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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 1 families. | |||||
1 | 1UK8 | - | LEA | C5 H10 O2 | CCCCC(=O)O |
2 | 1UK6 | - | PPI | C3 H6 O2 | CCC(=O)O |
3 | 1UKA | - | SMB | C5 H10 O2 | CC[C@H](C).... |
4 | 1UK9 | - | IVA | C5 H10 O2 | CC(C)CC(=O.... |
5 | 1IUP | Ki = 2.9 mM | ALQ | C4 H8 O2 | CC(C)C(=O).... |
6 | 1UK7 | - | BUA | C4 H8 O2 | CCCC(=O)O |
7 | 1UKB | Ki = 0.65 mM | BEZ | C7 H6 O2 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4LXI | - | 22J | C12 H8 F2 O4 | c1ccc(c(c1.... |
2 | 4LYE | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
3 | 4LXH | - | C1E | C12 H9 Cl O4 | c1ccc(cc1).... |
4 | 2WUE | - | KEK | C15 H14 Cl O4 | C[C@H](C=C.... |
5 | 5JZS | ic50 = 0.54 mM | FGZ | C7 H4 Cl2 O3 | c1c(cc(c(c.... |
6 | 2WUF | Kd = 51 uM | KEM | C19 H25 O6 | C[C@H](C=C.... |
7 | 2WUG | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
8 | 5JZB | ic50 = 0.41 mM | 6OT | C6 H5 Cl2 N O2 S | c1c(cc(cc1.... |
9 | 3V1M | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
10 | 3V1K | - | MLA | C3 H4 O4 | C(C(=O)O)C.... |
11 | 2PUH | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
12 | 2PUJ | - | HPZ | C12 H10 O4 | c1ccc(cc1).... |
13 | 2RHW | - | C0E | C12 H8 F2 O4 | c1cc(ccc1C.... |
14 | 2RHT | - | C1E | C12 H9 Cl O4 | c1ccc(cc1).... |
15 | 3V1N | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
16 | 1UK8 | - | LEA | C5 H10 O2 | CCCCC(=O)O |
17 | 1UK6 | - | PPI | C3 H6 O2 | CCC(=O)O |
18 | 1UKA | - | SMB | C5 H10 O2 | CC[C@H](C).... |
19 | 1UK9 | - | IVA | C5 H10 O2 | CC(C)CC(=O.... |
20 | 1IUP | Ki = 2.9 mM | ALQ | C4 H8 O2 | CC(C)C(=O).... |
21 | 1UK7 | - | BUA | C4 H8 O2 | CCCC(=O)O |
22 | 1UKB | Ki = 0.65 mM | BEZ | C7 H6 O2 | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DE2 | 1.0000 |
2 | CYS | 1.0000 |
3 | SER | 1.0000 |
4 | 2KT | 1.0000 |
5 | KG7 | 1.0000 |
6 | ABA | 0.9991 |
7 | DGY | 0.9920 |
8 | DXX | 0.9918 |
9 | 3PY | 0.9913 |
10 | HUI | 0.9889 |
11 | 2RA | 0.9834 |
12 | HIU | 0.9829 |
13 | DSN | 0.9827 |
14 | DBB | 0.9757 |
15 | 2OP | 0.9751 |
16 | ALA | 0.9699 |
17 | C2N | 0.9696 |
18 | LAC | 0.9687 |
19 | 1AC | 0.9661 |
20 | OXL | 0.9649 |
21 | ITU | 0.9643 |
22 | THR | 0.9641 |
23 | A3B | 0.9640 |
24 | IPH | 0.9625 |
25 | BAL | 0.9612 |
26 | MB3 | 0.9612 |
27 | OXM | 0.9605 |
28 | BUA | 0.9605 |
29 | KSW | 0.9605 |
30 | SSN | 0.9597 |
31 | 03W | 0.9596 |
32 | DTL | 0.9590 |
33 | ASP | 0.9582 |
34 | OXD | 0.9577 |
35 | PYR | 0.9571 |
36 | DAL | 0.9557 |
37 | NAK | 0.9555 |
38 | MRY | 0.9552 |
39 | BUB | 0.9550 |
40 | HBR | 0.9549 |
41 | 23W | 0.9544 |
42 | DCY | 0.9525 |
43 | CEJ | 0.9520 |
44 | PYM | 0.9516 |
45 | ALO | 0.9515 |
46 | SYN | 0.9515 |
47 | BAQ | 0.9512 |
48 | NVI | 0.9510 |
49 | AKB | 0.9509 |
50 | GOL | 0.9500 |
51 | 2IM | 0.9499 |
52 | VAL | 0.9494 |
53 | MMZ | 0.9490 |
54 | CXL | 0.9489 |
55 | HCS | 0.9488 |
56 | HSE | 0.9486 |
57 | TAY | 0.9480 |
58 | CYH | 0.9476 |
59 | TF4 | 0.9476 |
60 | GXV | 0.9476 |
61 | BUO | 0.9469 |
62 | DAB | 0.9467 |
63 | ATQ | 0.9459 |
64 | NVA | 0.9445 |
65 | FW5 | 0.9444 |
66 | MLA | 0.9434 |
67 | BAE | 0.9432 |
68 | PPF | 0.9431 |
69 | BMD | 0.9430 |
70 | BVC | 0.9429 |
71 | HAI | 0.9427 |
72 | 2HA | 0.9427 |
73 | MLI | 0.9426 |
74 | ABN | 0.9424 |
75 | 280 | 0.9423 |
76 | LER | 0.9421 |
77 | MAK | 0.9419 |
78 | KIV | 0.9416 |
79 | 192 | 0.9408 |
80 | 3OH | 0.9408 |
81 | 3ZQ | 0.9408 |
82 | MZ0 | 0.9407 |
83 | A2Q | 0.9405 |
84 | 282 | 0.9402 |
85 | SAR | 0.9401 |
86 | NIS | 0.9397 |
87 | GBL | 0.9394 |
88 | AMC | 0.9393 |
89 | HVQ | 0.9391 |
90 | CHT | 0.9390 |
91 | BUQ | 0.9386 |
92 | 3GR | 0.9386 |
93 | HPY | 0.9379 |
94 | PRI | 0.9373 |
95 | AOA | 0.9367 |
96 | C5J | 0.9367 |
97 | BU4 | 0.9364 |
98 | 7EX | 0.9364 |
99 | MTG | 0.9363 |
100 | 40O | 0.9360 |
101 | DMG | 0.9356 |
102 | URA | 0.9355 |
103 | FPI | 0.9351 |
104 | 9X7 | 0.9348 |
105 | 6SP | 0.9342 |
106 | HBS | 0.9342 |
107 | ABU | 0.9334 |
108 | 26D | 0.9334 |
109 | 3HL | 0.9327 |
110 | 93B | 0.9323 |
111 | V1L | 0.9322 |
112 | HGY | 0.9322 |
113 | SIN | 0.9314 |
114 | 9YL | 0.9311 |
115 | L60 | 0.9311 |
116 | BVG | 0.9309 |
117 | HSL | 0.9308 |
118 | ICN | 0.9308 |
119 | 1CB | 0.9307 |
120 | ODV | 0.9303 |
121 | HGQ | 0.9299 |
122 | CRS | 0.9292 |
123 | HDA | 0.9288 |
124 | 278 | 0.9280 |
125 | BTL | 0.9280 |
126 | 4AX | 0.9277 |
127 | DCD | 0.9274 |
128 | DZZ | 0.9270 |
129 | 1DU | 0.9269 |
130 | EGD | 0.9266 |
131 | SLP | 0.9258 |
132 | 2PC | 0.9256 |
133 | MEU | 0.9255 |
134 | MBN | 0.9254 |
135 | DTU | 0.9254 |
136 | HZP | 0.9251 |
137 | NBE | 0.9246 |
138 | IDH | 0.9245 |
139 | GXE | 0.9241 |
140 | MAE | 0.9237 |
141 | 3HR | 0.9235 |
142 | H3M | 0.9233 |
143 | 285 | 0.9226 |
144 | TTO | 0.9226 |
145 | APY | 0.9216 |
146 | PYJ | 0.9213 |
147 | D2P | 0.9213 |
148 | 69O | 0.9213 |
149 | 4JU | 0.9212 |
150 | DTT | 0.9210 |
151 | AC5 | 0.9210 |
152 | E60 | 0.9206 |
153 | 3AP | 0.9205 |
154 | 2HE | 0.9205 |
155 | P2D | 0.9203 |
156 | WOT | 0.9203 |
157 | GOA | 0.9202 |
158 | TFB | 0.9201 |
159 | 2AP | 0.9196 |
160 | XPO | 0.9194 |
161 | 4AP | 0.9190 |
162 | LEA | 0.9189 |
163 | 4DX | 0.9189 |
164 | AAE | 0.9185 |
165 | HVK | 0.9184 |
166 | ECE | 0.9183 |
167 | HRZ | 0.9179 |
168 | 2MH | 0.9176 |
169 | OHG | 0.9176 |
170 | CNH | 0.9175 |
171 | HV2 | 0.9173 |
172 | CSS | 0.9173 |
173 | LGA | 0.9169 |
174 | DTI | 0.9166 |
175 | 284 | 0.9165 |
176 | IHG | 0.9164 |
177 | HHN | 0.9160 |
178 | ETF | 0.9160 |
179 | FJO | 0.9160 |
180 | 9PO | 0.9147 |
181 | COM | 0.9146 |
182 | PRO | 0.9143 |
183 | ASN | 0.9141 |
184 | 8CL | 0.9139 |
185 | HSW | 0.9134 |
186 | F3V | 0.9134 |
187 | 23B | 0.9132 |
188 | 2EZ | 0.9129 |
189 | 9TY | 0.9124 |
190 | R2B | 0.9122 |
191 | R1X | 0.9122 |
192 | PUT | 0.9122 |
193 | XAP | 0.9121 |
194 | DUC | 0.9118 |
195 | FAH | 0.9116 |
196 | TB0 | 0.9111 |
197 | 1SP | 0.9108 |
198 | HAE | 0.9107 |
199 | 51F | 0.9101 |
200 | HYN | 0.9097 |
201 | CRN | 0.9097 |
202 | TAU | 0.9096 |
203 | PYZ | 0.9096 |
204 | 24T | 0.9094 |
205 | OAA | 0.9091 |
206 | 3ZS | 0.9087 |
207 | ETM | 0.9084 |
208 | EDG | 0.9083 |
209 | TAN | 0.9079 |
210 | AMT | 0.9078 |
211 | PAE | 0.9077 |
212 | IMR | 0.9073 |
213 | WTZ | 0.9068 |
214 | MSF | 0.9068 |
215 | PRS | 0.9068 |
216 | ISU | 0.9068 |
217 | 25T | 0.9065 |
218 | 4MZ | 0.9060 |
219 | GLY | 0.9057 |
220 | BYZ | 0.9057 |
221 | EFS | 0.9051 |
222 | 9CL | 0.9051 |
223 | HLT | 0.9050 |
224 | DAS | 0.9049 |
225 | LMR | 0.9048 |
226 | MLM | 0.9048 |
227 | VSO | 0.9046 |
228 | 3BB | 0.9045 |
229 | 5MP | 0.9040 |
230 | 5Y9 | 0.9040 |
231 | HSM | 0.9038 |
232 | ILE | 0.9034 |
233 | 3MT | 0.9034 |
234 | 5KX | 0.9034 |
235 | TB6 | 0.9033 |
236 | NIE | 0.9031 |
237 | 3TR | 0.9029 |
238 | CP | 0.9028 |
239 | POA | 0.9020 |
240 | ES3 | 0.9019 |
241 | QFH | 0.9018 |
242 | 1AB | 0.9016 |
243 | SGL | 0.9015 |
244 | JZ6 | 0.9015 |
245 | GAG | 0.9012 |
246 | HY3 | 0.9011 |
247 | RCO | 0.9009 |
248 | MMU | 0.9007 |
249 | 2A1 | 0.9003 |
250 | THE | 0.9003 |
251 | 273 | 0.9003 |
252 | R3W | 0.8998 |
253 | RSF | 0.8998 |
254 | IQ0 | 0.8995 |
255 | ICC | 0.8992 |
256 | 1MZ | 0.8992 |
257 | YHO | 0.8988 |
258 | LG3 | 0.8986 |
259 | FUM | 0.8983 |
260 | 2MZ | 0.8981 |
261 | MLT | 0.8980 |
262 | GLV | 0.8975 |
263 | CYT | 0.8974 |
264 | ITN | 0.8970 |
265 | FLA | 0.8969 |
266 | 3CH | 0.8964 |
267 | BXO | 0.8963 |
268 | FCN | 0.8960 |
269 | TZZ | 0.8959 |
270 | HOW | 0.8958 |
271 | BVF | 0.8950 |
272 | VAH | 0.8948 |
273 | CIZ | 0.8942 |
274 | F50 | 0.8940 |
275 | LG5 | 0.8939 |
276 | XIX | 0.8937 |
277 | MR3 | 0.8937 |
278 | B3R | 0.8929 |
279 | COI | 0.8929 |
280 | HHQ | 0.8926 |
281 | 2AI | 0.8925 |
282 | DMI | 0.8922 |
283 | 9A4 | 0.8922 |
284 | 2DR | 0.8918 |
285 | NCM | 0.8915 |
286 | P7I | 0.8915 |
287 | DPR | 0.8912 |
288 | AHR | 0.8909 |
289 | 8FH | 0.8908 |
290 | MMQ | 0.8901 |
291 | 60P | 0.8900 |
292 | HEW | 0.8899 |
293 | AKR | 0.8895 |
294 | 2A3 | 0.8894 |
295 | CIG | 0.8892 |
296 | T2C | 0.8892 |
297 | 8GF | 0.8891 |
298 | 4H2 | 0.8889 |
299 | BRP | 0.8887 |
300 | RIB | 0.8877 |
301 | 4HA | 0.8876 |
302 | HYP | 0.8873 |
303 | 61G | 0.8872 |
304 | CMS | 0.8872 |
305 | LDU | 0.8872 |
306 | M3T | 0.8871 |
307 | MET | 0.8868 |
308 | IOM | 0.8863 |
309 | HVB | 0.8861 |
310 | 8X3 | 0.8859 |
311 | TAR | 0.8857 |
312 | DCL | 0.8857 |
313 | NXA | 0.8848 |
314 | TSZ | 0.8847 |
315 | LEU | 0.8841 |
316 | O7U | 0.8829 |
317 | H95 | 0.8829 |
318 | PCA | 0.8827 |
319 | 9SB | 0.8826 |
320 | IPU | 0.8824 |
321 | 3CL | 0.8820 |
322 | NMG | 0.8817 |
323 | OXQ | 0.8802 |
324 | TEO | 0.8801 |
325 | 4SD | 0.8800 |
326 | YCP | 0.8800 |
327 | PXO | 0.8796 |
328 | 40E | 0.8794 |
329 | HX2 | 0.8791 |
330 | GBD | 0.8791 |
331 | JYD | 0.8789 |
332 | 2RH | 0.8789 |
333 | 98J | 0.8786 |
334 | 4MV | 0.8779 |
335 | PE9 | 0.8773 |
336 | NBN | 0.8772 |
337 | AGU | 0.8770 |
338 | ETX | 0.8769 |
339 | VX | 0.8757 |
340 | GG6 | 0.8756 |
341 | 1BP | 0.8753 |
342 | FUB | 0.8743 |
343 | MGX | 0.8741 |
344 | NMU | 0.8729 |
345 | RP7 | 0.8725 |
346 | ROR | 0.8718 |
347 | NHY | 0.8712 |
348 | 3SY | 0.8708 |
349 | OPE | 0.8702 |
350 | CP2 | 0.8702 |
351 | AML | 0.8687 |
352 | KMT | 0.8680 |
353 | SAT | 0.8678 |
354 | PBE | 0.8676 |
355 | AZF | 0.8674 |
356 | ICF | 0.8674 |
357 | 13D | 0.8673 |
358 | PAF | 0.8670 |
359 | XLS | 0.8665 |
360 | MSE | 0.8663 |
361 | RUU | 0.8662 |
362 | BBU | 0.8659 |
363 | S0H | 0.8656 |
364 | 2CO | 0.8639 |
365 | XUL | 0.8627 |
366 | ATO | 0.8626 |
367 | UY7 | 0.8622 |
368 | UYA | 0.8619 |
369 | DPF | 0.8612 |
370 | 32O | 0.8610 |
371 | XBT | 0.8600 |
372 | MPD | 0.8593 |
373 | H76 | 0.8593 |
374 | TCV | 0.8590 |
375 | ORN | 0.8587 |
This union binding pocket(no: 1) in the query (biounit: 1iup.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1iup.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1iup.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1iup.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1iup.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1iup.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |