- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 5 families. | |||||
1 | 1XFF | Ki = 15 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
2 | 1XFG | - | HGA | C5 H10 N2 O4 | C(CC(=O)NO.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1XFF | Ki = 15 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
2 | 1XFG | - | HGA | C5 H10 N2 O4 | C(CC(=O)NO.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HGA | 1 | 1 |
2 | MEQ | 0.617647 | 0.675 |
3 | DGL | 0.53125 | 0.666667 |
4 | GLU | 0.53125 | 0.666667 |
5 | GGL | 0.53125 | 0.666667 |
6 | GLN | 0.53125 | 0.75 |
7 | DGN | 0.53125 | 0.75 |
8 | 3GC | 0.512195 | 0.666667 |
9 | SD4 | 0.5 | 0.871795 |
10 | KSN | 0.488372 | 0.717949 |
11 | BWS | 0.428571 | 0.636364 |
12 | API | 0.424242 | 0.648649 |
13 | ONH | 0.421053 | 0.75 |
14 | GSH | 0.42 | 0.622222 |
15 | NNH | 0.414634 | 0.604167 |
16 | 5PU | 0.408163 | 0.780488 |
17 | 5Q1 | 0.408163 | 0.780488 |
18 | 11C | 0.405405 | 0.648649 |
19 | UN1 | 0.405405 | 0.648649 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DIR | 0.9745 |
2 | AKG | 0.9678 |
3 | 9ON | 0.9658 |
4 | 2IT | 0.9646 |
5 | OGA | 0.9639 |
6 | LYS | 0.9609 |
7 | 7OD | 0.9574 |
8 | S2G | 0.9564 |
9 | ONL | 0.9560 |
10 | DLY | 0.9420 |
11 | 2HG | 0.9420 |
12 | N9J | 0.9395 |
13 | LYN | 0.9304 |
14 | FOC | 0.9276 |
15 | 8SZ | 0.9264 |
16 | MHO | 0.9259 |
17 | 7BC | 0.9248 |
18 | 3YP | 0.9245 |
19 | ORN | 0.9244 |
20 | 2FT | 0.9242 |
21 | 13P | 0.9242 |
22 | OOG | 0.9242 |
23 | SEP | 0.9236 |
24 | K6H | 0.9228 |
25 | L22 | 0.9227 |
26 | MET | 0.9215 |
27 | PPY | 0.9211 |
28 | AHN | 0.9211 |
29 | PHE | 0.9210 |
30 | IWT | 0.9208 |
31 | TIH | 0.9201 |
32 | B3U | 0.9201 |
33 | 3PG | 0.9199 |
34 | PH3 | 0.9188 |
35 | KDG | 0.9185 |
36 | PGH | 0.9184 |
37 | HL5 | 0.9183 |
38 | 8GL | 0.9177 |
39 | DHM | 0.9172 |
40 | TYR | 0.9171 |
41 | HPV | 0.9167 |
42 | GP9 | 0.9166 |
43 | MLT | 0.9164 |
44 | SME | 0.9164 |
45 | XIZ | 0.9163 |
46 | DZA | 0.9162 |
47 | J9N | 0.9162 |
48 | HQJ | 0.9161 |
49 | GUA | 0.9159 |
50 | KMH | 0.9159 |
51 | NLE | 0.9153 |
52 | 9J3 | 0.9152 |
53 | HG3 | 0.9150 |
54 | R20 | 0.9147 |
55 | MSL | 0.9145 |
56 | URO | 0.9142 |
57 | KMT | 0.9138 |
58 | HIS | 0.9135 |
59 | NWH | 0.9133 |
60 | HX4 | 0.9132 |
61 | ARG | 0.9124 |
62 | IVL | 0.9122 |
63 | OSE | 0.9122 |
64 | LMR | 0.9117 |
65 | ENO | 0.9116 |
66 | REL | 0.9115 |
67 | FOM | 0.9113 |
68 | DXG | 0.9109 |
69 | OEG | 0.9109 |
70 | 7VP | 0.9099 |
71 | SYM | 0.9097 |
72 | G3P | 0.9091 |
73 | 9YT | 0.9090 |
74 | L5V | 0.9085 |
75 | DPN | 0.9084 |
76 | RAT | 0.9082 |
77 | 3OM | 0.9081 |
78 | MPV | 0.9081 |
79 | HFA | 0.9077 |
80 | N6C | 0.9074 |
81 | DHI | 0.9073 |
82 | S8V | 0.9072 |
83 | AL0 | 0.9071 |
84 | MLZ | 0.9064 |
85 | 0L1 | 0.9061 |
86 | K6V | 0.9059 |
87 | GLO | 0.9058 |
88 | 4TB | 0.9058 |
89 | ENW | 0.9057 |
90 | CCE | 0.9056 |
91 | MSE | 0.9055 |
92 | FK8 | 0.9054 |
93 | G3H | 0.9051 |
94 | GZ3 | 0.9049 |
95 | PO6 | 0.9047 |
96 | 1BN | 0.9046 |
97 | AG2 | 0.9046 |
98 | LTL | 0.9045 |
99 | NCT | 0.9045 |
100 | Q9Z | 0.9043 |
101 | GRO | 0.9042 |
102 | CIR | 0.9040 |
103 | HF2 | 0.9039 |
104 | HCI | 0.9039 |
105 | URQ | 0.9034 |
106 | PEP | 0.9032 |
107 | 1L5 | 0.9032 |
108 | OAA | 0.9031 |
109 | HSO | 0.9028 |
110 | ALA ALA | 0.9027 |
111 | 4LR | 0.9027 |
112 | B40 | 0.9027 |
113 | CUW | 0.9024 |
114 | 98J | 0.9024 |
115 | A3M | 0.9023 |
116 | HNK | 0.9022 |
117 | 2CO | 0.9021 |
118 | TEG | 0.9019 |
119 | DAL DAL | 0.9018 |
120 | 8OZ | 0.9017 |
121 | TYE | 0.9016 |
122 | KPA | 0.9016 |
123 | SOR | 0.9014 |
124 | HHI | 0.9013 |
125 | 069 | 0.9010 |
126 | 0VT | 0.9009 |
127 | CCU | 0.9006 |
128 | 3OL | 0.9005 |
129 | S2P | 0.9005 |
130 | BHH | 0.9002 |
131 | 173 | 0.9001 |
132 | 3LR | 0.9000 |
133 | ACA | 0.8999 |
134 | Q06 | 0.8994 |
135 | PGA | 0.8994 |
136 | DTY | 0.8994 |
137 | JX7 | 0.8990 |
138 | ASP | 0.8989 |
139 | X1S | 0.8989 |
140 | ENV | 0.8988 |
141 | GLY GLY | 0.8988 |
142 | NFA | 0.8988 |
143 | AT3 | 0.8987 |
144 | SKJ | 0.8986 |
145 | MED | 0.8986 |
146 | M3P | 0.8984 |
147 | O45 | 0.8983 |
148 | 2FM | 0.8982 |
149 | RUJ | 0.8980 |
150 | LNR | 0.8980 |
151 | J9T | 0.8978 |
152 | PRA | 0.8977 |
153 | GJZ | 0.8972 |
154 | HPN | 0.8971 |
155 | MUC | 0.8971 |
156 | DE5 | 0.8970 |
157 | 7C3 | 0.8970 |
158 | HL4 | 0.8969 |
159 | 9X6 | 0.8966 |
160 | PIM | 0.8966 |
161 | 5XA | 0.8965 |
162 | HDL | 0.8965 |
163 | FHC | 0.8963 |
164 | 3BU | 0.8962 |
165 | DAR | 0.8950 |
166 | SAN | 0.8950 |
167 | M3H | 0.8949 |
168 | CXP | 0.8949 |
169 | GGB | 0.8949 |
170 | LLH | 0.8947 |
171 | GLR | 0.8944 |
172 | I38 | 0.8943 |
173 | 152 | 0.8934 |
174 | 9RW | 0.8933 |
175 | EOU | 0.8933 |
176 | C5A | 0.8933 |
177 | LPK | 0.8932 |
178 | E4P | 0.8931 |
179 | FUD | 0.8928 |
180 | ISZ | 0.8926 |
181 | 3SL | 0.8926 |
182 | RLG | 0.8925 |
183 | SHV | 0.8923 |
184 | HNL | 0.8923 |
185 | MHN | 0.8921 |
186 | SMN | 0.8918 |
187 | 1GP | 0.8916 |
188 | XDE | 0.8913 |
189 | GPF | 0.8911 |
190 | MZT | 0.8910 |
191 | 650 | 0.8910 |
192 | HDH | 0.8908 |
193 | 1N5 | 0.8906 |
194 | OCA | 0.8906 |
195 | SLZ | 0.8905 |
196 | 2D8 | 0.8904 |
197 | 129 | 0.8903 |
198 | MF3 | 0.8903 |
199 | PSJ | 0.8900 |
200 | 6XA | 0.8897 |
201 | MTL | 0.8897 |
202 | PSE | 0.8897 |
203 | PRO GLY | 0.8896 |
204 | SSB | 0.8896 |
205 | MT2 | 0.8893 |
206 | BHO | 0.8892 |
207 | TSU | 0.8892 |
208 | GPJ | 0.8891 |
209 | AE3 | 0.8891 |
210 | 5OY | 0.8890 |
211 | SAF | 0.8890 |
212 | NM3 | 0.8888 |
213 | NIZ | 0.8887 |
214 | RMN | 0.8886 |
215 | PML | 0.8883 |
216 | OKG | 0.8882 |
217 | CCD | 0.8881 |
218 | DYT | 0.8880 |
219 | TPO | 0.8879 |
220 | PEQ | 0.8878 |
221 | URP | 0.8878 |
222 | J0Z | 0.8878 |
223 | CS2 | 0.8878 |
224 | IP8 | 0.8877 |
225 | SHI | 0.8873 |
226 | CTV | 0.8869 |
227 | 1SA | 0.8868 |
228 | 3S5 | 0.8868 |
229 | HHH | 0.8866 |
230 | ISA | 0.8864 |
231 | GVA | 0.8863 |
232 | RNS | 0.8862 |
233 | LEU | 0.8862 |
234 | APG | 0.8861 |
235 | YOF | 0.8861 |
236 | CFI | 0.8858 |
237 | I1E | 0.8857 |
238 | 6JN | 0.8855 |
239 | PPT | 0.8849 |
240 | M45 | 0.8848 |
241 | 2UB | 0.8847 |
242 | NTU | 0.8847 |
243 | LY0 | 0.8846 |
244 | SIN | 0.8846 |
245 | HMS | 0.8845 |
246 | ZGL | 0.8842 |
247 | GAE | 0.8841 |
248 | 49F | 0.8841 |
249 | SPV | 0.8840 |
250 | CHH | 0.8839 |
251 | 7UC | 0.8839 |
252 | GCO | 0.8837 |
253 | NLP | 0.8833 |
254 | HIC | 0.8832 |
255 | PMF | 0.8831 |
256 | DLT | 0.8829 |
257 | 7MU | 0.8828 |
258 | ILO | 0.8828 |
259 | LFC | 0.8824 |
260 | 4J8 | 0.8823 |
261 | QUS | 0.8819 |
262 | E0O | 0.8817 |
263 | DHS | 0.8816 |
264 | TAG | 0.8816 |
265 | MAH | 0.8816 |
266 | R2P | 0.8814 |
267 | 4V2 | 0.8814 |
268 | EN1 | 0.8811 |
269 | 2BX | 0.8808 |
270 | X1R | 0.8808 |
271 | 2JJ | 0.8807 |
272 | 6TZ | 0.8807 |
273 | 45L | 0.8807 |
274 | FF3 | 0.8806 |
275 | 4VY | 0.8805 |
276 | FBM | 0.8803 |
277 | 3CR | 0.8802 |
278 | AFS | 0.8798 |
279 | PHU | 0.8798 |
280 | Q02 | 0.8798 |
281 | 4XF | 0.8793 |
282 | PPR | 0.8792 |
283 | 3PP | 0.8792 |
284 | DXP | 0.8792 |
285 | FUM | 0.8791 |
286 | MES | 0.8790 |
287 | ACH | 0.8790 |
288 | PJL | 0.8790 |
289 | E79 | 0.8789 |
290 | LNO | 0.8786 |
291 | SOL | 0.8774 |
292 | 3HG | 0.8772 |
293 | 2PG | 0.8770 |
294 | F98 | 0.8770 |
295 | 9GB | 0.8767 |
296 | FBS | 0.8767 |
297 | ZZU | 0.8766 |
298 | NSD | 0.8765 |
299 | AHL | 0.8762 |
300 | XYH | 0.8758 |
301 | OCT | 0.8755 |
302 | 3QM | 0.8751 |
303 | PC | 0.8747 |
304 | LUQ | 0.8746 |
305 | PIY | 0.8741 |
306 | I4B | 0.8740 |
307 | 0OC | 0.8739 |
308 | FIX | 0.8738 |
309 | TPA | 0.8736 |
310 | PG0 | 0.8734 |
311 | 4BF | 0.8733 |
312 | 7QS | 0.8733 |
313 | 2EH | 0.8732 |
314 | 263 | 0.8730 |
315 | RA7 | 0.8725 |
316 | IXW | 0.8725 |
317 | RTK | 0.8724 |
318 | FEH | 0.8723 |
319 | PZI | 0.8719 |
320 | MLE | 0.8719 |
321 | MPJ | 0.8716 |
322 | 41K | 0.8716 |
323 | BHU | 0.8712 |
324 | P58 | 0.8707 |
325 | CYX | 0.8706 |
326 | F90 | 0.8706 |
327 | PFF | 0.8706 |
328 | 64Z | 0.8705 |
329 | LX1 | 0.8703 |
330 | SDD | 0.8702 |
331 | NPI | 0.8695 |
332 | M6H | 0.8694 |
333 | NF3 | 0.8693 |
334 | M4T | 0.8692 |
335 | 6HN | 0.8692 |
336 | 2AL | 0.8689 |
337 | AAS | 0.8689 |
338 | HBU | 0.8686 |
339 | RNT | 0.8686 |
340 | AOS | 0.8685 |
341 | 1AL | 0.8683 |
342 | 9SE | 0.8682 |
343 | 5LD | 0.8680 |
344 | 4JC | 0.8678 |
345 | IYR | 0.8670 |
346 | 1X4 | 0.8666 |
347 | Z70 | 0.8661 |
348 | M74 | 0.8660 |
349 | 7Q1 | 0.8659 |
350 | AHC | 0.8658 |
351 | 1SH | 0.8654 |
352 | DER | 0.8652 |
353 | QFJ | 0.8649 |
354 | OYA | 0.8647 |
355 | 9RH | 0.8645 |
356 | EQW | 0.8643 |
357 | DAV | 0.8641 |
358 | TZP | 0.8640 |
359 | GRQ | 0.8636 |
360 | RJY | 0.8630 |
361 | 8EW | 0.8629 |
362 | TYC | 0.8624 |
363 | DEZ | 0.8622 |
364 | HJH | 0.8621 |
365 | DDW | 0.8621 |
366 | 6NA | 0.8612 |
367 | 2NP | 0.8601 |
368 | GVM | 0.8596 |
369 | 4TP | 0.8594 |
370 | Y4L | 0.8589 |
371 | XRG | 0.8585 |
372 | GLY ALA | 0.8584 |
373 | 16D | 0.8580 |
374 | XRX | 0.8574 |
375 | NSB | 0.8571 |
376 | KPC | 0.8563 |
377 | HX2 | 0.8557 |
378 | 37E | 0.8550 |
379 | 5PV | 0.8532 |
380 | MMS | 0.8523 |
This union binding pocket(no: 1) in the query (biounit: 1xff.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1xff.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |