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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 | 1JDX | - | NVA | C5 H11 N O2 | CCC[C@@H](.... |
2 | 9JDW | - | ABA | C4 H9 N O2 | CC[C@@H](C.... |
3 | 8JDW | - | ALA | C3 H7 N O2 | C[C@@H](C(.... |
4 | 6JDW | - | ABU | C4 H9 N O2 | C(CC(=O)O).... |
5 | 4JDW | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
6 | 7JDW | - | DAV | C5 H12 N O2 | C(CC[NH3+].... |
7 | 3JDW | Ki = 253 uM | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1JDX | - | NVA | C5 H11 N O2 | CCC[C@@H](.... |
2 | 9JDW | - | ABA | C4 H9 N O2 | CC[C@@H](C.... |
3 | 8JDW | - | ALA | C3 H7 N O2 | C[C@@H](C(.... |
4 | 6JDW | - | ABU | C4 H9 N O2 | C(CC(=O)O).... |
5 | 4JDW | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
6 | 7JDW | - | DAV | C5 H12 N O2 | C(CC[NH3+].... |
7 | 3JDW | Ki = 253 uM | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LEA | 1.0000 |
2 | A8C | 0.9990 |
3 | SSN | 0.9948 |
4 | 3SS | 0.9901 |
5 | BUB | 0.9846 |
6 | HSM | 0.9745 |
7 | BXO | 0.9729 |
8 | ITU | 0.9708 |
9 | FUM | 0.9700 |
10 | SIN | 0.9690 |
11 | MLI | 0.9686 |
12 | 1KA | 0.9668 |
13 | BMD | 0.9666 |
14 | BUA | 0.9663 |
15 | VKC | 0.9663 |
16 | 69O | 0.9650 |
17 | HSE | 0.9648 |
18 | 9X7 | 0.9646 |
19 | HE2 | 0.9638 |
20 | NMG | 0.9634 |
21 | DAB | 0.9632 |
22 | HX2 | 0.9615 |
23 | 4HA | 0.9613 |
24 | PUT | 0.9613 |
25 | DMG | 0.9599 |
26 | MLA | 0.9598 |
27 | PE9 | 0.9579 |
28 | IVA | 0.9576 |
29 | AML | 0.9563 |
30 | H95 | 0.9558 |
31 | SAR | 0.9556 |
32 | 6NA | 0.9550 |
33 | CYS | 0.9547 |
34 | MAE | 0.9546 |
35 | HTX | 0.9545 |
36 | NVA | 0.9545 |
37 | SLP | 0.9532 |
38 | 4MV | 0.9529 |
39 | BUQ | 0.9526 |
40 | XAP | 0.9522 |
41 | HCS | 0.9521 |
42 | ISU | 0.9521 |
43 | MSF | 0.9518 |
44 | MTG | 0.9500 |
45 | SHF | 0.9495 |
46 | BU4 | 0.9492 |
47 | 3PY | 0.9487 |
48 | YIV | 0.9486 |
49 | O8Y | 0.9473 |
50 | ETX | 0.9472 |
51 | 9YL | 0.9470 |
52 | P2D | 0.9470 |
53 | 7CL | 0.9462 |
54 | DQY | 0.9444 |
55 | 3OH | 0.9443 |
56 | CHT | 0.9427 |
57 | 3HL | 0.9426 |
58 | 5BR | 0.9426 |
59 | OPE | 0.9425 |
60 | SGL | 0.9424 |
61 | MLM | 0.9424 |
62 | 1DU | 0.9419 |
63 | AOA | 0.9418 |
64 | 3HR | 0.9414 |
65 | SER | 0.9404 |
66 | DXX | 0.9395 |
67 | 2RA | 0.9395 |
68 | KIV | 0.9394 |
69 | 2KT | 0.9392 |
70 | HP6 | 0.9388 |
71 | DSS | 0.9379 |
72 | 1SP | 0.9379 |
73 | NVI | 0.9377 |
74 | AAE | 0.9376 |
75 | FW5 | 0.9371 |
76 | PRS | 0.9359 |
77 | IPU | 0.9358 |
78 | HDA | 0.9356 |
79 | C5J | 0.9355 |
80 | A20 | 0.9347 |
81 | DSN | 0.9345 |
82 | 49F | 0.9335 |
83 | SMB | 0.9334 |
84 | DBB | 0.9330 |
85 | BP9 | 0.9328 |
86 | MZW | 0.9328 |
87 | IHG | 0.9320 |
88 | ORN | 0.9318 |
89 | PRI | 0.9314 |
90 | CSS | 0.9308 |
91 | MLT | 0.9306 |
92 | BVG | 0.9298 |
93 | LMR | 0.9298 |
94 | HVQ | 0.9295 |
95 | PRO | 0.9293 |
96 | 03W | 0.9293 |
97 | NBN | 0.9289 |
98 | A3B | 0.9288 |
99 | DE2 | 0.9287 |
100 | OHG | 0.9282 |
101 | PG0 | 0.9281 |
102 | 98J | 0.9279 |
103 | EGD | 0.9279 |
104 | COI | 0.9276 |
105 | OAA | 0.9275 |
106 | MZ0 | 0.9272 |
107 | DGY | 0.9269 |
108 | HIU | 0.9265 |
109 | GOL | 0.9264 |
110 | PYR | 0.9262 |
111 | 2RH | 0.9256 |
112 | KG7 | 0.9256 |
113 | DPR | 0.9255 |
114 | 3BB | 0.9252 |
115 | 40E | 0.9248 |
116 | 7WG | 0.9244 |
117 | ASN | 0.9239 |
118 | IQ0 | 0.9239 |
119 | 2MH | 0.9236 |
120 | ABA | 0.9235 |
121 | BVC | 0.9230 |
122 | CRN | 0.9228 |
123 | IOM | 0.9228 |
124 | UGC | 0.9223 |
125 | DAS | 0.9222 |
126 | 4JU | 0.9221 |
127 | FAN | 0.9221 |
128 | TP5 | 0.9220 |
129 | NLE | 0.9217 |
130 | AMC | 0.9214 |
131 | SMV | 0.9211 |
132 | POA | 0.9206 |
133 | VAL | 0.9205 |
134 | TZC | 0.9204 |
135 | 2HE | 0.9202 |
136 | 2PC | 0.9197 |
137 | ASP | 0.9195 |
138 | MRY | 0.9190 |
139 | DCL | 0.9189 |
140 | 3OM | 0.9188 |
141 | 8X3 | 0.9187 |
142 | CXF | 0.9186 |
143 | 2EZ | 0.9185 |
144 | PAE | 0.9184 |
145 | DYA | 0.9183 |
146 | OK7 | 0.9183 |
147 | ABN | 0.9179 |
148 | OEG | 0.9179 |
149 | TEO | 0.9179 |
150 | ITN | 0.9176 |
151 | TAU | 0.9174 |
152 | JBN | 0.9172 |
153 | MTD | 0.9168 |
154 | JZ7 | 0.9168 |
155 | DCY | 0.9168 |
156 | C2N | 0.9167 |
157 | PGA | 0.9167 |
158 | 51F | 0.9166 |
159 | SYN | 0.9165 |
160 | OKG | 0.9162 |
161 | BML | 0.9157 |
162 | ALO | 0.9156 |
163 | TFB | 0.9156 |
164 | BHH | 0.9154 |
165 | FOA | 0.9152 |
166 | GLY GLY | 0.9150 |
167 | MEU | 0.9148 |
168 | S0H | 0.9147 |
169 | HV2 | 0.9147 |
170 | VAH | 0.9147 |
171 | C21 | 0.9146 |
172 | 1MR | 0.9140 |
173 | 54D | 0.9139 |
174 | THR | 0.9138 |
175 | 5XA | 0.9137 |
176 | IXW | 0.9137 |
177 | PEA | 0.9132 |
178 | FJO | 0.9131 |
179 | COM | 0.9128 |
180 | IZC | 0.9128 |
181 | 192 | 0.9128 |
182 | GUA | 0.9125 |
183 | LEU | 0.9123 |
184 | ETM | 0.9123 |
185 | JZ5 | 0.9122 |
186 | HY1 | 0.9122 |
187 | B24 | 0.9122 |
188 | XBT | 0.9115 |
189 | KMT | 0.9112 |
190 | CP | 0.9110 |
191 | PYC | 0.9109 |
192 | THE | 0.9109 |
193 | 273 | 0.9108 |
194 | T2C | 0.9105 |
195 | 39J | 0.9104 |
196 | PY7 | 0.9100 |
197 | 2CO | 0.9089 |
198 | 3OL | 0.9089 |
199 | 23W | 0.9088 |
200 | PYF | 0.9087 |
201 | HBX | 0.9087 |
202 | 16D | 0.9086 |
203 | RSO | 0.9086 |
204 | 1SH | 0.9085 |
205 | HUI | 0.9084 |
206 | TZL | 0.9083 |
207 | 7VD | 0.9081 |
208 | ILE | 0.9077 |
209 | FPI | 0.9077 |
210 | HBA | 0.9076 |
211 | PEL | 0.9075 |
212 | 282 | 0.9074 |
213 | DTL | 0.9074 |
214 | 1GP | 0.9070 |
215 | PYJ | 0.9070 |
216 | MET | 0.9068 |
217 | LER | 0.9061 |
218 | GLY ALA | 0.9060 |
219 | 4CH | 0.9058 |
220 | OXL | 0.9053 |
221 | APY | 0.9051 |
222 | H8N | 0.9047 |
223 | AKB | 0.9047 |
224 | 2EH | 0.9044 |
225 | G3P | 0.9042 |
226 | 265 | 0.9041 |
227 | TZE | 0.9041 |
228 | FBJ | 0.9039 |
229 | NBE | 0.9038 |
230 | PCT | 0.9037 |
231 | 9A7 | 0.9035 |
232 | XRG | 0.9033 |
233 | URP | 0.9033 |
234 | JAB | 0.9032 |
235 | X1S | 0.9030 |
236 | 3CL | 0.9030 |
237 | UYA | 0.9023 |
238 | 9CL | 0.9022 |
239 | 2HA | 0.9021 |
240 | 1DH | 0.9019 |
241 | JYD | 0.9018 |
242 | 271 | 0.9017 |
243 | DTU | 0.9017 |
244 | TB6 | 0.9016 |
245 | FQI | 0.9014 |
246 | 0VT | 0.9014 |
247 | ZBT | 0.9013 |
248 | SAT | 0.9010 |
249 | HYP | 0.9005 |
250 | ODV | 0.9003 |
251 | PG3 | 0.8999 |
252 | NXA | 0.8994 |
253 | LLQ | 0.8993 |
254 | BAE | 0.8989 |
255 | HZP | 0.8989 |
256 | 4VP | 0.8988 |
257 | GLN | 0.8986 |
258 | MPD | 0.8984 |
259 | FCN | 0.8984 |
260 | BTL | 0.8982 |
261 | BHL | 0.8982 |
262 | 9SB | 0.8981 |
263 | PCA | 0.8980 |
264 | 25T | 0.8977 |
265 | BEN | 0.8975 |
266 | OXD | 0.8974 |
267 | CEJ | 0.8968 |
268 | CRD | 0.8967 |
269 | OCT | 0.8965 |
270 | MED | 0.8959 |
271 | BEZ | 0.8959 |
272 | GLU | 0.8956 |
273 | PAH | 0.8954 |
274 | PBC | 0.8954 |
275 | TLA | 0.8953 |
276 | YCP | 0.8952 |
277 | EFS | 0.8949 |
278 | XPO | 0.8948 |
279 | 13D | 0.8948 |
280 | BNS | 0.8947 |
281 | PLQ | 0.8945 |
282 | GJZ | 0.8944 |
283 | NCA | 0.8942 |
284 | BAM | 0.8938 |
285 | SPA | 0.8937 |
286 | CEE | 0.8936 |
287 | GXV | 0.8935 |
288 | QSC | 0.8930 |
289 | PCR | 0.8930 |
290 | 6PC | 0.8929 |
291 | HQE | 0.8925 |
292 | 4HS | 0.8923 |
293 | NTN | 0.8923 |
294 | AC0 | 0.8922 |
295 | E60 | 0.8920 |
296 | 9A4 | 0.8919 |
297 | 3PP | 0.8919 |
298 | VX | 0.8918 |
299 | CMS | 0.8918 |
300 | NIO | 0.8918 |
301 | MAK | 0.8918 |
302 | P7I | 0.8916 |
303 | LDU | 0.8914 |
304 | MMU | 0.8910 |
305 | 14J | 0.8907 |
306 | FBA | 0.8907 |
307 | 4JN | 0.8904 |
308 | 4SD | 0.8902 |
309 | UY7 | 0.8901 |
310 | 1AB | 0.8900 |
311 | IOL | 0.8895 |
312 | R2B | 0.8887 |
313 | N6C | 0.8883 |
314 | LG4 | 0.8883 |
315 | 4JL | 0.8883 |
316 | PXY | 0.8880 |
317 | FPN | 0.8880 |
318 | M58 | 0.8878 |
319 | EDG | 0.8877 |
320 | MSE | 0.8876 |
321 | VGL | 0.8876 |
322 | 1DQ | 0.8874 |
323 | UNU | 0.8873 |
324 | PZI | 0.8872 |
325 | 3GR | 0.8865 |
326 | BBU | 0.8864 |
327 | ISZ | 0.8864 |
328 | C2B | 0.8864 |
329 | DA1 | 0.8858 |
330 | PZA | 0.8855 |
331 | NIZ | 0.8851 |
332 | SRT | 0.8848 |
333 | PEP | 0.8847 |
334 | XYL | 0.8844 |
335 | RBL | 0.8842 |
336 | 25R | 0.8842 |
337 | 268 | 0.8833 |
338 | HL5 | 0.8829 |
339 | SS2 | 0.8828 |
340 | HSO | 0.8817 |
341 | M4T | 0.8814 |
342 | BHO | 0.8813 |
343 | 9X6 | 0.8812 |
344 | F9P | 0.8810 |
345 | SD4 | 0.8809 |
346 | TAR | 0.8806 |
347 | SS1 | 0.8800 |
348 | IT2 | 0.8800 |
349 | DTT | 0.8800 |
350 | NBZ | 0.8798 |
351 | AG2 | 0.8794 |
352 | 5FX | 0.8793 |
353 | 3SL | 0.8793 |
354 | TPA | 0.8790 |
355 | PPR | 0.8789 |
356 | MUC | 0.8787 |
357 | AL0 | 0.8783 |
358 | QY9 | 0.8779 |
359 | PHB | 0.8779 |
360 | I1E | 0.8777 |
361 | GXE | 0.8776 |
362 | HIO | 0.8774 |
363 | XLS | 0.8773 |
364 | 717 | 0.8773 |
365 | 4JM | 0.8772 |
366 | URO | 0.8771 |
367 | ACH | 0.8771 |
368 | PHU | 0.8767 |
369 | PXO | 0.8767 |
370 | M6W | 0.8764 |
371 | K34 | 0.8763 |
372 | 7N0 | 0.8763 |
373 | AKG | 0.8762 |
374 | 280 | 0.8760 |
375 | D2P | 0.8758 |
376 | XUL | 0.8755 |
377 | AC6 | 0.8754 |
378 | SPV | 0.8753 |
379 | GG6 | 0.8753 |
380 | PKU | 0.8748 |
381 | 2HG | 0.8747 |
382 | CFI | 0.8746 |
383 | 0CL | 0.8742 |
384 | LYS | 0.8740 |
385 | 93B | 0.8738 |
386 | EHM | 0.8737 |
387 | URS | 0.8736 |
388 | GZ3 | 0.8734 |
389 | DE5 | 0.8733 |
390 | 0V5 | 0.8732 |
391 | S2G | 0.8732 |
392 | 2AS | 0.8731 |
393 | C2A | 0.8725 |
394 | G3H | 0.8725 |
395 | GOJ | 0.8723 |
396 | DGL | 0.8721 |
397 | PAC | 0.8718 |
398 | OGA | 0.8715 |
399 | EOU | 0.8708 |
400 | PIS | 0.8699 |
401 | MCT | 0.8697 |
402 | PPV | 0.8695 |
403 | URF | 0.8692 |
404 | MNN | 0.8689 |
405 | WBU | 0.8688 |
406 | PGH | 0.8682 |
407 | 24T | 0.8681 |
408 | FBM | 0.8680 |
409 | BNF | 0.8677 |
410 | PRA | 0.8676 |
411 | J1Z | 0.8676 |
412 | PIH | 0.8672 |
413 | 13P | 0.8666 |
414 | S8V | 0.8666 |
415 | 278 | 0.8659 |
416 | 1SA | 0.8657 |
417 | KOJ | 0.8653 |
418 | TTO | 0.8653 |
419 | HGW | 0.8651 |
420 | 2PN | 0.8644 |
421 | DPF | 0.8642 |
422 | GP9 | 0.8639 |
423 | MRZ | 0.8639 |
424 | DGN | 0.8638 |
425 | YRL | 0.8637 |
426 | MXN | 0.8633 |
427 | MBN | 0.8628 |
428 | FSG | 0.8624 |
429 | 1DV | 0.8623 |
430 | DMV | 0.8621 |
431 | POP | 0.8613 |
432 | NPO | 0.8610 |
433 | TIU | 0.8604 |
434 | 8CL | 0.8599 |
435 | PAB | 0.8599 |
436 | 4FA | 0.8598 |
437 | PAF | 0.8596 |
438 | PBZ | 0.8595 |
439 | 1Y6 | 0.8592 |
440 | 1DJ | 0.8589 |
441 | HHN | 0.8586 |
442 | P72 | 0.8583 |
443 | PMB | 0.8572 |
444 | HBD | 0.8570 |
445 | HYN | 0.8567 |
446 | ES3 | 0.8565 |
447 | JZ6 | 0.8559 |
448 | MDN | 0.8548 |
449 | FB2 | 0.8546 |
This union binding pocket(no: 1) in the query (biounit: 3jdw.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3jdw.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |