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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 10 families. | |||||
1 | 2CYB | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
2 | 4NX2 | - | 2LT | C9 H9 Cl2 N O3 | c1c(cc(c(c.... |
3 | 3QE4 | - | 4CF | C10 H10 N2 O2 | c1cc(ccc1C.... |
4 | 4NDA | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
5 | 3D6V | - | TFQ | C11 H12 F3 N O2 | c1cc(ccc1C.... |
6 | 2AG6 | - | 4BF | C9 H10 Br N O2 | c1cc(ccc1C.... |
7 | 3D6U | - | T11 | C11 H12 F3 N3 O2 | c1cc(ccc1C.... |
8 | 4PBT | - | 2LQ | C18 H24 N2 O3 | c1cc(ccc1C.... |
9 | 5N5U | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
10 | 2HGZ | - | PBF | C16 H15 N O3 | c1ccc(cc1).... |
11 | 4PBR | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
12 | 5L7P | - | BUU | C16 H16 N2 O6 | c1ccc(c(c1.... |
13 | 2PXH | - | BP5 | C13 H13 N3 O2 | c1ccnc(c1).... |
14 | 5NSF | - | 96Z | C13 H15 N O2 | C1C=CC2=CC.... |
15 | 3N2Y | - | TEF | C10 H11 N5 O2 | c1cc(ccc1C.... |
16 | 6WRN | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
17 | 1ZH6 | - | 4AF | C11 H13 N O3 | CC(=O)c1cc.... |
18 | 4PBS | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
19 | 6WRK | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
20 | 1ZH0 | - | NAL | C13 H13 N O2 | c1ccc2cc(c.... |
21 | 6WRQ | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
22 | 6WRT | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2CYB | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
2 | 4NX2 | - | 2LT | C9 H9 Cl2 N O3 | c1c(cc(c(c.... |
3 | 3QE4 | - | 4CF | C10 H10 N2 O2 | c1cc(ccc1C.... |
4 | 4NDA | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
5 | 3D6V | - | TFQ | C11 H12 F3 N O2 | c1cc(ccc1C.... |
6 | 2AG6 | - | 4BF | C9 H10 Br N O2 | c1cc(ccc1C.... |
7 | 3D6U | - | T11 | C11 H12 F3 N3 O2 | c1cc(ccc1C.... |
8 | 4PBT | - | 2LQ | C18 H24 N2 O3 | c1cc(ccc1C.... |
9 | 5N5U | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
10 | 2HGZ | - | PBF | C16 H15 N O3 | c1ccc(cc1).... |
11 | 4PBR | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
12 | 5L7P | - | BUU | C16 H16 N2 O6 | c1ccc(c(c1.... |
13 | 2PXH | - | BP5 | C13 H13 N3 O2 | c1ccnc(c1).... |
14 | 5NSF | - | 96Z | C13 H15 N O2 | C1C=CC2=CC.... |
15 | 3N2Y | - | TEF | C10 H11 N5 O2 | c1cc(ccc1C.... |
16 | 6WRN | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
17 | 1ZH6 | - | 4AF | C11 H13 N O3 | CC(=O)c1cc.... |
18 | 4PBS | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
19 | 6WRK | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
20 | 1ZH0 | - | NAL | C13 H13 N O2 | c1ccc2cc(c.... |
21 | 6WRQ | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
22 | 6WRT | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
23 | 2CYC | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
24 | 1Q11 | - | TYE | C9 H13 N O2 | c1cc(ccc1C.... |
25 | 5THH | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
26 | 3VGJ | - | TYR AMP | n/a | n/a |
27 | 2J5B | - | TYE | C9 H13 N O2 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4AF | 1 | 1 |
2 | 0A1 | 0.619048 | 0.806452 |
3 | TYR | 0.585366 | 0.827586 |
4 | DTY | 0.585366 | 0.827586 |
5 | 4BF | 0.571429 | 0.709677 |
6 | PFF | 0.571429 | 0.709677 |
7 | PHI | 0.571429 | 0.709677 |
8 | PBF | 0.5625 | 0.892857 |
9 | 7N8 | 0.545455 | 0.638889 |
10 | 4CF | 0.533333 | 0.758621 |
11 | PHE | 0.52381 | 0.846154 |
12 | DPN | 0.52381 | 0.846154 |
13 | TFQ | 0.521739 | 0.6875 |
14 | PTR | 0.520833 | 0.609756 |
15 | 2L7 | 0.480769 | 0.609756 |
16 | YOF | 0.44 | 0.685714 |
17 | DAH | 0.4375 | 0.705882 |
18 | IYR | 0.411765 | 0.685714 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RPN | 0.9568 |
2 | PPN | 0.9542 |
3 | NAL | 0.9443 |
4 | R7T | 0.9441 |
5 | M28 | 0.9353 |
6 | 4FC | 0.9321 |
7 | TEF | 0.9321 |
8 | 6P3 | 0.9319 |
9 | ISA | 0.9286 |
10 | 1EB | 0.9284 |
11 | 14N | 0.9283 |
12 | ENO | 0.9278 |
13 | B41 | 0.9274 |
14 | EYJ | 0.9271 |
15 | 4NP | 0.9264 |
16 | PQS | 0.9246 |
17 | J1K | 0.9234 |
18 | NK5 | 0.9233 |
19 | GJG | 0.9228 |
20 | LR8 | 0.9217 |
21 | 1A5 | 0.9213 |
22 | 2O8 | 0.9196 |
23 | SOJ | 0.9193 |
24 | EQW | 0.9189 |
25 | 4BX | 0.9183 |
26 | 1Q1 | 0.9178 |
27 | 4MP | 0.9166 |
28 | G8V | 0.9163 |
29 | G14 | 0.9145 |
30 | R9J | 0.9139 |
31 | 2P3 | 0.9132 |
32 | 8EU | 0.9131 |
33 | 4NS | 0.9120 |
34 | RQD | 0.9117 |
35 | 4MB | 0.9114 |
36 | QME | 0.9114 |
37 | 5O6 | 0.9107 |
38 | I2E | 0.9107 |
39 | PNP | 0.9103 |
40 | FCW | 0.9101 |
41 | 9VQ | 0.9096 |
42 | P4T | 0.9087 |
43 | OLU | 0.9087 |
44 | 5TT | 0.9084 |
45 | B15 | 0.9083 |
46 | EN1 | 0.9083 |
47 | TMG | 0.9080 |
48 | KPV | 0.9075 |
49 | ODK | 0.9074 |
50 | 72D | 0.9070 |
51 | TYC | 0.9070 |
52 | EYY | 0.9070 |
53 | AHC | 0.9069 |
54 | 1OS | 0.9065 |
55 | 6SD | 0.9063 |
56 | J4K | 0.9061 |
57 | QTD | 0.9060 |
58 | 7EH | 0.9058 |
59 | TYE | 0.9054 |
60 | AWE | 0.9053 |
61 | 7G0 | 0.9052 |
62 | AD6 | 0.9047 |
63 | 2QC | 0.9044 |
64 | HWD | 0.9041 |
65 | CTE | 0.9037 |
66 | HC4 | 0.9036 |
67 | JAH | 0.9033 |
68 | YI6 | 0.9033 |
69 | 80G | 0.9032 |
70 | 72E | 0.9032 |
71 | 0OK | 0.9031 |
72 | 8V8 | 0.9031 |
73 | 4Z9 | 0.9028 |
74 | 657 | 0.9021 |
75 | A4N | 0.9011 |
76 | MMS | 0.9007 |
77 | HXY | 0.9005 |
78 | 613 | 0.9003 |
79 | 1AJ | 0.9000 |
80 | 3IP | 0.9000 |
81 | NY4 | 0.8998 |
82 | 109 | 0.8997 |
83 | E9P | 0.8995 |
84 | FTV | 0.8995 |
85 | 4CN | 0.8993 |
86 | E0O | 0.8990 |
87 | B5A | 0.8988 |
88 | VC3 | 0.8988 |
89 | C82 | 0.8988 |
90 | M25 | 0.8984 |
91 | F4K | 0.8981 |
92 | S0D | 0.8978 |
93 | 5TO | 0.8977 |
94 | 6WR | 0.8976 |
95 | YIH | 0.8975 |
96 | 3W3 | 0.8975 |
97 | RVE | 0.8975 |
98 | 5O5 | 0.8974 |
99 | ESE | 0.8973 |
100 | 3W6 | 0.8973 |
101 | UA5 | 0.8972 |
102 | 397 | 0.8967 |
103 | 9NB | 0.8965 |
104 | 0F3 | 0.8964 |
105 | 9JH | 0.8963 |
106 | TRP | 0.8960 |
107 | LVP | 0.8960 |
108 | 8D6 | 0.8959 |
109 | F90 | 0.8957 |
110 | 1BW | 0.8957 |
111 | Y4L | 0.8951 |
112 | TID | 0.8950 |
113 | 2UB | 0.8949 |
114 | 9B3 | 0.8949 |
115 | ERZ | 0.8948 |
116 | 6DQ | 0.8946 |
117 | D25 | 0.8946 |
118 | SNV | 0.8943 |
119 | S0W | 0.8942 |
120 | 90M | 0.8938 |
121 | 6C5 | 0.8938 |
122 | WCU | 0.8936 |
123 | 4FE | 0.8933 |
124 | KLE | 0.8932 |
125 | 9FH | 0.8932 |
126 | 3VR | 0.8931 |
127 | A5Q | 0.8931 |
128 | A9K | 0.8927 |
129 | G2V | 0.8922 |
130 | 7ZO | 0.8921 |
131 | 54E | 0.8921 |
132 | CBE | 0.8921 |
133 | PV4 | 0.8919 |
134 | FMQ | 0.8918 |
135 | RKN | 0.8912 |
136 | 0UL | 0.8909 |
137 | CH8 | 0.8907 |
138 | K4V | 0.8905 |
139 | ZTW | 0.8896 |
140 | P81 | 0.8895 |
141 | MJ5 | 0.8893 |
142 | N2Y | 0.8892 |
143 | HLP | 0.8891 |
144 | 16Z | 0.8891 |
145 | QH3 | 0.8889 |
146 | FY8 | 0.8887 |
147 | FT6 | 0.8884 |
148 | 6C4 | 0.8883 |
149 | CT0 | 0.8883 |
150 | RA7 | 0.8882 |
151 | EYV | 0.8882 |
152 | REG | 0.8881 |
153 | 848 | 0.8881 |
154 | 0ON | 0.8881 |
155 | EZL | 0.8879 |
156 | FER | 0.8879 |
157 | 2L1 | 0.8878 |
158 | Y3L | 0.8878 |
159 | SWX | 0.8877 |
160 | RNK | 0.8877 |
161 | HPP | 0.8875 |
162 | 11X | 0.8875 |
163 | BFL | 0.8875 |
164 | AAN | 0.8875 |
165 | 26C | 0.8874 |
166 | A7Q | 0.8872 |
167 | PH3 | 0.8869 |
168 | JCZ | 0.8865 |
169 | MKN | 0.8863 |
170 | AES | 0.8859 |
171 | NIY | 0.8858 |
172 | TFM | 0.8856 |
173 | L15 | 0.8854 |
174 | 68B | 0.8853 |
175 | N4E | 0.8853 |
176 | DTE | 0.8852 |
177 | ZZA | 0.8851 |
178 | 4AU | 0.8851 |
179 | KLS | 0.8851 |
180 | DHC | 0.8850 |
181 | L1T | 0.8850 |
182 | H75 | 0.8849 |
183 | 6EL | 0.8848 |
184 | A6Z | 0.8848 |
185 | 8CC | 0.8846 |
186 | 833 | 0.8845 |
187 | G1L | 0.8845 |
188 | A18 | 0.8844 |
189 | FWD | 0.8844 |
190 | BWD | 0.8841 |
191 | PPT | 0.8840 |
192 | 3G3 | 0.8839 |
193 | A4T | 0.8838 |
194 | EUH | 0.8838 |
195 | BQ2 | 0.8838 |
196 | 5S9 | 0.8837 |
197 | M29 | 0.8837 |
198 | VD9 | 0.8837 |
199 | EF2 | 0.8836 |
200 | SYE | 0.8835 |
201 | NPX | 0.8834 |
202 | 2JX | 0.8834 |
203 | S7D | 0.8833 |
204 | J27 | 0.8832 |
205 | GHQ | 0.8831 |
206 | U55 | 0.8828 |
207 | EPE | 0.8828 |
208 | 3VS | 0.8828 |
209 | 2LT | 0.8825 |
210 | NPS | 0.8825 |
211 | 88L | 0.8823 |
212 | ITW | 0.8820 |
213 | 5M2 | 0.8820 |
214 | IWD | 0.8820 |
215 | BVS | 0.8820 |
216 | 5RP | 0.8819 |
217 | FPL | 0.8818 |
218 | 363 | 0.8818 |
219 | L1O | 0.8816 |
220 | FZM | 0.8815 |
221 | P2L | 0.8815 |
222 | 1KN | 0.8815 |
223 | TBJ | 0.8814 |
224 | D26 | 0.8813 |
225 | OQC | 0.8812 |
226 | IC9 | 0.8812 |
227 | CFA | 0.8812 |
228 | F02 | 0.8810 |
229 | S7V | 0.8810 |
230 | TG6 | 0.8810 |
231 | PTB | 0.8809 |
232 | 52F | 0.8806 |
233 | YF3 | 0.8806 |
234 | 6ZX | 0.8806 |
235 | 3VX | 0.8806 |
236 | 6N4 | 0.8805 |
237 | RYV | 0.8804 |
238 | 531 | 0.8803 |
239 | 121 | 0.8803 |
240 | SJR | 0.8801 |
241 | RGP | 0.8800 |
242 | KW7 | 0.8800 |
243 | L4K | 0.8798 |
244 | L2K | 0.8798 |
245 | 4FP | 0.8797 |
246 | N9M | 0.8796 |
247 | XCG | 0.8795 |
248 | 0OO | 0.8792 |
249 | VJJ | 0.8791 |
250 | 1Q2 | 0.8791 |
251 | GB4 | 0.8788 |
252 | DVK | 0.8787 |
253 | Z13 | 0.8784 |
254 | S8G | 0.8783 |
255 | 6H2 | 0.8783 |
256 | E3X | 0.8783 |
257 | W1G | 0.8781 |
258 | D1G | 0.8780 |
259 | 3CX | 0.8780 |
260 | S8P | 0.8780 |
261 | OSP | 0.8780 |
262 | 536 | 0.8780 |
263 | A7K | 0.8778 |
264 | AU8 | 0.8774 |
265 | 2B4 | 0.8774 |
266 | GB5 | 0.8773 |
267 | 9JT | 0.8771 |
268 | 50C | 0.8770 |
269 | 7FU | 0.8769 |
270 | CC5 | 0.8768 |
271 | NDD | 0.8768 |
272 | CWD | 0.8767 |
273 | OHJ | 0.8762 |
274 | GGG | 0.8759 |
275 | GJB | 0.8759 |
276 | IBP | 0.8758 |
277 | 3W1 | 0.8757 |
278 | HX8 | 0.8757 |
279 | T1N | 0.8757 |
280 | BMZ | 0.8756 |
281 | PF1 | 0.8755 |
282 | YIE | 0.8755 |
283 | H4B | 0.8755 |
284 | NAG | 0.8749 |
285 | 51Y | 0.8748 |
286 | 92O | 0.8748 |
287 | C53 | 0.8745 |
288 | 27K | 0.8745 |
289 | 3VQ | 0.8745 |
290 | MP5 | 0.8744 |
291 | 5AD | 0.8743 |
292 | 5C1 | 0.8741 |
293 | 4JE | 0.8741 |
294 | BL0 | 0.8740 |
295 | IS2 | 0.8740 |
296 | 5OO | 0.8737 |
297 | 5SP | 0.8737 |
298 | OJD | 0.8736 |
299 | JA5 | 0.8732 |
300 | A6W | 0.8732 |
301 | RYY | 0.8730 |
302 | LR2 | 0.8729 |
303 | LZ5 | 0.8729 |
304 | HNT | 0.8728 |
305 | YE6 | 0.8728 |
306 | RES | 0.8724 |
307 | 3UF | 0.8724 |
308 | BSU | 0.8724 |
309 | 0SY | 0.8723 |
310 | 0QA | 0.8722 |
311 | EAT | 0.8722 |
312 | 96Z | 0.8720 |
313 | M4N | 0.8718 |
314 | C4E | 0.8716 |
315 | EV2 | 0.8716 |
316 | 5H6 | 0.8713 |
317 | JA3 | 0.8713 |
318 | 2D2 | 0.8712 |
319 | 7PJ | 0.8711 |
320 | GLY GLY GLY | 0.8711 |
321 | ADN | 0.8711 |
322 | 36M | 0.8708 |
323 | BSA | 0.8707 |
324 | DTR | 0.8706 |
325 | GT4 | 0.8703 |
326 | JPQ | 0.8703 |
327 | F52 | 0.8702 |
328 | 6C9 | 0.8701 |
329 | ENG | 0.8700 |
330 | ZYX | 0.8699 |
331 | 0NX | 0.8695 |
332 | 6MW | 0.8695 |
333 | BX4 | 0.8694 |
334 | 4EU | 0.8692 |
335 | 3D3 | 0.8691 |
336 | FHV | 0.8691 |
337 | 4UM | 0.8690 |
338 | K82 | 0.8689 |
339 | KHP | 0.8684 |
340 | A7N | 0.8683 |
341 | MGB | 0.8683 |
342 | X6W | 0.8682 |
343 | KF5 | 0.8681 |
344 | STZ | 0.8681 |
345 | YX1 | 0.8681 |
346 | JF5 | 0.8680 |
347 | AMR | 0.8678 |
348 | S0F | 0.8677 |
349 | 250 | 0.8676 |
350 | AOY | 0.8674 |
351 | CPZ | 0.8672 |
352 | BC5 | 0.8666 |
353 | EQA | 0.8663 |
354 | AVX | 0.8660 |
355 | OJM | 0.8657 |
356 | ESJ | 0.8655 |
357 | E9S | 0.8651 |
358 | VFJ | 0.8650 |
359 | YPN | 0.8649 |
360 | LWA | 0.8649 |
361 | PLP | 0.8648 |
362 | NFM | 0.8646 |
363 | 1OT | 0.8645 |
364 | F6R | 0.8640 |
365 | XYP XYS | 0.8635 |
366 | CS2 | 0.8633 |
367 | 8YH | 0.8631 |
368 | 22T | 0.8630 |
369 | BRH | 0.8630 |
370 | Y0V | 0.8629 |
371 | LOT | 0.8628 |
372 | 3XR | 0.8622 |
373 | 88R | 0.8622 |
374 | 22M | 0.8620 |
375 | FT2 | 0.8618 |
376 | 0OY | 0.8617 |
377 | 5WN | 0.8615 |
378 | EEK | 0.8613 |
379 | DVQ | 0.8610 |
380 | DG6 | 0.8608 |
381 | ZRK | 0.8607 |
382 | 3W8 | 0.8605 |
383 | X48 | 0.8604 |
384 | HFA | 0.8604 |
385 | FT3 | 0.8603 |
386 | D2G | 0.8599 |
387 | 20N | 0.8592 |
388 | FLP | 0.8591 |
389 | R5P | 0.8584 |
390 | S0A | 0.8582 |
391 | A4Q | 0.8571 |
392 | 1Z6 | 0.8570 |
393 | 1FE | 0.8570 |
394 | TJM | 0.8570 |
395 | SJK | 0.8568 |
396 | 5F1 | 0.8567 |
397 | LEG | 0.8565 |
398 | U13 | 0.8562 |
399 | 3N1 | 0.8548 |
400 | BBY | 0.8539 |
401 | OA1 | 0.8538 |
402 | M2E | 0.8533 |
403 | 36Y | 0.8524 |
404 | FUD | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 5n5u.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5n5u.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5n5u.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5n5u.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |