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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 1331 families. | |||||
1 | 3KIV | Kd = 20 uM | ACA | C6 H13 N O2 | C(CCC(=O)O.... |
2 | 2PK4 | - | ACA | C6 H13 N O2 | C(CCC(=O)O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3KIV | Kd = 20 uM | ACA | C6 H13 N O2 | C(CCC(=O)O.... |
2 | 2PK4 | - | ACA | C6 H13 N O2 | C(CCC(=O)O.... |
3 | 1CEA | Kd ~ 11 uM | ACA | C6 H13 N O2 | C(CCC(=O)O.... |
4 | 1CEB | Kd ~ 1 uM | AMH | C8 H15 N O2 | C1CC(CCC1C.... |
5 | 4CIK | - | XO3 | C15 H18 N2 O2 | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AG2 | 0.9946 |
2 | N6C | 0.9740 |
3 | HPN | 0.9733 |
4 | SHV | 0.9726 |
5 | OCA | 0.9646 |
6 | MHN | 0.9638 |
7 | 6NA | 0.9590 |
8 | LYS | 0.9577 |
9 | GUA | 0.9530 |
10 | 16D | 0.9520 |
11 | MLZ | 0.9494 |
12 | PG0 | 0.9486 |
13 | MET | 0.9485 |
14 | GLU | 0.9474 |
15 | ONH | 0.9470 |
16 | OCT | 0.9466 |
17 | ORN | 0.9456 |
18 | 650 | 0.9451 |
19 | DLY | 0.9420 |
20 | AE3 | 0.9415 |
21 | BHH | 0.9414 |
22 | AKG | 0.9411 |
23 | HTX | 0.9403 |
24 | HE4 | 0.9396 |
25 | OC9 | 0.9389 |
26 | OEG | 0.9378 |
27 | 9J3 | 0.9372 |
28 | BHL | 0.9366 |
29 | BHL BHL | 0.9366 |
30 | 6XA | 0.9364 |
31 | 3OL | 0.9359 |
32 | 5XA | 0.9359 |
33 | NF3 | 0.9355 |
34 | GOJ | 0.9353 |
35 | 0L1 | 0.9353 |
36 | OGA | 0.9346 |
37 | GLN | 0.9336 |
38 | 7BC | 0.9330 |
39 | 3OM | 0.9315 |
40 | OYA | 0.9315 |
41 | CCU | 0.9311 |
42 | 258 | 0.9304 |
43 | URP | 0.9301 |
44 | UN1 | 0.9295 |
45 | HSO | 0.9295 |
46 | S8V | 0.9291 |
47 | RJY | 0.9290 |
48 | GLY GLY | 0.9283 |
49 | NLE | 0.9282 |
50 | DGL | 0.9271 |
51 | NSD | 0.9266 |
52 | 0VT | 0.9253 |
53 | B3M | 0.9250 |
54 | KMT | 0.9247 |
55 | S2G | 0.9235 |
56 | 266 | 0.9232 |
57 | 2HG | 0.9230 |
58 | DGN | 0.9223 |
59 | NTU | 0.9217 |
60 | OOG | 0.9215 |
61 | SPD | 0.9214 |
62 | GGL | 0.9214 |
63 | VKC | 0.9211 |
64 | IXW | 0.9209 |
65 | GPJ | 0.9200 |
66 | 3YP | 0.9196 |
67 | GPF | 0.9191 |
68 | MED | 0.9185 |
69 | HSE | 0.9184 |
70 | HC4 | 0.9183 |
71 | 98J | 0.9178 |
72 | LMR | 0.9175 |
73 | AHN | 0.9172 |
74 | 49F | 0.9170 |
75 | KMH | 0.9169 |
76 | 2CO | 0.9168 |
77 | BNF | 0.9168 |
78 | DQY | 0.9162 |
79 | URO | 0.9162 |
80 | 268 | 0.9162 |
81 | ENW | 0.9157 |
82 | ONL | 0.9157 |
83 | HP6 | 0.9147 |
84 | 1GP | 0.9144 |
85 | 2IT | 0.9138 |
86 | LNO | 0.9134 |
87 | DHI | 0.9133 |
88 | ASP | 0.9133 |
89 | G3P | 0.9131 |
90 | 64Z | 0.9130 |
91 | OKG | 0.9128 |
92 | DZA | 0.9122 |
93 | 1CO | 0.9117 |
94 | SKJ | 0.9117 |
95 | 4SD | 0.9115 |
96 | GVA | 0.9114 |
97 | 13P | 0.9113 |
98 | HIS | 0.9112 |
99 | CCE | 0.9111 |
100 | 7UC | 0.9110 |
101 | 9X7 | 0.9108 |
102 | AEF | 0.9108 |
103 | 1SH | 0.9104 |
104 | LYN | 0.9104 |
105 | HE2 | 0.9101 |
106 | MSE | 0.9101 |
107 | HL5 | 0.9099 |
108 | OAA | 0.9099 |
109 | 4LR | 0.9096 |
110 | 9YT | 0.9096 |
111 | 6JN | 0.9095 |
112 | SSB | 0.9094 |
113 | RBL | 0.9091 |
114 | EOU | 0.9088 |
115 | COI | 0.9085 |
116 | 264 | 0.9084 |
117 | 3HG | 0.9084 |
118 | DE5 | 0.9081 |
119 | TEG | 0.9080 |
120 | PEA | 0.9076 |
121 | AT3 | 0.9075 |
122 | SIN | 0.9074 |
123 | Q9Z | 0.9074 |
124 | PRA | 0.9073 |
125 | NYL | 0.9070 |
126 | M1T | 0.9069 |
127 | 3S5 | 0.9068 |
128 | CYX | 0.9066 |
129 | LUQ | 0.9066 |
130 | 9X6 | 0.9058 |
131 | XLS | 0.9058 |
132 | ODI | 0.9054 |
133 | TIU | 0.9052 |
134 | 5XC | 0.9046 |
135 | 3PG | 0.9043 |
136 | HSM | 0.9042 |
137 | G3H | 0.9040 |
138 | SLZ | 0.9038 |
139 | SME | 0.9035 |
140 | ASN | 0.9032 |
141 | 1HS | 0.9032 |
142 | N9J | 0.9032 |
143 | DIR | 0.9028 |
144 | LEU | 0.9028 |
145 | 152 | 0.9023 |
146 | 4TB | 0.9021 |
147 | NLP | 0.9020 |
148 | NWH | 0.9020 |
149 | ENV | 0.9020 |
150 | PML | 0.9019 |
151 | HCS | 0.9018 |
152 | DHM | 0.9015 |
153 | YRL | 0.9015 |
154 | X1R | 0.9013 |
155 | 7XA | 0.9012 |
156 | IP8 | 0.9009 |
157 | ARG | 0.9009 |
158 | NMH | 0.9006 |
159 | PBN | 0.9000 |
160 | HGA | 0.8999 |
161 | GRQ | 0.8998 |
162 | HPL | 0.8996 |
163 | YIV | 0.8992 |
164 | MEQ | 0.8989 |
165 | CUW | 0.8988 |
166 | 3H2 | 0.8986 |
167 | BUB | 0.8985 |
168 | D10 | 0.8985 |
169 | 9ON | 0.8985 |
170 | O8Y | 0.8983 |
171 | TCA | 0.8983 |
172 | ZGL | 0.8983 |
173 | CHH | 0.8982 |
174 | XYL | 0.8982 |
175 | RTK | 0.8981 |
176 | MEV | 0.8981 |
177 | FOM | 0.8980 |
178 | FEH | 0.8980 |
179 | SYM | 0.8979 |
180 | 1SA | 0.8977 |
181 | 11C | 0.8976 |
182 | ANN | 0.8976 |
183 | CCD | 0.8975 |
184 | MAE | 0.8975 |
185 | OHJ | 0.8973 |
186 | AL0 | 0.8973 |
187 | I38 | 0.8971 |
188 | PJL | 0.8969 |
189 | R9M | 0.8963 |
190 | 8EW | 0.8962 |
191 | MLT | 0.8961 |
192 | FQI | 0.8960 |
193 | CXF | 0.8959 |
194 | N4B | 0.8959 |
195 | PGA | 0.8958 |
196 | 7OD | 0.8957 |
197 | SEP | 0.8956 |
198 | O45 | 0.8956 |
199 | MPJ | 0.8956 |
200 | FK8 | 0.8956 |
201 | 4NM | 0.8956 |
202 | PNZ | 0.8954 |
203 | M45 | 0.8949 |
204 | 2FT | 0.8943 |
205 | MHO | 0.8941 |
206 | N8C | 0.8941 |
207 | K6V | 0.8941 |
208 | 269 | 0.8940 |
209 | QFJ | 0.8939 |
210 | TIH | 0.8939 |
211 | MAH | 0.8937 |
212 | PGH | 0.8937 |
213 | HCI | 0.8932 |
214 | SD4 | 0.8932 |
215 | 8GL | 0.8932 |
216 | LTL | 0.8932 |
217 | NM2 | 0.8931 |
218 | ISZ | 0.8929 |
219 | HY1 | 0.8928 |
220 | RB5 | 0.8928 |
221 | PC | 0.8925 |
222 | BHO | 0.8925 |
223 | KPC | 0.8924 |
224 | 4MV | 0.8919 |
225 | HYA | 0.8919 |
226 | CFI | 0.8919 |
227 | TYL | 0.8915 |
228 | 69O | 0.8914 |
229 | 492 | 0.8912 |
230 | DIA | 0.8912 |
231 | 9GB | 0.8912 |
232 | 8SZ | 0.8909 |
233 | F9P | 0.8908 |
234 | MPH | 0.8907 |
235 | FUM | 0.8906 |
236 | AEG | 0.8904 |
237 | XIZ | 0.8903 |
238 | XUL | 0.8902 |
239 | MUC | 0.8902 |
240 | FAN | 0.8901 |
241 | NIZ | 0.8896 |
242 | KNA | 0.8895 |
243 | LEA | 0.8891 |
244 | NPO | 0.8890 |
245 | PPY | 0.8890 |
246 | SSN | 0.8889 |
247 | ACH | 0.8885 |
248 | YPN | 0.8885 |
249 | HDH | 0.8882 |
250 | NM3 | 0.8880 |
251 | FBJ | 0.8879 |
252 | HPO | 0.8878 |
253 | 5XB | 0.8878 |
254 | XRG | 0.8873 |
255 | CLT | 0.8870 |
256 | 4BZ | 0.8868 |
257 | RUJ | 0.8866 |
258 | PKU | 0.8866 |
259 | DKA | 0.8865 |
260 | PO6 | 0.8865 |
261 | GVM | 0.8862 |
262 | LT1 | 0.8861 |
263 | OK7 | 0.8861 |
264 | AJ3 | 0.8861 |
265 | TZL | 0.8859 |
266 | PHB | 0.8858 |
267 | 259 | 0.8853 |
268 | H95 | 0.8853 |
269 | HG3 | 0.8850 |
270 | A8C | 0.8849 |
271 | MSL | 0.8849 |
272 | 173 | 0.8847 |
273 | 129 | 0.8845 |
274 | 1KA | 0.8844 |
275 | M3P | 0.8840 |
276 | 14J | 0.8838 |
277 | XBT | 0.8837 |
278 | MLY | 0.8831 |
279 | LDP | 0.8830 |
280 | HBU | 0.8828 |
281 | E5X | 0.8824 |
282 | PSE | 0.8818 |
283 | PBA | 0.8817 |
284 | DPF | 0.8817 |
285 | GP9 | 0.8805 |
286 | M4T | 0.8805 |
287 | PHE | 0.8803 |
288 | B40 | 0.8798 |
289 | GGB | 0.8793 |
290 | 2BG | 0.8789 |
291 | AMH | 0.8787 |
292 | I1E | 0.8785 |
293 | PG3 | 0.8784 |
294 | CXP | 0.8781 |
295 | OVM | 0.8781 |
296 | NSB | 0.8780 |
297 | DHR | 0.8779 |
298 | BZ3 | 0.8778 |
299 | SNO | 0.8775 |
300 | GLO | 0.8775 |
301 | SOL | 0.8773 |
302 | HL4 | 0.8770 |
303 | RNO | 0.8768 |
304 | DII | 0.8767 |
305 | DAR | 0.8765 |
306 | 54D | 0.8764 |
307 | HPV | 0.8764 |
308 | SHF | 0.8762 |
309 | 2FM | 0.8757 |
310 | DAL DAL | 0.8756 |
311 | MD0 | 0.8756 |
312 | KDG | 0.8752 |
313 | F4E | 0.8748 |
314 | CIR | 0.8748 |
315 | KPA | 0.8746 |
316 | IWT | 0.8742 |
317 | FXY | 0.8739 |
318 | PHU | 0.8737 |
319 | SSC | 0.8736 |
320 | DPN | 0.8736 |
321 | OSE | 0.8734 |
322 | PRO GLY | 0.8732 |
323 | QDK | 0.8726 |
324 | SOR | 0.8724 |
325 | ILO | 0.8723 |
326 | NVA | 0.8723 |
327 | ZBT | 0.8721 |
328 | 1L5 | 0.8719 |
329 | GLY ALA | 0.8717 |
330 | PAH | 0.8713 |
331 | BHU | 0.8712 |
332 | IVL | 0.8710 |
333 | E79 | 0.8710 |
334 | 3LR | 0.8709 |
335 | 5OB | 0.8708 |
336 | MZT | 0.8705 |
337 | 263 | 0.8704 |
338 | RNT | 0.8704 |
339 | 1M2 | 0.8699 |
340 | HMS | 0.8698 |
341 | E4P | 0.8697 |
342 | A5E | 0.8696 |
343 | 1H1 | 0.8695 |
344 | 1X4 | 0.8695 |
345 | NNH | 0.8695 |
346 | PH3 | 0.8692 |
347 | RAT | 0.8689 |
348 | MF3 | 0.8689 |
349 | PPR | 0.8685 |
350 | 3MB | 0.8684 |
351 | OW4 | 0.8682 |
352 | ALA ALA | 0.8682 |
353 | TPA | 0.8681 |
354 | 6NT | 0.8680 |
355 | 3SS | 0.8674 |
356 | J0Z | 0.8674 |
357 | CSS | 0.8671 |
358 | FUD | 0.8670 |
359 | GLY GLY GLY | 0.8669 |
360 | JX7 | 0.8667 |
361 | 3NY | 0.8667 |
362 | B3U | 0.8661 |
363 | LVD | 0.8658 |
364 | FOC | 0.8657 |
365 | JZ7 | 0.8651 |
366 | 4TP | 0.8651 |
367 | 1BN | 0.8648 |
368 | 2ZM | 0.8647 |
369 | PSJ | 0.8641 |
370 | M44 | 0.8640 |
371 | 2JJ | 0.8637 |
372 | URS | 0.8636 |
373 | HNE | 0.8636 |
374 | 1F1 | 0.8635 |
375 | DHS | 0.8630 |
376 | DPJ | 0.8626 |
377 | 4LW | 0.8625 |
378 | UGC | 0.8625 |
379 | K34 | 0.8623 |
380 | 6NI | 0.8621 |
381 | OVP | 0.8620 |
382 | 2RH | 0.8616 |
383 | NFA | 0.8614 |
384 | MES | 0.8614 |
385 | 4MA | 0.8607 |
386 | 2D8 | 0.8605 |
387 | 0NX | 0.8600 |
388 | JDN | 0.8600 |
389 | L22 | 0.8599 |
390 | I3E | 0.8598 |
391 | 41K | 0.8597 |
392 | BPN | 0.8597 |
393 | M6W | 0.8596 |
394 | 9YL | 0.8593 |
395 | KTA | 0.8591 |
396 | 4LV | 0.8590 |
397 | AZM | 0.8583 |
398 | AOT | 0.8581 |
399 | 5NI | 0.8572 |
400 | ABI | 0.8570 |
401 | 3QM | 0.8558 |
402 | 58X | 0.8556 |
403 | DXP | 0.8547 |
404 | 3A9 | 0.8545 |
405 | L14 | 0.8544 |
406 | 7VP | 0.8538 |
407 | R20 | 0.8522 |
408 | ALE | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 2pk4.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |