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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 277 families. | |||||
1 | 5WQK | Kd = 0.5 uM | 7NC | C17 H14 N2 O2 S | CC1=CC(=O).... |
2 | 5WQJ | Kd = 3 uM | 7N3 | C15 H12 N4 O3 S2 | c1ccc2c(c1.... |
3 | 4JGT | - | PYR | C3 H4 O3 | CC(=O)C(=O.... |
4 | 1DP2 | - | LPB | C8 H14 O2 S2 | C1CSS[C@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 5WQK | Kd = 0.5 uM | 7NC | C17 H14 N2 O2 S | CC1=CC(=O).... |
2 | 5WQJ | Kd = 3 uM | 7N3 | C15 H12 N4 O3 S2 | c1ccc2c(c1.... |
3 | 4JGT | - | PYR | C3 H4 O3 | CC(=O)C(=O.... |
4 | 1DP2 | - | LPB | C8 H14 O2 S2 | C1CSS[C@H].... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | OXM | 1.0000 |
2 | HBS | 1.0000 |
3 | HBR | 1.0000 |
4 | NAK | 1.0000 |
5 | ALQ | 1.0000 |
6 | DAL | 1.0000 |
7 | ALA | 1.0000 |
8 | NIS | 1.0000 |
9 | 2OP | 1.0000 |
10 | LAC | 1.0000 |
11 | PYM | 1.0000 |
12 | OXL | 1.0000 |
13 | BUO | 1.0000 |
14 | HGY | 1.0000 |
15 | 5Y9 | 1.0000 |
16 | TF4 | 0.9897 |
17 | THR | 0.9859 |
18 | BU4 | 0.9801 |
19 | DXX | 0.9793 |
20 | 39J | 0.9787 |
21 | MB3 | 0.9783 |
22 | DGY | 0.9781 |
23 | 03W | 0.9781 |
24 | 1AC | 0.9772 |
25 | AOA | 0.9760 |
26 | SER | 0.9754 |
27 | 3ZS | 0.9752 |
28 | BAL | 0.9734 |
29 | PPI | 0.9734 |
30 | 3OH | 0.9733 |
31 | HSL | 0.9723 |
32 | 3PY | 0.9721 |
33 | KSW | 0.9709 |
34 | DSN | 0.9707 |
35 | BMD | 0.9701 |
36 | FAH | 0.9700 |
37 | HIU | 0.9691 |
38 | NIE | 0.9688 |
39 | GLV | 0.9687 |
40 | HUI | 0.9681 |
41 | GLY | 0.9679 |
42 | J3K | 0.9679 |
43 | CYS | 0.9678 |
44 | DE2 | 0.9673 |
45 | 3TR | 0.9670 |
46 | KG7 | 0.9663 |
47 | 4AX | 0.9663 |
48 | A3B | 0.9661 |
49 | DBB | 0.9661 |
50 | 2RA | 0.9657 |
51 | 2A3 | 0.9652 |
52 | 2AI | 0.9651 |
53 | ALF | 0.9650 |
54 | 0PY | 0.9650 |
55 | DMI | 0.9642 |
56 | 3MT | 0.9641 |
57 | 6SP | 0.9637 |
58 | 1CB | 0.9637 |
59 | SAR | 0.9628 |
60 | GBL | 0.9626 |
61 | HOW | 0.9623 |
62 | AKR | 0.9623 |
63 | 2MZ | 0.9618 |
64 | AMT | 0.9618 |
65 | 1MZ | 0.9611 |
66 | 2A1 | 0.9611 |
67 | 7EX | 0.9610 |
68 | MMZ | 0.9609 |
69 | DCY | 0.9605 |
70 | MR3 | 0.9604 |
71 | GOA | 0.9603 |
72 | C2N | 0.9599 |
73 | 5MP | 0.9594 |
74 | B20 | 0.9593 |
75 | BAQ | 0.9591 |
76 | 4MZ | 0.9590 |
77 | HAE | 0.9589 |
78 | BUA | 0.9583 |
79 | BNZ | 0.9582 |
80 | P1R | 0.9581 |
81 | C5J | 0.9580 |
82 | GOL | 0.9579 |
83 | F3V | 0.9576 |
84 | PHZ | 0.9575 |
85 | NHY | 0.9574 |
86 | SMB | 0.9571 |
87 | ABA | 0.9571 |
88 | 61G | 0.9565 |
89 | HVB | 0.9565 |
90 | AGU | 0.9561 |
91 | BUQ | 0.9560 |
92 | R3W | 0.9548 |
93 | ATQ | 0.9548 |
94 | DTI | 0.9548 |
95 | 5KX | 0.9548 |
96 | 9A4 | 0.9544 |
97 | BUB | 0.9541 |
98 | 3CL | 0.9533 |
99 | MGX | 0.9532 |
100 | XAP | 0.9503 |
101 | PZO | 0.9499 |
102 | JZ6 | 0.9497 |
103 | MZY | 0.9492 |
104 | NMU | 0.9488 |
105 | TRI | 0.9486 |
106 | CYH | 0.9483 |
107 | CXL | 0.9483 |
108 | HAI | 0.9477 |
109 | BRP | 0.9473 |
110 | MLA | 0.9469 |
111 | IPH | 0.9456 |
112 | SLP | 0.9447 |
113 | HLT | 0.9445 |
114 | 3HR | 0.9444 |
115 | PPF | 0.9444 |
116 | TSZ | 0.9443 |
117 | 3GR | 0.9442 |
118 | HVK | 0.9439 |
119 | IMD | 0.9439 |
120 | HUH | 0.9433 |
121 | MLI | 0.9429 |
122 | BYZ | 0.9426 |
123 | MLM | 0.9425 |
124 | 3BB | 0.9425 |
125 | PYZ | 0.9424 |
126 | ATO | 0.9421 |
127 | ES3 | 0.9421 |
128 | LGA | 0.9419 |
129 | A2Q | 0.9419 |
130 | TAY | 0.9417 |
131 | DTL | 0.9416 |
132 | PXO | 0.9416 |
133 | 2AP | 0.9414 |
134 | EGD | 0.9408 |
135 | XIX | 0.9402 |
136 | MBN | 0.9400 |
137 | MTG | 0.9400 |
138 | 40O | 0.9400 |
139 | 1BP | 0.9399 |
140 | 3ZQ | 0.9392 |
141 | 3HL | 0.9391 |
142 | MEU | 0.9389 |
143 | DMG | 0.9389 |
144 | HYN | 0.9380 |
145 | BXA | 0.9372 |
146 | 9PO | 0.9367 |
147 | 3AP | 0.9364 |
148 | 4AP | 0.9363 |
149 | L60 | 0.9361 |
150 | HRZ | 0.9356 |
151 | V1L | 0.9352 |
152 | 2IM | 0.9352 |
153 | 23W | 0.9349 |
154 | 93B | 0.9344 |
155 | GXV | 0.9339 |
156 | 2HA | 0.9330 |
157 | WOT | 0.9318 |
158 | CP2 | 0.9308 |
159 | MZ0 | 0.9304 |
160 | 4XX | 0.9303 |
161 | IVA | 0.9290 |
162 | 8CL | 0.9288 |
163 | FP2 | 0.9285 |
164 | PIH | 0.9283 |
165 | MRY | 0.9282 |
166 | 2HP | 0.9280 |
167 | HHN | 0.9276 |
168 | JZ0 | 0.9272 |
169 | LER | 0.9271 |
170 | HV2 | 0.9270 |
171 | CAQ | 0.9263 |
172 | TTO | 0.9262 |
173 | 93Q | 0.9262 |
174 | ABU | 0.9262 |
175 | L89 | 0.9258 |
176 | GXE | 0.9257 |
177 | HGW | 0.9254 |
178 | 1AN | 0.9252 |
179 | J1Z | 0.9247 |
180 | ETF | 0.9247 |
181 | 76X | 0.9244 |
182 | TFB | 0.9244 |
183 | BXO | 0.9236 |
184 | 938 | 0.9232 |
185 | TCV | 0.9231 |
186 | 2AF | 0.9230 |
187 | IQ0 | 0.9227 |
188 | FW5 | 0.9225 |
189 | 4DX | 0.9222 |
190 | H3M | 0.9215 |
191 | 8LG | 0.9213 |
192 | 92Z | 0.9212 |
193 | OXE | 0.9204 |
194 | 24T | 0.9194 |
195 | PRI | 0.9190 |
196 | D2P | 0.9182 |
197 | TMT | 0.9179 |
198 | BEW | 0.9179 |
199 | MMU | 0.9177 |
200 | CEJ | 0.9176 |
201 | TMZ | 0.9175 |
202 | 285 | 0.9172 |
203 | 2CH | 0.9170 |
204 | P2D | 0.9167 |
205 | HTS | 0.9160 |
206 | CHT | 0.9157 |
207 | SSN | 0.9157 |
208 | ITU | 0.9146 |
209 | E60 | 0.9144 |
210 | NVI | 0.9142 |
211 | 8FH | 0.9138 |
212 | 8X3 | 0.9134 |
213 | 6X8 | 0.9131 |
214 | 192 | 0.9131 |
215 | 03S | 0.9122 |
216 | HSW | 0.9120 |
217 | BAE | 0.9118 |
218 | 25T | 0.9113 |
219 | TAU | 0.9111 |
220 | TB0 | 0.9109 |
221 | 2PC | 0.9106 |
222 | PRO | 0.9106 |
223 | FUS | 0.9099 |
224 | SGL | 0.9087 |
225 | YAN | 0.9086 |
226 | DCD | 0.9085 |
227 | 280 | 0.9081 |
228 | TBU | 0.9081 |
229 | 1SP | 0.9081 |
230 | FJO | 0.9078 |
231 | PRS | 0.9069 |
232 | ALO | 0.9064 |
233 | 1DH | 0.9062 |
234 | DTU | 0.9061 |
235 | TMO | 0.9056 |
236 | GB | 0.9055 |
237 | BVC | 0.9054 |
238 | DUC | 0.9053 |
239 | TAN | 0.9043 |
240 | 4JU | 0.9042 |
241 | HPY | 0.9040 |
242 | LG3 | 0.9037 |
243 | 278 | 0.9037 |
244 | ODV | 0.9032 |
245 | 25R | 0.9031 |
246 | URA | 0.9025 |
247 | ETM | 0.9022 |
248 | 2HE | 0.9019 |
249 | ICN | 0.9017 |
250 | DPR | 0.9008 |
251 | 8GF | 0.9006 |
252 | 284 | 0.9004 |
253 | CRS | 0.9004 |
254 | FOA | 0.9002 |
255 | AKB | 0.9001 |
256 | PCR | 0.8999 |
257 | POA | 0.8998 |
258 | T2C | 0.8998 |
259 | BF4 | 0.8997 |
260 | LG5 | 0.8996 |
261 | VAL | 0.8994 |
262 | PO4 | 0.8994 |
263 | FMS | 0.8991 |
264 | DTT | 0.8989 |
265 | MSF | 0.8988 |
266 | RP7 | 0.8988 |
267 | BVG | 0.8988 |
268 | TZC | 0.8984 |
269 | 26D | 0.8983 |
270 | HVQ | 0.8983 |
271 | 2EZ | 0.8981 |
272 | P7I | 0.8979 |
273 | PAE | 0.8977 |
274 | FCN | 0.8976 |
275 | TFS | 0.8973 |
276 | CYT | 0.8970 |
277 | JBN | 0.8963 |
278 | BVF | 0.8963 |
279 | DA1 | 0.8962 |
280 | LG4 | 0.8962 |
281 | PYC | 0.8958 |
282 | JAB | 0.8956 |
283 | HQE | 0.8954 |
284 | EDO | 0.8949 |
285 | 4JN | 0.8947 |
286 | 2MH | 0.8944 |
287 | TP5 | 0.8943 |
288 | RCO | 0.8941 |
289 | CNH | 0.8938 |
290 | FPO | 0.8936 |
291 | WO6 | 0.8934 |
292 | VSO | 0.8932 |
293 | 3CH | 0.8931 |
294 | 9X7 | 0.8931 |
295 | 2PA | 0.8930 |
296 | CIG | 0.8929 |
297 | MAK | 0.8922 |
298 | PUT | 0.8917 |
299 | FPN | 0.8903 |
300 | 4CH | 0.8897 |
301 | 1DU | 0.8896 |
302 | BML | 0.8895 |
303 | HEW | 0.8895 |
304 | ECE | 0.8893 |
305 | PLQ | 0.8892 |
306 | B3R | 0.8891 |
307 | IDH | 0.8890 |
308 | 1XX | 0.8890 |
309 | PXY | 0.8887 |
310 | HGQ | 0.8886 |
311 | RSF | 0.8886 |
312 | ISU | 0.8877 |
313 | 4HS | 0.8873 |
314 | BRJ | 0.8872 |
315 | 265 | 0.8862 |
316 | HHQ | 0.8862 |
317 | DAB | 0.8857 |
318 | 273 | 0.8857 |
319 | M3T | 0.8854 |
320 | SYN | 0.8849 |
321 | IOL | 0.8841 |
322 | 4H2 | 0.8839 |
323 | HCS | 0.8829 |
324 | NEQ | 0.8823 |
325 | C21 | 0.8819 |
326 | NCM | 0.8815 |
327 | HSE | 0.8814 |
328 | MMQ | 0.8813 |
329 | ART | 0.8805 |
330 | PEJ | 0.8805 |
331 | YHO | 0.8801 |
332 | CSS | 0.8790 |
333 | OSM | 0.8786 |
334 | NVA | 0.8784 |
335 | CP | 0.8779 |
336 | URF | 0.8769 |
337 | SMV | 0.8769 |
338 | ICC | 0.8766 |
339 | MTD | 0.8763 |
340 | 282 | 0.8757 |
341 | NOE | 0.8738 |
342 | 1MC | 0.8736 |
343 | ICP | 0.8735 |
344 | TDR | 0.8735 |
345 | DCL | 0.8728 |
346 | 3SY | 0.8728 |
347 | APY | 0.8722 |
348 | FPY | 0.8718 |
349 | 4HO | 0.8703 |
350 | ACT | 0.8702 |
351 | MWJ | 0.8697 |
352 | AMC | 0.8696 |
353 | XYD | 0.8696 |
354 | ABN | 0.8690 |
355 | 27Y | 0.8685 |
356 | A1U | 0.8684 |
357 | 1PT | 0.8683 |
358 | MWM | 0.8682 |
359 | 4CL | 0.8680 |
360 | 3MC | 0.8680 |
361 | HY3 | 0.8678 |
362 | 0CT | 0.8678 |
363 | TZZ | 0.8678 |
364 | 9XN | 0.8677 |
365 | MZG | 0.8675 |
366 | MCT | 0.8674 |
367 | 5MH | 0.8673 |
368 | BR9 | 0.8669 |
369 | 1AB | 0.8669 |
370 | GVH | 0.8667 |
371 | WBU | 0.8666 |
372 | JZ1 | 0.8657 |
373 | 0R1 | 0.8656 |
374 | JZ2 | 0.8655 |
375 | ACM | 0.8655 |
376 | 4JJ | 0.8651 |
377 | IHG | 0.8650 |
378 | 4JP | 0.8649 |
379 | BZI | 0.8649 |
380 | 1MR | 0.8648 |
381 | 5UC | 0.8646 |
382 | FFP | 0.8642 |
383 | IND | 0.8642 |
384 | R8A | 0.8639 |
385 | EDG | 0.8635 |
386 | 9CL | 0.8633 |
387 | PYJ | 0.8631 |
388 | NBE | 0.8626 |
389 | LZ1 | 0.8626 |
390 | BZF | 0.8625 |
391 | IUR | 0.8618 |
392 | JZ3 | 0.8618 |
393 | FLM | 0.8612 |
394 | 73M | 0.8600 |
395 | PY7 | 0.8599 |
396 | 3FA | 0.8595 |
397 | AXO | 0.8594 |
398 | MBD | 0.8583 |
399 | SIN | 0.8579 |
400 | SEY | 0.8576 |
401 | HBX | 0.8571 |
402 | AF3 | 0.8571 |
403 | PYG | 0.8569 |
This union binding pocket(no: 1) in the query (biounit: 4jgt.bio3) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4jgt.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4jgt.bio2) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |