8800 |
307 | ZEC | 0.8798 |
308 | 8XL | 0.8796 |
309 | PLP | 0.8796 |
310 | KU1 | 0.8795 |
311 | CPZ | 0.8792 |
312 | IOP | 0.8792 |
313 | A05 | 0.8790 |
314 | CXH | 0.8789 |
315 | P4L | 0.8789 |
316 | NEU | 0.8788 |
317 | GB4 | 0.8788 |
318 | RKV | 0.8787 |
319 | L1T | 0.8787 |
320 | 28A | 0.8785 |
321 | 5B2 | 0.8784 |
322 | 0FK | 0.8781 |
323 | 9FG | 0.8781 |
324 | THA | 0.8780 |
325 | 47V | 0.8777 |
326 | TYR | 0.8774 |
327 | AO | 0.8773 |
328 | RA7 | 0.8773 |
329 | 49P | 0.8773 |
330 | 5O6 | 0.8773 |
331 | I2E | 0.8771 |
332 | P4T | 0.8770 |
333 | 4AF | 0.8769 |
334 | BZJ | 0.8769 |
335 | C4E | 0.8766 |
336 | OJM | 0.8766 |
337 | 0FR | 0.8765 |
338 | 20D | 0.8762 |
339 | CHQ | 0.8760 |
340 | A7Q | 0.8759 |
341 | QBP | 0.8758 |
342 | 6DQ | 0.8757 |
343 | JB8 | 0.8756 |
344 | 4TU | 0.8756 |
345 | NRA | 0.8754 |
346 | D8Q | 0.8754 |
347 | 7N8 | 0.8753 |
348 | LUM | 0.8752 |
349 | 6NT | 0.8752 |
350 | 4ZF | 0.8750 |
351 | BA5 | 0.8749 |
352 | 9JT | 0.8748 |
353 | KYA | 0.8747 |
354 | 7G2 | 0.8746 |
355 | PH3 | 0.8746 |
356 | JAW | 0.8744 |
357 | DX7 | 0.8743 |
358 | 4FF | 0.8741 |
359 | A73 | 0.8740 |
360 | 9KZ | 0.8739 |
361 | 92G | 0.8739 |
362 | QME | 0.8738 |
363 | 1V1 | 0.8737 |
364 | EQU | 0.8735 |
365 | HA5 | 0.8735 |
366 | DFL | 0.8733 |
367 | PH2 | 0.8732 |
368 | SU9 | 0.8731 |
369 | 549 | 0.8731 |
370 | MAJ | 0.8731 |
371 | 1Q1 | 0.8728 |
372 | LI7 | 0.8728 |
373 | X2M | 0.8726 |
374 | 6NI | 0.8726 |
375 | 72D | 0.8724 |
376 | S0A | 0.8722 |
377 | NFZ | 0.8721 |
378 | 8ZE | 0.8720 |
379 | PQS | 0.8718 |
380 | 4CF | 0.8717 |
381 | EWG | 0.8716 |
382 | G2V | 0.8714 |
383 | TEF | 0.8714 |
384 | J3Z | 0.8713 |
385 | N2I | 0.8713 |
386 | LEL | 0.8711 |
387 | 5TO | 0.8709 |
388 | BSU | 0.8708 |
389 | 9FH | 0.8707 |
390 | A5E | 0.8707 |
391 | EV3 | 0.8707 |
392 | 4RU | 0.8707 |
393 | STX | 0.8707 |
394 | BP7 | 0.8706 |
395 | L1O | 0.8703 |
396 | 0HN | 0.8700 |
397 | NEO | 0.8699 |
398 | PPY | 0.8698 |
399 | 1HN | 0.8698 |
400 | 0SY | 0.8697 |
401 | 62D | 0.8695 |
402 | 3XR | 0.8693 |
403 | JDN | 0.8692 |
404 | ZRK | 0.8692 |
405 | GDL | 0.8691 |
406 | X48 | 0.8690 |
407 | CSN | 0.8689 |
408 | 15E | 0.8689 |
409 | 245 | 0.8687 |
410 | W81 | 0.8685 |
411 | 0LO | 0.8685 |
412 | ZYQ | 0.8684 |
413 | 3A9 | 0.8684 |
414 | 0HO | 0.8684 |
415 | U55 | 0.8682 |
416 | 0MB | 0.8682 |
417 | JP2 | 0.8681 |
418 | WLH | 0.8679 |
419 | 5F8 | 0.8679 |
420 | HBO | 0.8677 |
421 | U7E | 0.8677 |
422 | ANF | 0.8676 |
423 | SOJ | 0.8676 |
424 | IDZ | 0.8673 |
425 | 5F5 | 0.8671 |
426 | 789 | 0.8671 |
427 | 5NI | 0.8670 |
428 | 25F | 0.8668 |
429 | DBE | 0.8668 |
430 | PTB | 0.8668 |
431 | KWV | 0.8667 |
432 | IPO | 0.8666 |
433 | ANN | 0.8665 |
434 | L15 | 0.8664 |
435 | 9FE | 0.8663 |
436 | H5B | 0.8663 |
437 | ESX | 0.8663 |
438 | 109 | 0.8661 |
439 | KDV | 0.8660 |
440 | OW7 | 0.8660 |
441 | 5ER | 0.8660 |
442 | EP1 | 0.8659 |
443 | 6ZE | 0.8652 |
444 | 3NY | 0.8651 |
445 | 3F4 | 0.8651 |
446 | S0W | 0.8651 |
447 | 23M | 0.8647 |
448 | HPP | 0.8647 |
449 | FQX | 0.8646 |
450 | 6VW | 0.8645 |
451 | 6ZW | 0.8644 |
452 | 5SP | 0.8643 |
453 | AN3 | 0.8643 |
454 | TJM | 0.8640 |
455 | SZ5 | 0.8640 |
456 | 2ZM | 0.8639 |
457 | 40N | 0.8637 |
458 | 5WT | 0.8632 |
459 | RGK | 0.8629 |
460 | KLV | 0.8626 |
461 | B56 | 0.8624 |
462 | MMJ | 0.8623 |
463 | ABI | 0.8623 |
464 | AA | 0.8622 |
465 | 8HC | 0.8621 |
466 | 4NR | 0.8620 |
467 | K48 | 0.8619 |
468 | 7G0 | 0.8618 |
469 | 8NX | 0.8615 |
470 | M4E | 0.8615 |
471 | GEN | 0.8614 |
472 | 4Z1 | 0.8612 |
473 | 1R5 | 0.8611 |
474 | TYL | 0.8609 |
475 | 9CE | 0.8606 |
476 | 51Y | 0.8604 |
477 | 88L | 0.8604 |
478 | 1ZC | 0.8604 |
479 | ESP | 0.8600 |
480 | 1Q2 | 0.8599 |
481 | MBT | 0.8597 |
482 | 0XR | 0.8593 |
483 | LZ4 | 0.8590 |
484 | N2M | 0.8590 |
485 | 9UL | 0.8587 |
486 | 92P | 0.8583 |
487 | KW7 | 0.8581 |
488 | 4NB | 0.8581 |
489 | PNZ | 0.8579 |
490 | AVX | 0.8578 |
491 | OHJ | 0.8576 |
492 | 6C5 | 0.8575 |
493 | 3GX | 0.8575 |
494 | JF8 | 0.8574 |
495 | 90M | 0.8570 |
496 | 5FL | 0.8568 |
497 | DNA | 0.8567 |
498 | F18 | 0.8565 |
499 | L22 | 0.8558 |
500 | MR5 | 0.8558 |
501 | GO8 | 0.8557 |
502 | FMH | 0.8557 |
503 | 3TC | 0.8553 |
504 | 1CE | 0.8551 |
505 | BX4 | 0.8549 |
506 | 6QT | 0.8539 |
507 | K25 | 0.8534 |
508 | A2G | 0.8529 |
509 | 5TU | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 4yc9.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5I8G | 69E | 25.5435 |
2 | 6GYT | GLY LEU GLY ALY GLY GLY ALA ALY ALA | 29.1925 |
3 | 6J3O | B4L | 34.2857 |
4 | 5XXH | E0D | 35.3383 |
5 | 4UYE | 9F9 | 35.5932 |
6 | 4BJX | 73B | 36.6013 |
7 | 6J3P | B8O | 38.5185 |
8 | 5N18 | 8HZ | 44.0367 |
9 | 4XUB | 43D | 44.4444 |