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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 3 families. | |||||
1 | 2G3F | - | IZC | C5 H6 N2 O2 | C1N=CC(=N1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2Q09 | - | DI6 | C6 H8 N2 O4 | C(CC(=O)O).... |
2 | 2PUZ | - | NIG | C6 H10 N2 O4 | [H]/N=CN[C.... |
3 | 2G3F | - | IZC | C5 H6 N2 O2 | C1N=CC(=N1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IZC | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | I4B | 0.9817 |
2 | PAC | 0.9799 |
3 | SPA | 0.9779 |
4 | QY9 | 0.9695 |
5 | COI | 0.9649 |
6 | PZI | 0.9645 |
7 | M4T | 0.9643 |
8 | MUC | 0.9637 |
9 | HSM | 0.9633 |
10 | HIS | 0.9612 |
11 | 49F | 0.9590 |
12 | OEG | 0.9576 |
13 | IOM | 0.9570 |
14 | 1DU | 0.9566 |
15 | FUM | 0.9561 |
16 | PEL | 0.9552 |
17 | PEA | 0.9545 |
18 | PCA | 0.9540 |
19 | 271 | 0.9513 |
20 | PRO | 0.9503 |
21 | TFB | 0.9501 |
22 | RSO | 0.9500 |
23 | OAA | 0.9499 |
24 | HSO | 0.9487 |
25 | URS | 0.9485 |
26 | JZ5 | 0.9474 |
27 | HY1 | 0.9463 |
28 | AKG | 0.9455 |
29 | RMN | 0.9448 |
30 | NMG | 0.9441 |
31 | 4MV | 0.9438 |
32 | MRZ | 0.9436 |
33 | GRO | 0.9435 |
34 | LMR | 0.9426 |
35 | S2G | 0.9426 |
36 | SIN | 0.9425 |
37 | DGL | 0.9420 |
38 | VKC | 0.9419 |
39 | 173 | 0.9418 |
40 | IQ0 | 0.9415 |
41 | 9ON | 0.9406 |
42 | K7M | 0.9403 |
43 | HYP | 0.9401 |
44 | GLN | 0.9398 |
45 | JZ7 | 0.9395 |
46 | GJZ | 0.9388 |
47 | ONL | 0.9382 |
48 | DGN | 0.9376 |
49 | CEE | 0.9372 |
50 | ASP | 0.9372 |
51 | PMF | 0.9370 |
52 | 2HG | 0.9367 |
53 | HX2 | 0.9362 |
54 | GLU | 0.9355 |
55 | GGL | 0.9355 |
56 | 2IT | 0.9355 |
57 | SYC | 0.9354 |
58 | M6W | 0.9353 |
59 | TAR | 0.9340 |
60 | MLT | 0.9338 |
61 | URO | 0.9337 |
62 | 1DQ | 0.9331 |
63 | 268 | 0.9328 |
64 | 7WG | 0.9326 |
65 | 3QM | 0.9325 |
66 | 51F | 0.9324 |
67 | R9M | 0.9323 |
68 | HPS | 0.9318 |
69 | BAM | 0.9315 |
70 | GLY GLY | 0.9312 |
71 | ASN | 0.9307 |
72 | H95 | 0.9305 |
73 | GUA | 0.9302 |
74 | XBT | 0.9290 |
75 | 9RW | 0.9287 |
76 | SMN | 0.9285 |
77 | 2RH | 0.9282 |
78 | MLA | 0.9277 |
79 | HZP | 0.9274 |
80 | TLA | 0.9274 |
81 | 40E | 0.9272 |
82 | 4HP | 0.9269 |
83 | 98J | 0.9268 |
84 | CMS | 0.9267 |
85 | 54D | 0.9267 |
86 | MLI | 0.9260 |
87 | TZC | 0.9259 |
88 | BEN | 0.9252 |
89 | BNF | 0.9247 |
90 | B85 | 0.9245 |
91 | YCP | 0.9243 |
92 | PBC | 0.9241 |
93 | PGA | 0.9239 |
94 | PG3 | 0.9238 |
95 | URP | 0.9237 |
96 | OHP | 0.9237 |
97 | NIO | 0.9233 |
98 | 3HP | 0.9233 |
99 | 6PC | 0.9229 |
100 | CXF | 0.9223 |
101 | NYL | 0.9221 |
102 | GLL | 0.9218 |
103 | 258 | 0.9212 |
104 | R9S | 0.9210 |
105 | JBN | 0.9207 |
106 | FK8 | 0.9203 |
107 | PZA | 0.9203 |
108 | BEZ | 0.9202 |
109 | AEG | 0.9199 |
110 | PYC | 0.9196 |
111 | FEH | 0.9196 |
112 | TZE | 0.9196 |
113 | N4B | 0.9194 |
114 | J0Z | 0.9194 |
115 | PMB | 0.9194 |
116 | M3H | 0.9192 |
117 | DS0 | 0.9191 |
118 | HL5 | 0.9189 |
119 | LEU | 0.9187 |
120 | SPV | 0.9187 |
121 | NCA | 0.9187 |
122 | 7BC | 0.9186 |
123 | ISZ | 0.9186 |
124 | BNS | 0.9185 |
125 | UY7 | 0.9185 |
126 | 2AS | 0.9184 |
127 | 2CO | 0.9181 |
128 | HDA | 0.9175 |
129 | T2C | 0.9172 |
130 | FBJ | 0.9171 |
131 | SHF | 0.9170 |
132 | I1E | 0.9169 |
133 | ITN | 0.9169 |
134 | CRN | 0.9168 |
135 | OGA | 0.9167 |
136 | AEF | 0.9165 |
137 | OK7 | 0.9165 |
138 | PHE | 0.9164 |
139 | M58 | 0.9164 |
140 | NBZ | 0.9158 |
141 | MAE | 0.9157 |
142 | TEO | 0.9155 |
143 | TPA | 0.9149 |
144 | 3PG | 0.9147 |
145 | PPR | 0.9145 |
146 | 69O | 0.9144 |
147 | 4FA | 0.9144 |
148 | AL0 | 0.9144 |
149 | CFI | 0.9140 |
150 | PRA | 0.9139 |
151 | UYA | 0.9136 |
152 | UNU | 0.9135 |
153 | DAS | 0.9134 |
154 | 2PC | 0.9133 |
155 | SRT | 0.9133 |
156 | SS1 | 0.9132 |
157 | PEP | 0.9129 |
158 | QMP | 0.9128 |
159 | ABU | 0.9128 |
160 | BHO | 0.9126 |
161 | QSC | 0.9123 |
162 | IXW | 0.9123 |
163 | NIZ | 0.9123 |
164 | DYA | 0.9122 |
165 | AHB | 0.9121 |
166 | DYT | 0.9117 |
167 | ABN | 0.9115 |
168 | 3YP | 0.9115 |
169 | 1DV | 0.9111 |
170 | MZ0 | 0.9109 |
171 | ZBT | 0.9108 |
172 | TZL | 0.9108 |
173 | 3SL | 0.9106 |
174 | HCS | 0.9106 |
175 | 8OZ | 0.9104 |
176 | F9P | 0.9102 |
177 | 7A8 | 0.9100 |
178 | YRL | 0.9098 |
179 | 1P3 | 0.9096 |
180 | BHH | 0.9095 |
181 | ICB | 0.9094 |
182 | FB2 | 0.9094 |
183 | SEP | 0.9091 |
184 | 6NA | 0.9086 |
185 | IT2 | 0.9085 |
186 | PYJ | 0.9083 |
187 | 9X6 | 0.9082 |
188 | PGH | 0.9079 |
189 | LT1 | 0.9078 |
190 | ORN | 0.9074 |
191 | APY | 0.9073 |
192 | HCI | 0.9072 |
193 | K34 | 0.9069 |
194 | THE | 0.9067 |
195 | B24 | 0.9064 |
196 | X1S | 0.9064 |
197 | EHM | 0.9059 |
198 | IVA | 0.9058 |
199 | SYN | 0.9057 |
200 | PRS | 0.9056 |
201 | FOA | 0.9054 |
202 | PAH | 0.9050 |
203 | TIH | 0.9050 |
204 | 2AL | 0.9048 |
205 | JFJ | 0.9048 |
206 | CSS | 0.9046 |
207 | 3HG | 0.9045 |
208 | ACH | 0.9043 |
209 | 7N0 | 0.9041 |
210 | PY7 | 0.9040 |
211 | MXN | 0.9038 |
212 | PPY | 0.9036 |
213 | DHI | 0.9036 |
214 | SNE | 0.9032 |
215 | HSE | 0.9029 |
216 | R67 | 0.9027 |
217 | SMV | 0.9027 |
218 | FBM | 0.9026 |
219 | HYA | 0.9026 |
220 | PSE | 0.9020 |
221 | HTX | 0.9019 |
222 | 2EZ | 0.9018 |
223 | PEQ | 0.9018 |
224 | AC0 | 0.9018 |
225 | BP9 | 0.9017 |
226 | KMH | 0.9016 |
227 | MLM | 0.9014 |
228 | NLE | 0.9012 |
229 | TYL | 0.9009 |
230 | 9X7 | 0.9008 |
231 | HIO | 0.9006 |
232 | PHU | 0.9004 |
233 | ICF | 0.9003 |
234 | 1DJ | 0.9002 |
235 | 9CL | 0.9001 |
236 | K6H | 0.8998 |
237 | HY3 | 0.8996 |
238 | JYD | 0.8995 |
239 | FA1 | 0.8990 |
240 | 3LR | 0.8989 |
241 | 1SA | 0.8988 |
242 | 13P | 0.8986 |
243 | G3H | 0.8983 |
244 | OHG | 0.8982 |
245 | NM2 | 0.8982 |
246 | 9J3 | 0.8980 |
247 | SSN | 0.8975 |
248 | 0V5 | 0.8973 |
249 | MED | 0.8971 |
250 | 3PP | 0.8971 |
251 | AMC | 0.8970 |
252 | NBE | 0.8969 |
253 | NCT | 0.8968 |
254 | 273 | 0.8959 |
255 | G3P | 0.8958 |
256 | DHS | 0.8956 |
257 | NVA | 0.8955 |
258 | FAN | 0.8954 |
259 | HVQ | 0.8954 |
260 | BVC | 0.8954 |
261 | XYL | 0.8953 |
262 | LYS | 0.8952 |
263 | DE5 | 0.8951 |
264 | CP | 0.8946 |
265 | GLY ALA | 0.8940 |
266 | IHG | 0.8937 |
267 | 1GP | 0.8936 |
268 | TYE | 0.8934 |
269 | PHB | 0.8929 |
270 | HFA | 0.8929 |
271 | SS2 | 0.8926 |
272 | MNN | 0.8925 |
273 | 14J | 0.8925 |
274 | DAL DAL | 0.8924 |
275 | XUL | 0.8922 |
276 | 282 | 0.8922 |
277 | GAG | 0.8920 |
278 | LNO | 0.8919 |
279 | 1MR | 0.8917 |
280 | NTN | 0.8917 |
281 | GZ3 | 0.8916 |
282 | ZGL | 0.8915 |
283 | NPO | 0.8913 |
284 | KMT | 0.8911 |
285 | 2LP | 0.8911 |
286 | PRI | 0.8911 |
287 | MEQ | 0.8910 |
288 | PAB | 0.8908 |
289 | BSX | 0.8908 |
290 | UGC | 0.8907 |
291 | HBD | 0.8907 |
292 | 1LN | 0.8906 |
293 | S0H | 0.8906 |
294 | 3C4 | 0.8903 |
295 | 1SH | 0.8902 |
296 | BVG | 0.8901 |
297 | RBJ | 0.8901 |
298 | HBX | 0.8897 |
299 | HBA | 0.8896 |
300 | AAE | 0.8895 |
301 | DPR | 0.8894 |
302 | MET | 0.8892 |
303 | DHY | 0.8891 |
304 | XLS | 0.8881 |
305 | 261 | 0.8880 |
306 | 9YL | 0.8880 |
307 | 0OC | 0.8880 |
308 | 5AC | 0.8880 |
309 | VGL | 0.8878 |
310 | C21 | 0.8878 |
311 | LEA | 0.8878 |
312 | HHH | 0.8877 |
313 | P58 | 0.8876 |
314 | Q9Z | 0.8872 |
315 | GP9 | 0.8868 |
316 | GWM | 0.8865 |
317 | 152 | 0.8863 |
318 | 7VD | 0.8861 |
319 | DMG | 0.8859 |
320 | PPV | 0.8856 |
321 | 4CS | 0.8854 |
322 | FOC | 0.8853 |
323 | AT3 | 0.8852 |
324 | TSU | 0.8848 |
325 | FCR | 0.8847 |
326 | FPI | 0.8847 |
327 | FP1 | 0.8846 |
328 | PKU | 0.8844 |
329 | FSG | 0.8844 |
330 | 2TQ | 0.8841 |
331 | AC6 | 0.8837 |
332 | SD4 | 0.8836 |
333 | GVG | 0.8836 |
334 | NVI | 0.8835 |
335 | ILE | 0.8833 |
336 | PRY | 0.8832 |
337 | FBV | 0.8830 |
338 | JZ4 | 0.8829 |
339 | PAE | 0.8827 |
340 | ORO | 0.8827 |
341 | MZW | 0.8826 |
342 | Z82 | 0.8823 |
343 | 449 | 0.8820 |
344 | 1Y6 | 0.8815 |
345 | 3HL | 0.8814 |
346 | PYF | 0.8813 |
347 | 4NC | 0.8810 |
348 | 3S5 | 0.8808 |
349 | 3OC | 0.8808 |
350 | AC5 | 0.8804 |
351 | BUB | 0.8803 |
352 | A09 | 0.8801 |
353 | FBA | 0.8800 |
354 | GOJ | 0.8796 |
355 | XCZ | 0.8795 |
356 | DCL | 0.8792 |
357 | OPE | 0.8792 |
358 | 4JL | 0.8790 |
359 | HDH | 0.8789 |
360 | PBZ | 0.8789 |
361 | 4PN | 0.8788 |
362 | PIS | 0.8787 |
363 | SC2 | 0.8786 |
364 | 51R | 0.8785 |
365 | 4LR | 0.8784 |
366 | FB1 | 0.8784 |
367 | MRY | 0.8782 |
368 | DOR | 0.8781 |
369 | SAN | 0.8780 |
370 | DPN | 0.8779 |
371 | APG | 0.8778 |
372 | LDP | 0.8776 |
373 | LFC | 0.8776 |
374 | PLU | 0.8775 |
375 | AOT | 0.8773 |
376 | MTL | 0.8772 |
377 | FQI | 0.8772 |
378 | MPD | 0.8771 |
379 | SOR | 0.8770 |
380 | 264 | 0.8770 |
381 | 069 | 0.8767 |
382 | R2B | 0.8767 |
383 | TP5 | 0.8767 |
384 | Q03 | 0.8762 |
385 | 4VP | 0.8762 |
386 | 4P5 | 0.8758 |
387 | EDG | 0.8757 |
388 | XM0 | 0.8757 |
389 | 2CL | 0.8756 |
390 | 717 | 0.8755 |
391 | JAB | 0.8745 |
392 | 3V4 | 0.8743 |
393 | P2D | 0.8742 |
394 | RSF | 0.8741 |
395 | LLQ | 0.8737 |
396 | 3NT | 0.8737 |
397 | C2B | 0.8728 |
398 | 263 | 0.8728 |
399 | ASC | 0.8726 |
400 | 53C | 0.8724 |
401 | GAB | 0.8723 |
402 | ABV | 0.8722 |
403 | 1AB | 0.8722 |
404 | TB6 | 0.8716 |
405 | 1WD | 0.8711 |
406 | 3HB | 0.8708 |
407 | 265 | 0.8708 |
408 | 42J | 0.8707 |
409 | KOJ | 0.8706 |
410 | J9T | 0.8703 |
411 | GYE | 0.8702 |
412 | 60P | 0.8702 |
413 | BZX | 0.8698 |
414 | PC | 0.8698 |
415 | GLO | 0.8697 |
416 | 4MA | 0.8696 |
417 | MLE | 0.8695 |
418 | 2PG | 0.8688 |
419 | SAL | 0.8688 |
420 | SHA | 0.8682 |
421 | M45 | 0.8677 |
422 | C2A | 0.8676 |
423 | JKE | 0.8675 |
424 | 269 | 0.8673 |
425 | 2PN | 0.8669 |
426 | BNL | 0.8669 |
427 | OXQ | 0.8663 |
428 | H8N | 0.8663 |
429 | T9G | 0.8663 |
430 | GBD | 0.8661 |
431 | SAT | 0.8660 |
432 | 7MU | 0.8658 |
433 | 8K2 | 0.8658 |
434 | HL4 | 0.8654 |
435 | MSE | 0.8653 |
436 | BE2 | 0.8645 |
437 | DTL | 0.8645 |
438 | PCT | 0.8642 |
439 | WOT | 0.8640 |
440 | CYX | 0.8628 |
441 | IMR | 0.8625 |
442 | DHB | 0.8624 |
443 | AMH | 0.8623 |
444 | R1X | 0.8622 |
445 | RIB | 0.8622 |
446 | INO | 0.8620 |
447 | 278 | 0.8618 |
448 | FBS | 0.8609 |
449 | KIV | 0.8608 |
450 | ALO | 0.8607 |
451 | XIY | 0.8598 |
452 | XX2 | 0.8598 |
453 | KVV | 0.8598 |
454 | JZ1 | 0.8597 |
455 | WCE | 0.8591 |
456 | XRG | 0.8591 |
457 | FBW | 0.8590 |
458 | 3U4 | 0.8581 |
459 | AAS | 0.8579 |
460 | 9RH | 0.8575 |
461 | 4J8 | 0.8574 |
462 | ISA | 0.8565 |
463 | 8EZ | 0.8564 |
464 | PAF | 0.8558 |
465 | JZ3 | 0.8556 |
466 | QUS | 0.8552 |
467 | HHA | 0.8551 |
468 | R8A | 0.8541 |
469 | P9P | 0.8535 |
470 | X0V | 0.8520 |
471 | PUT | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 2g3f.bio2) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2g3f.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2g3f.bio3) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2g3f.bio3) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |