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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 17 families. | |||||
1 | 1FH7 | Ki = 5.8 uM | XYP XDN | n/a | n/a |
2 | 1FHD | Ki = 0.15 uM | XYP XIM | n/a | n/a |
3 | 1FH8 | Ki = 0.13 uM | XYP XIF | n/a | n/a |
4 | 1J01 | Ki = 0.34 uM | XIL | C10 H17 N O7 | C1CNC(=O)[.... |
5 | 1FH9 | Ki = 0.37 uM | LOX XYP | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 19 families. | |||||
1 | 1V0M | - | XDN XYP | n/a | n/a |
2 | 1V0N | - | XIF XYP | n/a | n/a |
3 | 1V0K | Ki = 40 uM | XYP XDN | n/a | n/a |
4 | 1V0L | Ki = 480 nM | XIF XYP | n/a | n/a |
5 | 1OD8 | - | XDL XYP | n/a | n/a |
6 | 3W25 | - | XYP XYP | n/a | n/a |
7 | 3W27 | - | XYS XYP | n/a | n/a |
8 | 3W26 | - | XYP XYP XYP | n/a | n/a |
9 | 3W29 | - | XYS XYP XYP XYP | n/a | n/a |
10 | 3W28 | - | XYS XYP XYP | n/a | n/a |
11 | 1B30 | - | XYP XYP XYP | n/a | n/a |
12 | 1B3V | - | XYS | C5 H10 O5 | C1[C@H]([C.... |
13 | 1B3Y | - | XYS | C5 H10 O5 | C1[C@H]([C.... |
14 | 1B3X | - | XYP XYP XYP | n/a | n/a |
15 | 1B3Z | - | XYP XYP XYP | n/a | n/a |
16 | 1ISY | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
17 | 1V6W | - | XYP XYP | n/a | n/a |
18 | 1ISX | - | XYP XYP | n/a | n/a |
19 | 1ISZ | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
20 | 1V6U | - | XYP XYP | n/a | n/a |
21 | 1V6X | - | XYP XYP | n/a | n/a |
22 | 1V6V | - | XYP XYP | n/a | n/a |
23 | 2D24 | - | XYS XYS | n/a | n/a |
24 | 2D23 | - | XYS AZI XYS | n/a | n/a |
25 | 1IT0 | - | BGC GAL | n/a | n/a |
26 | 1ISW | - | XYP XYP | n/a | n/a |
27 | 2D20 | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
28 | 1ISV | - | XYP | C5 H10 O5 | C1[C@H]([C.... |
29 | 3EMZ | - | HXH | C19 H21 N O4 | c1ccc(cc1).... |
30 | 3WUE | - | XYP | C5 H10 O5 | C1[C@H]([C.... |
31 | 3WUG | - | XYP | C5 H10 O5 | C1[C@H]([C.... |
32 | 1FH7 | Ki = 5.8 uM | XYP XDN | n/a | n/a |
33 | 1FHD | Ki = 0.15 uM | XYP XIM | n/a | n/a |
34 | 1FH8 | Ki = 0.13 uM | XYP XIF | n/a | n/a |
35 | 1J01 | Ki = 0.34 uM | XIL | C10 H17 N O7 | C1CNC(=O)[.... |
36 | 1FH9 | Ki = 0.37 uM | LOX XYP | n/a | n/a |
37 | 5D4Y | - | XYP XYP | n/a | n/a |
38 | 2FGL | - | XYS XYS | n/a | n/a |
39 | 3NJ3 | - | XYP XYP | n/a | n/a |
40 | 1VBR | - | XYP XYS | n/a | n/a |
41 | 2BNJ | - | XYP XYP AHR FER | n/a | n/a |
42 | 7K4X | Kd = 13.04 uM | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
43 | 5RGA | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
44 | 7K4Z | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
45 | 1GOR | - | XYS XYP | n/a | n/a |
46 | 7K4Q | Kd = 372.5 uM | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
47 | 5RGD | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
48 | 7K4U | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
49 | 5RGC | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
50 | 4BS0 | Ki = 2 uM | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
51 | 3NYD | - | 3NY | C6 H4 N4 O2 | c1cc2c(cc1.... |
52 | 5RGB | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
53 | 5RGE | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
54 | 1GOQ | - | XYP XYP | n/a | n/a |
55 | 5RGF | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
56 | 1UQY | - | XYP XYP XYP XYP | n/a | n/a |
57 | 1UR1 | - | XYS XYP AHR | n/a | n/a |
58 | 1UQZ | - | XYP XYP XYP GCV | n/a | n/a |
59 | 3RDK | - | XYS XYP XYP GCV | n/a | n/a |
60 | 5OFK | - | XYP XYP XYP XYP XYP XYP XYP | n/a | n/a |
61 | 5OFL | Ka = 17500 M^-1 | BGC BGC BGC BGC BGC BGC | n/a | n/a |
62 | 1R87 | - | XYP XYP | n/a | n/a |
63 | 1HIZ | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | QUE | 1.0000 |
2 | XDN XYP | 0.9897 |
3 | XYS XYP | 0.9720 |
4 | XIF XYP | 0.9715 |
5 | XYS AZI XYS | 0.9651 |
6 | XYS XYS | 0.9611 |
7 | P2L | 0.9437 |
8 | ADN | 0.9338 |
9 | 5AD | 0.9306 |
10 | ZRK | 0.9298 |
11 | AFX | 0.9296 |
12 | WCU | 0.9276 |
13 | 6WR | 0.9237 |
14 | NOC | 0.9228 |
15 | CC5 | 0.9222 |
16 | 0SY | 0.9217 |
17 | XYP XYS | 0.9214 |
18 | ISX | 0.9214 |
19 | 833 | 0.9201 |
20 | 5FD | 0.9199 |
21 | 38E | 0.9192 |
22 | ARJ | 0.9179 |
23 | 4GU | 0.9177 |
24 | TCC | 0.9166 |
25 | 27M | 0.9163 |
26 | C4E | 0.9156 |
27 | 9JT | 0.9143 |
28 | 6BK | 0.9142 |
29 | 5F1 | 0.9142 |
30 | 7EH | 0.9122 |
31 | 15Q | 0.9120 |
32 | TCL | 0.9117 |
33 | Y3J | 0.9112 |
34 | CBE | 0.9109 |
35 | 4CN | 0.9107 |
36 | 0OK | 0.9103 |
37 | 3L1 | 0.9102 |
38 | 6H2 | 0.9098 |
39 | U13 | 0.9097 |
40 | AVX | 0.9097 |
41 | AJ4 | 0.9093 |
42 | AOY | 0.9089 |
43 | 5CK | 0.9088 |
44 | 1FL | 0.9087 |
45 | 3IP | 0.9083 |
46 | AD3 | 0.9080 |
47 | QME | 0.9079 |
48 | MMA XYP | 0.9070 |
49 | 3D8 | 0.9070 |
50 | PRH | 0.9060 |
51 | DXK | 0.9051 |
52 | 28A | 0.9050 |
53 | F18 | 0.9049 |
54 | 8OB | 0.9048 |
55 | MJW | 0.9041 |
56 | NOS | 0.9036 |
57 | 7L4 | 0.9036 |
58 | 2QU | 0.9032 |
59 | 9CE | 0.9031 |
60 | NXB | 0.9031 |
61 | ZRL | 0.9027 |
62 | 0UL | 0.9025 |
63 | 3CA | 0.9024 |
64 | FHI | 0.9020 |
65 | OLU | 0.9018 |
66 | LR2 | 0.9017 |
67 | 7VF | 0.9017 |
68 | 2JX | 0.9015 |
69 | 5I5 | 0.9015 |
70 | SZ5 | 0.9009 |
71 | 0X2 | 0.9008 |
72 | 7FZ | 0.9007 |
73 | RGK | 0.9006 |
74 | 3F4 | 0.9005 |
75 | F40 | 0.9005 |
76 | B4L | 0.9004 |
77 | 4AU | 0.9004 |
78 | FY8 | 0.9003 |
79 | 272 | 0.8997 |
80 | C0H | 0.8996 |
81 | DFL | 0.8994 |
82 | FCW | 0.8990 |
83 | U14 | 0.8986 |
84 | P4L | 0.8986 |
85 | 4EU | 0.8986 |
86 | EAT | 0.8981 |
87 | 25F | 0.8981 |
88 | L2K | 0.8980 |
89 | 92O | 0.8975 |
90 | 26C | 0.8969 |
91 | A73 | 0.8969 |
92 | II4 | 0.8968 |
93 | 20D | 0.8968 |
94 | BBY | 0.8967 |
95 | XYP XIM | 0.8966 |
96 | EF2 | 0.8966 |
97 | PQS | 0.8963 |
98 | THU | 0.8961 |
99 | XYP AHR | 0.8961 |
100 | TLF | 0.8961 |
101 | 5N5 | 0.8960 |
102 | 2FA | 0.8959 |
103 | 848 | 0.8959 |
104 | 7G0 | 0.8957 |
105 | KF5 | 0.8957 |
106 | BMC | 0.8955 |
107 | 1V1 | 0.8953 |
108 | JFS | 0.8953 |
109 | TRP | 0.8953 |
110 | MUK | 0.8952 |
111 | S0D | 0.8951 |
112 | WLH | 0.8950 |
113 | 5E5 | 0.8950 |
114 | 3D1 | 0.8949 |
115 | LJ4 | 0.8948 |
116 | L3L | 0.8948 |
117 | 3WJ | 0.8946 |
118 | CJZ | 0.8945 |
119 | 5CD | 0.8942 |
120 | 68B | 0.8937 |
121 | AUV | 0.8936 |
122 | 7QY | 0.8935 |
123 | AGI | 0.8935 |
124 | DSQ | 0.8934 |
125 | ID8 | 0.8934 |
126 | EMU | 0.8932 |
127 | L5D | 0.8932 |
128 | X2M | 0.8932 |
129 | EQW | 0.8931 |
130 | XCG | 0.8931 |
131 | AJ6 | 0.8930 |
132 | HH6 | 0.8930 |
133 | 5S9 | 0.8929 |
134 | OUA | 0.8926 |
135 | DBS | 0.8925 |
136 | NE1 | 0.8925 |
137 | IW1 | 0.8924 |
138 | 51Y | 0.8924 |
139 | LU2 | 0.8923 |
140 | 4L2 | 0.8922 |
141 | 57D | 0.8921 |
142 | FHV | 0.8917 |
143 | 1ZC | 0.8916 |
144 | 3JC | 0.8915 |
145 | Q4G | 0.8914 |
146 | A51 | 0.8913 |
147 | FZM | 0.8913 |
148 | 2P3 | 0.8912 |
149 | XTS | 0.8910 |
150 | LVY | 0.8910 |
151 | H4B | 0.8910 |
152 | 3WN | 0.8907 |
153 | 3WO | 0.8907 |
154 | LI4 | 0.8905 |
155 | 5C1 | 0.8905 |
156 | X48 | 0.8902 |
157 | 08C | 0.8900 |
158 | MZR | 0.8899 |
159 | 4G2 | 0.8897 |
160 | UA2 | 0.8896 |
161 | NKI | 0.8895 |
162 | NW1 | 0.8894 |
163 | 4FF | 0.8894 |
164 | 97K | 0.8893 |
165 | LL1 | 0.8892 |
166 | A | 0.8891 |
167 | 6EL | 0.8891 |
168 | CTE | 0.8889 |
169 | TGW | 0.8886 |
170 | 6J3 | 0.8885 |
171 | C2M | 0.8883 |
172 | GAL FUC | 0.8881 |
173 | 3GX | 0.8880 |
174 | KWB | 0.8880 |
175 | 6DQ | 0.8879 |
176 | TI7 | 0.8878 |
177 | CWE | 0.8877 |
178 | 96Z | 0.8874 |
179 | NAL | 0.8873 |
180 | XYA | 0.8873 |
181 | IMH | 0.8872 |
182 | YE6 | 0.8872 |
183 | ERZ | 0.8871 |
184 | 3WK | 0.8869 |
185 | FMQ | 0.8868 |
186 | B5A | 0.8865 |
187 | M3W | 0.8864 |
188 | VT3 | 0.8863 |
189 | 22L | 0.8862 |
190 | HBI | 0.8860 |
191 | TH1 | 0.8859 |
192 | N2Y | 0.8859 |
193 | 1SF | 0.8858 |
194 | D1Y | 0.8857 |
195 | IFM BGC | 0.8856 |
196 | WDW | 0.8856 |
197 | 397 | 0.8855 |
198 | JCZ | 0.8855 |
199 | URI | 0.8855 |
200 | A4V | 0.8853 |
201 | BGC OXZ | 0.8852 |
202 | Y70 | 0.8851 |
203 | 1DA | 0.8851 |
204 | DFV | 0.8850 |
205 | 5ID | 0.8850 |
206 | 8WB | 0.8848 |
207 | 6QT | 0.8846 |
208 | BGC BGC | 0.8845 |
209 | EQA | 0.8845 |
210 | TBN | 0.8844 |
211 | ESE | 0.8841 |
212 | CUH | 0.8840 |
213 | NU3 | 0.8839 |
214 | EZB | 0.8837 |
215 | A7Q | 0.8835 |
216 | IMK | 0.8835 |
217 | KW7 | 0.8833 |
218 | ZZA | 0.8832 |
219 | 11X | 0.8831 |
220 | 3AD | 0.8830 |
221 | FB4 | 0.8830 |
222 | M01 | 0.8829 |
223 | H75 | 0.8828 |
224 | 47V | 0.8826 |
225 | 9MR | 0.8826 |
226 | MTA | 0.8824 |
227 | NIY | 0.8823 |
228 | GZV | 0.8823 |
229 | 6J5 | 0.8822 |
230 | 5VU | 0.8822 |
231 | FT2 | 0.8821 |
232 | 1XS | 0.8818 |
233 | G14 | 0.8817 |
234 | ENG | 0.8815 |
235 | 42R | 0.8814 |
236 | 5WK | 0.8812 |
237 | EES | 0.8811 |
238 | 64I | 0.8811 |
239 | KP2 | 0.8809 |
240 | 1HP | 0.8809 |
241 | 1KN | 0.8806 |
242 | MXD | 0.8805 |
243 | JF8 | 0.8805 |
244 | 2D2 | 0.8805 |
245 | E9S | 0.8804 |
246 | 363 | 0.8804 |
247 | 5E4 | 0.8800 |
248 | NAR | 0.8799 |
249 | 2LT | 0.8799 |
250 | IDZ | 0.8798 |
251 | 4Z1 | 0.8798 |
252 | MTP | 0.8796 |
253 | AP6 | 0.8796 |
254 | S1D | 0.8792 |
255 | Q0K | 0.8792 |
256 | 4MP | 0.8791 |
257 | CUQ | 0.8790 |
258 | JSX | 0.8789 |
259 | 4ZF | 0.8787 |
260 | VBC | 0.8785 |
261 | 9FH | 0.8783 |
262 | 3RP | 0.8779 |
263 | HO4 | 0.8779 |
264 | RPP | 0.8778 |
265 | 0OO | 0.8776 |
266 | 7G1 | 0.8776 |
267 | 1Q4 | 0.8776 |
268 | IDD | 0.8775 |
269 | 4K2 | 0.8774 |
270 | AVA | 0.8772 |
271 | 2GD | 0.8771 |
272 | H7S | 0.8769 |
273 | C4F | 0.8766 |
274 | FNA | 0.8766 |
275 | 16Z | 0.8765 |
276 | CX5 | 0.8763 |
277 | D9Z | 0.8763 |
278 | KYN | 0.8762 |
279 | 120 | 0.8760 |
280 | 7D7 | 0.8759 |
281 | 5NN | 0.8759 |
282 | BNY | 0.8758 |
283 | 3DE | 0.8758 |
284 | UKV | 0.8757 |
285 | DK4 | 0.8756 |
286 | 8D6 | 0.8755 |
287 | GFE | 0.8754 |
288 | YUG | 0.8753 |
289 | IQW | 0.8751 |
290 | 5NB | 0.8751 |
291 | 2M7 | 0.8751 |
292 | 50Q | 0.8750 |
293 | 4NR | 0.8749 |
294 | 6DE | 0.8746 |
295 | DCN | 0.8744 |
296 | F4U | 0.8743 |
297 | 14N | 0.8743 |
298 | A4D | 0.8741 |
299 | DDC | 0.8741 |
300 | MG7 | 0.8740 |
301 | SCE | 0.8740 |
302 | 6EN | 0.8739 |
303 | BXZ | 0.8739 |
304 | TOH | 0.8739 |
305 | TYP | 0.8737 |
306 | 5M2 | 0.8735 |
307 | 1V8 | 0.8735 |
308 | H2B | 0.8734 |
309 | 5CQ | 0.8734 |
310 | TPM | 0.8734 |
311 | MHB | 0.8734 |
312 | E3X | 0.8733 |
313 | 9UL | 0.8733 |
314 | G30 | 0.8732 |
315 | ZTW | 0.8730 |
316 | CJB | 0.8730 |
317 | 9FG | 0.8728 |
318 | 1ER | 0.8728 |
319 | CL9 | 0.8725 |
320 | GXG | 0.8724 |
321 | 0ON | 0.8724 |
322 | 1AJ | 0.8722 |
323 | A6H | 0.8721 |
324 | EDG AHR | 0.8721 |
325 | GLC BGC | 0.8720 |
326 | FT6 | 0.8720 |
327 | 0GA | 0.8720 |
328 | SA0 | 0.8719 |
329 | BMZ | 0.8719 |
330 | MW5 | 0.8718 |
331 | CDJ | 0.8716 |
332 | W8L | 0.8716 |
333 | CC6 | 0.8716 |
334 | Z16 | 0.8716 |
335 | GNW | 0.8715 |
336 | 50C | 0.8715 |
337 | 8OE | 0.8714 |
338 | FPL | 0.8713 |
339 | Q2S | 0.8713 |
340 | 0OP | 0.8711 |
341 | 4Z9 | 0.8709 |
342 | DKZ | 0.8706 |
343 | NPZ | 0.8705 |
344 | ZYV | 0.8705 |
345 | 2L1 | 0.8705 |
346 | 0NJ | 0.8703 |
347 | 5ER | 0.8703 |
348 | GJB | 0.8701 |
349 | VJJ | 0.8701 |
350 | DKX | 0.8700 |
351 | BVS | 0.8700 |
352 | GMP | 0.8699 |
353 | DZ1 | 0.8699 |
354 | NQ7 | 0.8697 |
355 | DTK | 0.8697 |
356 | 6P3 | 0.8694 |
357 | A18 | 0.8689 |
358 | 7ZO | 0.8689 |
359 | A63 | 0.8689 |
360 | DMB | 0.8687 |
361 | B2L | 0.8687 |
362 | LOT | 0.8687 |
363 | MJ5 | 0.8686 |
364 | KPV | 0.8684 |
365 | K80 | 0.8683 |
366 | DS8 | 0.8683 |
367 | 6MD | 0.8683 |
368 | CMG | 0.8682 |
369 | 0XR | 0.8681 |
370 | GJG | 0.8681 |
371 | Z15 | 0.8680 |
372 | FTU | 0.8679 |
373 | 3VQ | 0.8678 |
374 | 27F | 0.8678 |
375 | CH8 | 0.8678 |
376 | EKH | 0.8675 |
377 | BPY | 0.8675 |
378 | M02 | 0.8672 |
379 | 205 | 0.8672 |
380 | H2W | 0.8670 |
381 | 5DE | 0.8668 |
382 | DE7 | 0.8668 |
383 | HHV | 0.8666 |
384 | JNW | 0.8666 |
385 | X29 | 0.8665 |
386 | D64 | 0.8664 |
387 | BIO | 0.8663 |
388 | PUR | 0.8660 |
389 | 2L2 | 0.8659 |
390 | E9L | 0.8659 |
391 | 5CJ | 0.8657 |
392 | B21 | 0.8655 |
393 | S0G | 0.8654 |
394 | TIA | 0.8654 |
395 | HPR | 0.8654 |
396 | NK5 | 0.8654 |
397 | 4AB | 0.8653 |
398 | IEE | 0.8652 |
399 | GPQ | 0.8652 |
400 | MMS | 0.8647 |
401 | 4F8 | 0.8646 |
402 | NYJ | 0.8645 |
403 | 7ZL | 0.8645 |
404 | X6W | 0.8644 |
405 | 5OR | 0.8642 |
406 | 47X | 0.8641 |
407 | OJD | 0.8640 |
408 | MQR | 0.8637 |
409 | DGO Z61 | 0.8637 |
410 | 1A5 | 0.8637 |
411 | 5P7 | 0.8634 |
412 | RE4 | 0.8633 |
413 | MQS | 0.8630 |
414 | KMP | 0.8628 |
415 | 3Q0 | 0.8627 |
416 | Z57 | 0.8622 |
417 | AKD | 0.8619 |
418 | A4N | 0.8619 |
419 | 26A | 0.8616 |
420 | A4T | 0.8614 |
421 | 7W7 | 0.8609 |
422 | 5TO | 0.8608 |
423 | 802 | 0.8607 |
424 | ELH | 0.8605 |
425 | VIB | 0.8605 |
426 | J47 | 0.8603 |
427 | JMG | 0.8600 |
428 | 6WU | 0.8598 |
429 | RVE | 0.8595 |
430 | AHR FUB | 0.8593 |
431 | 7AP | 0.8587 |
432 | 6MW | 0.8586 |
433 | H35 | 0.8581 |
434 | 1V4 | 0.8578 |
435 | I0D | 0.8577 |
436 | BMA BGC | 0.8576 |
437 | CC7 | 0.8567 |
438 | O9Q | 0.8563 |
439 | J84 | 0.8561 |
440 | 7GY | 0.8560 |
441 | 79W | 0.8560 |
442 | GAT | 0.8559 |
443 | KLE | 0.8554 |
444 | FUB FUB | 0.8553 |
445 | A7K | 0.8551 |
446 | 6NZ | 0.8551 |
447 | LZ5 | 0.8548 |
448 | U19 | 0.8546 |
449 | 1V3 | 0.8545 |
450 | GPU | 0.8544 |
451 | EUN | 0.8530 |
452 | 6FX | 0.8529 |
453 | L1T | 0.8529 |
454 | IXG | 0.8525 |
455 | 613 | 0.8522 |
456 | HX8 | 0.8517 |
457 | IMV | 0.8513 |
458 | 7LU | 0.8511 |
459 | OSP | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 1fh8.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4PMZ | XYP XYP | 35.3135 |
2 | 2WZE | XYP XYP XYP | 48.7179 |
3 | 2W5F | XYP XYP XYP | 49.359 |