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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 261 families. | |||||
1 | 2DUA | Ki = 17 uM | OXL | C2 O4 | C(=O)(C(=O.... |
2 | 2HJP | - | PPR | C3 H5 O6 P | C(C(=O)C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1PYM | - | OXL | C2 O4 | C(=O)(C(=O.... |
2 | 1M1B | Ki = 22 uM | SPV | C3 H4 O6 S | C(C(=O)C(=.... |
3 | 1XG3 | - | PYR | C3 H4 O3 | CC(=O)C(=O.... |
4 | 2DUA | Ki = 17 uM | OXL | C2 O4 | C(=O)(C(=O.... |
5 | 2HJP | - | PPR | C3 H5 O6 P | C(C(=O)C(=.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PEP | 0.9964 |
2 | 3SL | 0.9875 |
3 | GZ3 | 0.9810 |
4 | SPV | 0.9777 |
5 | R67 | 0.9767 |
6 | PGA | 0.9702 |
7 | 0V5 | 0.9661 |
8 | X1S | 0.9624 |
9 | LLQ | 0.9623 |
10 | PMB | 0.9584 |
11 | LEU | 0.9581 |
12 | AL0 | 0.9565 |
13 | ACH | 0.9564 |
14 | 3PP | 0.9557 |
15 | FB2 | 0.9550 |
16 | ASP | 0.9545 |
17 | ASN | 0.9537 |
18 | MLT | 0.9527 |
19 | PEQ | 0.9525 |
20 | LMR | 0.9516 |
21 | 2PG | 0.9508 |
22 | 1GP | 0.9497 |
23 | HL5 | 0.9476 |
24 | GPJ | 0.9472 |
25 | GPF | 0.9472 |
26 | CRN | 0.9465 |
27 | OSE | 0.9454 |
28 | PGH | 0.9436 |
29 | OAA | 0.9423 |
30 | COI | 0.9416 |
31 | TLA | 0.9416 |
32 | 13P | 0.9410 |
33 | DAS | 0.9405 |
34 | 3PG | 0.9401 |
35 | G3P | 0.9398 |
36 | TEO | 0.9393 |
37 | GP9 | 0.9389 |
38 | CYX | 0.9387 |
39 | 1SA | 0.9386 |
40 | CIZ | 0.9374 |
41 | DS0 | 0.9362 |
42 | IOM | 0.9358 |
43 | PSE | 0.9356 |
44 | AKG | 0.9345 |
45 | KVP | 0.9337 |
46 | PAH | 0.9331 |
47 | 2RH | 0.9323 |
48 | 98J | 0.9320 |
49 | UGC | 0.9314 |
50 | LTL | 0.9310 |
51 | SEP | 0.9310 |
52 | GLN | 0.9308 |
53 | PEZ | 0.9307 |
54 | QMP | 0.9304 |
55 | FBV | 0.9304 |
56 | GLU | 0.9303 |
57 | FUM | 0.9299 |
58 | G3H | 0.9298 |
59 | HG3 | 0.9297 |
60 | 3S5 | 0.9291 |
61 | 152 | 0.9291 |
62 | HBU | 0.9286 |
63 | 4NG | 0.9285 |
64 | ITN | 0.9284 |
65 | PMF | 0.9282 |
66 | SKG | 0.9281 |
67 | HX2 | 0.9281 |
68 | XSP | 0.9276 |
69 | 129 | 0.9272 |
70 | CMS | 0.9256 |
71 | PC | 0.9254 |
72 | 4MV | 0.9253 |
73 | MDN | 0.9250 |
74 | PAC | 0.9249 |
75 | MAE | 0.9241 |
76 | URP | 0.9235 |
77 | 1DV | 0.9229 |
78 | SIN | 0.9226 |
79 | DGN | 0.9223 |
80 | 173 | 0.9218 |
81 | 1SH | 0.9212 |
82 | 40E | 0.9210 |
83 | BNS | 0.9210 |
84 | GUA | 0.9208 |
85 | DYA | 0.9205 |
86 | JYD | 0.9205 |
87 | GG6 | 0.9202 |
88 | NIO | 0.9201 |
89 | FBW | 0.9197 |
90 | FCN | 0.9197 |
91 | MEV | 0.9197 |
92 | SRT | 0.9195 |
93 | DGL | 0.9190 |
94 | 2IT | 0.9190 |
95 | QY9 | 0.9190 |
96 | 6PC | 0.9190 |
97 | TAR | 0.9188 |
98 | PIS | 0.9187 |
99 | PPV | 0.9185 |
100 | QDK | 0.9183 |
101 | FOC | 0.9183 |
102 | SVD | 0.9182 |
103 | BEN | 0.9178 |
104 | ISZ | 0.9177 |
105 | PBC | 0.9177 |
106 | AHB | 0.9175 |
107 | BEZ | 0.9173 |
108 | NCA | 0.9173 |
109 | PZA | 0.9172 |
110 | XCZ | 0.9172 |
111 | CFI | 0.9171 |
112 | 4LR | 0.9171 |
113 | ORN | 0.9171 |
114 | OGA | 0.9169 |
115 | 3LR | 0.9168 |
116 | BAM | 0.9166 |
117 | KMH | 0.9164 |
118 | G2H | 0.9162 |
119 | HDA | 0.9158 |
120 | SMN | 0.9152 |
121 | 2PN | 0.9151 |
122 | RSO | 0.9151 |
123 | OPE | 0.9146 |
124 | IZC | 0.9145 |
125 | GRO | 0.9145 |
126 | PZI | 0.9144 |
127 | POP | 0.9141 |
128 | 9X6 | 0.9137 |
129 | 1DQ | 0.9133 |
130 | NBZ | 0.9133 |
131 | TPA | 0.9132 |
132 | 7N0 | 0.9130 |
133 | ONL | 0.9122 |
134 | PLU | 0.9118 |
135 | GJZ | 0.9116 |
136 | IP8 | 0.9115 |
137 | TPO | 0.9114 |
138 | TB6 | 0.9111 |
139 | UNU | 0.9110 |
140 | GLY GLY | 0.9110 |
141 | 2AS | 0.9110 |
142 | HPS | 0.9106 |
143 | A20 | 0.9096 |
144 | HSO | 0.9096 |
145 | URQ | 0.9092 |
146 | FK8 | 0.9091 |
147 | MLE | 0.9091 |
148 | HSE | 0.9091 |
149 | NM3 | 0.9088 |
150 | RUJ | 0.9086 |
151 | S2G | 0.9083 |
152 | RNT | 0.9081 |
153 | B85 | 0.9081 |
154 | 8OZ | 0.9078 |
155 | OEG | 0.9077 |
156 | SYM | 0.9076 |
157 | S0H | 0.9076 |
158 | HIO | 0.9074 |
159 | DAL DAL | 0.9072 |
160 | 2CO | 0.9072 |
161 | MZT | 0.9069 |
162 | SYC | 0.9069 |
163 | 51R | 0.9066 |
164 | 3V4 | 0.9065 |
165 | HIS | 0.9063 |
166 | NM2 | 0.9063 |
167 | THE | 0.9062 |
168 | FPY | 0.9062 |
169 | FBM | 0.9061 |
170 | XYL | 0.9060 |
171 | RB5 | 0.9060 |
172 | PCA | 0.9056 |
173 | 8EW | 0.9055 |
174 | 6JN | 0.9054 |
175 | F9P | 0.9052 |
176 | NMG | 0.9052 |
177 | ZGL | 0.9052 |
178 | RMN | 0.9050 |
179 | 2D8 | 0.9049 |
180 | NXA | 0.9049 |
181 | RAT | 0.9047 |
182 | PRO | 0.9045 |
183 | CCE | 0.9045 |
184 | LY0 | 0.9044 |
185 | GVM | 0.9043 |
186 | DYT | 0.9039 |
187 | ODV | 0.9039 |
188 | OEM | 0.9033 |
189 | P22 | 0.9032 |
190 | 5XB | 0.9030 |
191 | 9ON | 0.9026 |
192 | H95 | 0.9025 |
193 | DII | 0.9025 |
194 | 2FT | 0.9021 |
195 | 7WG | 0.9021 |
196 | BE2 | 0.9019 |
197 | IQ0 | 0.9018 |
198 | ICF | 0.9017 |
199 | CP | 0.9015 |
200 | 6M4 | 0.9015 |
201 | GAB | 0.9015 |
202 | 3HP | 0.9015 |
203 | GLL | 0.9014 |
204 | 9X7 | 0.9013 |
205 | CCD | 0.9013 |
206 | M58 | 0.9012 |
207 | 7BC | 0.9011 |
208 | YCP | 0.9011 |
209 | KTA | 0.9011 |
210 | QSC | 0.9011 |
211 | TFB | 0.9009 |
212 | SS1 | 0.9006 |
213 | PAF | 0.9004 |
214 | 3HB | 0.9002 |
215 | VGL | 0.9000 |
216 | AT3 | 0.8998 |
217 | MED | 0.8996 |
218 | SPA | 0.8996 |
219 | 2HG | 0.8993 |
220 | SD4 | 0.8990 |
221 | 3YP | 0.8990 |
222 | 3HG | 0.8986 |
223 | NVA | 0.8986 |
224 | OKG | 0.8984 |
225 | 5FX | 0.8984 |
226 | MET | 0.8982 |
227 | MUC | 0.8979 |
228 | 9RW | 0.8978 |
229 | GGL | 0.8977 |
230 | PEA | 0.8975 |
231 | OVV | 0.8973 |
232 | RTK | 0.8971 |
233 | XLS | 0.8970 |
234 | ILE | 0.8970 |
235 | I2M | 0.8967 |
236 | 2PC | 0.8967 |
237 | SOL | 0.8964 |
238 | Q07 | 0.8963 |
239 | NLE | 0.8963 |
240 | OHP | 0.8962 |
241 | KPL | 0.8961 |
242 | FA1 | 0.8958 |
243 | 7A8 | 0.8957 |
244 | DAB | 0.8957 |
245 | ZBT | 0.8955 |
246 | SHF | 0.8954 |
247 | MRZ | 0.8953 |
248 | SC2 | 0.8950 |
249 | RNS | 0.8948 |
250 | HCS | 0.8948 |
251 | R9M | 0.8948 |
252 | 3OC | 0.8947 |
253 | UY7 | 0.8945 |
254 | R9S | 0.8945 |
255 | NTN | 0.8943 |
256 | JZ5 | 0.8941 |
257 | SAT | 0.8940 |
258 | RBL | 0.8939 |
259 | HZP | 0.8936 |
260 | 0OC | 0.8935 |
261 | I4B | 0.8935 |
262 | 911 | 0.8935 |
263 | ROR | 0.8934 |
264 | HYP | 0.8932 |
265 | HCI | 0.8932 |
266 | 4CS | 0.8929 |
267 | DAV | 0.8927 |
268 | PEL | 0.8927 |
269 | DCL | 0.8927 |
270 | N4B | 0.8926 |
271 | TZE | 0.8926 |
272 | VAL | 0.8924 |
273 | 4NC | 0.8920 |
274 | SME | 0.8920 |
275 | 69O | 0.8919 |
276 | XBT | 0.8919 |
277 | LNO | 0.8918 |
278 | CHH | 0.8916 |
279 | THR | 0.8916 |
280 | PCT | 0.8911 |
281 | SNE | 0.8908 |
282 | DHS | 0.8904 |
283 | AC6 | 0.8904 |
284 | 6NA | 0.8903 |
285 | HY1 | 0.8902 |
286 | R2P | 0.8901 |
287 | JZ7 | 0.8901 |
288 | CXP | 0.8900 |
289 | 9TY | 0.8897 |
290 | 2TQ | 0.8896 |
291 | 0VT | 0.8896 |
292 | OTR | 0.8896 |
293 | EHM | 0.8895 |
294 | 51F | 0.8895 |
295 | 4XR | 0.8894 |
296 | UYA | 0.8889 |
297 | SOR | 0.8889 |
298 | FSG | 0.8888 |
299 | IHG | 0.8887 |
300 | 2AL | 0.8885 |
301 | PBE | 0.8885 |
302 | M6W | 0.8884 |
303 | KMT | 0.8880 |
304 | HSM | 0.8880 |
305 | AG2 | 0.8876 |
306 | DHI | 0.8875 |
307 | HHI | 0.8872 |
308 | 271 | 0.8871 |
309 | HYA | 0.8871 |
310 | 3SK | 0.8870 |
311 | 8EZ | 0.8868 |
312 | 449 | 0.8867 |
313 | 23B | 0.8867 |
314 | FBJ | 0.8867 |
315 | TZL | 0.8866 |
316 | AC5 | 0.8864 |
317 | 9YL | 0.8863 |
318 | HY3 | 0.8863 |
319 | TMH | 0.8860 |
320 | APG | 0.8859 |
321 | TIU | 0.8859 |
322 | CXF | 0.8859 |
323 | VAH | 0.8857 |
324 | OAF | 0.8857 |
325 | MEQ | 0.8854 |
326 | GYE | 0.8853 |
327 | 3AB | 0.8853 |
328 | 60P | 0.8853 |
329 | XUL | 0.8853 |
330 | T2C | 0.8852 |
331 | 273 | 0.8851 |
332 | KIV | 0.8846 |
333 | PG3 | 0.8845 |
334 | R1X | 0.8844 |
335 | HMS | 0.8842 |
336 | TIH | 0.8839 |
337 | QFH | 0.8837 |
338 | LYS | 0.8837 |
339 | MPD | 0.8837 |
340 | R2B | 0.8836 |
341 | AMC | 0.8831 |
342 | 3BU | 0.8829 |
343 | IXW | 0.8827 |
344 | ASC | 0.8825 |
345 | B40 | 0.8823 |
346 | DMV | 0.8822 |
347 | XX2 | 0.8822 |
348 | 3AL | 0.8818 |
349 | FEH | 0.8814 |
350 | I38 | 0.8810 |
351 | C21 | 0.8809 |
352 | HF2 | 0.8808 |
353 | 9SE | 0.8808 |
354 | PPY | 0.8808 |
355 | HFA | 0.8803 |
356 | NMJ | 0.8802 |
357 | PRA | 0.8800 |
358 | GLO | 0.8799 |
359 | 8GC | 0.8799 |
360 | 1DU | 0.8795 |
361 | TAG | 0.8794 |
362 | HGA | 0.8792 |
363 | MRY | 0.8791 |
364 | ABU | 0.8789 |
365 | FP1 | 0.8785 |
366 | HTX | 0.8784 |
367 | 49F | 0.8781 |
368 | 3QM | 0.8779 |
369 | 3MV | 0.8777 |
370 | ALO | 0.8777 |
371 | SDD | 0.8775 |
372 | 5HY | 0.8772 |
373 | BNF | 0.8771 |
374 | AC0 | 0.8770 |
375 | LUQ | 0.8767 |
376 | 41K | 0.8766 |
377 | LDU | 0.8765 |
378 | LEA | 0.8765 |
379 | DPN | 0.8764 |
380 | DPR | 0.8764 |
381 | K6H | 0.8761 |
382 | C5A | 0.8760 |
383 | DPF | 0.8759 |
384 | LPK | 0.8756 |
385 | IPM | 0.8755 |
386 | FUD | 0.8754 |
387 | 9J3 | 0.8754 |
388 | RUU | 0.8754 |
389 | LYN | 0.8752 |
390 | CSS | 0.8752 |
391 | Q02 | 0.8752 |
392 | AOS | 0.8748 |
393 | PRS | 0.8747 |
394 | MTL | 0.8746 |
395 | PHE | 0.8744 |
396 | 4HP | 0.8744 |
397 | LER | 0.8742 |
398 | AKB | 0.8740 |
399 | N8P | 0.8731 |
400 | IFL | 0.8728 |
401 | ALA ALA | 0.8725 |
402 | 54D | 0.8723 |
403 | PSJ | 0.8722 |
404 | JZ4 | 0.8721 |
405 | 1P3 | 0.8721 |
406 | MSE | 0.8719 |
407 | K7M | 0.8719 |
408 | 1LN | 0.8711 |
409 | ISD | 0.8706 |
410 | GLY ALA | 0.8705 |
411 | E4P | 0.8701 |
412 | X1R | 0.8700 |
413 | 261 | 0.8689 |
414 | IMR | 0.8687 |
415 | NK1 | 0.8686 |
416 | BHH | 0.8685 |
417 | ACA | 0.8685 |
418 | PBA | 0.8685 |
419 | 4SV | 0.8684 |
420 | 32O | 0.8678 |
421 | BSX | 0.8678 |
422 | DTL | 0.8677 |
423 | EDG | 0.8677 |
424 | 2LP | 0.8672 |
425 | IT2 | 0.8668 |
426 | GOJ | 0.8663 |
427 | MNM | 0.8649 |
428 | J0Z | 0.8647 |
429 | SSN | 0.8646 |
430 | M45 | 0.8642 |
431 | KDG | 0.8638 |
432 | 5HN | 0.8620 |
433 | 1X4 | 0.8608 |
434 | FOM | 0.8608 |
435 | BE7 | 0.8606 |
436 | LRH | 0.8605 |
437 | BDF | 0.8602 |
438 | GTK | 0.8598 |
439 | CEE | 0.8588 |
440 | GCO | 0.8588 |
441 | L3Q | 0.8584 |
442 | AEG | 0.8565 |
443 | DTU | 0.8565 |
444 | 6CS | 0.8555 |
445 | ICB | 0.8547 |
446 | NYL | 0.8542 |
447 | CIT | 0.8522 |
This union binding pocket(no: 1) in the query (biounit: 2dua.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2dua.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2dua.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2dua.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |