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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 214 families. | |||||
1 | 1Y20 | Ki = 4.8 uM | 1AC | C4 H7 N O2 | C1CC1(C(=O.... |
2 | 1PB7 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
3 | 1Y1Z | Ki = 0.831 mM | 192 | C5 H9 N O2 | C1CC(C1)(C.... |
4 | 1PB8 | Ki = 7.02 uM | DSN | C3 H7 N O3 | C([C@H](C(.... |
5 | 1Y1M | Ki = 15.3 mM | AC5 | C6 H11 N O2 | C1CCC(C1)(.... |
6 | 1PBQ | Ki = 0.54 uM | DK1 | C10 H5 Cl2 N O3 | c1c(cc(c2c.... |
7 | 1PB9 | Ki = 241 uM | 4AX | C3 H6 N2 O2 | C1[C@H](C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 3OEM | - | OEM | C5 H9 N O4 | CN[C@H](CC.... |
2 | 3OEN | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
3 | 3OEK | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
4 | 4JWY | - | 1N4 | C8 H13 N3 O3 | CCCc1cnn(c.... |
5 | 3OEL | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
6 | 4JWX | - | 1N4 | C8 H13 N3 O3 | CCCc1cnn(c.... |
7 | 2A5S | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
8 | 2RC9 | - | 1AC | C4 H7 N O2 | C1CC1(C(=O.... |
9 | 2RC8 | - | DSN | C3 H7 N O3 | C([C@H](C(.... |
10 | 2RC7 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
11 | 2RCB | - | DSN | C3 H7 N O3 | C([C@H](C(.... |
12 | 2RCA | Kd = 16.4 nM | GLY | C2 H5 N O2 | C(C(=O)O)N |
13 | 1Y20 | Ki = 4.8 uM | 1AC | C4 H7 N O2 | C1CC1(C(=O.... |
14 | 1PB7 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
15 | 1Y1Z | Ki = 0.831 mM | 192 | C5 H9 N O2 | C1CC(C1)(C.... |
16 | 1PB8 | Ki = 7.02 uM | DSN | C3 H7 N O3 | C([C@H](C(.... |
17 | 1Y1M | Ki = 15.3 mM | AC5 | C6 H11 N O2 | C1CCC(C1)(.... |
18 | 1PBQ | Ki = 0.54 uM | DK1 | C10 H5 Cl2 N O3 | c1c(cc(c2c.... |
19 | 1PB9 | Ki = 241 uM | 4AX | C3 H6 N2 O2 | C1[C@H](C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4AX | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KSW | 1.0000 |
2 | MB3 | 1.0000 |
3 | MMZ | 0.9988 |
4 | DMI | 0.9870 |
5 | HSL | 0.9852 |
6 | DTI | 0.9830 |
7 | CAQ | 0.9772 |
8 | 280 | 0.9755 |
9 | IPH | 0.9718 |
10 | OXL | 0.9704 |
11 | 7EX | 0.9675 |
12 | PYR | 0.9663 |
13 | 3ZQ | 0.9661 |
14 | 76X | 0.9660 |
15 | GBL | 0.9659 |
16 | OXM | 0.9654 |
17 | 8LG | 0.9650 |
18 | FP2 | 0.9650 |
19 | 93Q | 0.9640 |
20 | 938 | 0.9630 |
21 | 92Z | 0.9630 |
22 | L89 | 0.9630 |
23 | BEW | 0.9628 |
24 | LAC | 0.9621 |
25 | 1AN | 0.9620 |
26 | 40O | 0.9619 |
27 | OXD | 0.9608 |
28 | BAQ | 0.9597 |
29 | LGA | 0.9590 |
30 | 2CH | 0.9580 |
31 | HVK | 0.9570 |
32 | 2KT | 0.9569 |
33 | JZ0 | 0.9560 |
34 | 2AF | 0.9560 |
35 | HTS | 0.9560 |
36 | 2OP | 0.9559 |
37 | 3AP | 0.9550 |
38 | ALA | 0.9549 |
39 | URA | 0.9540 |
40 | MBN | 0.9540 |
41 | HRZ | 0.9540 |
42 | AMT | 0.9540 |
43 | 2AP | 0.9540 |
44 | 9PO | 0.9530 |
45 | DAL | 0.9528 |
46 | GOL | 0.9526 |
47 | 285 | 0.9522 |
48 | 4AP | 0.9520 |
49 | HOW | 0.9519 |
50 | HIU | 0.9515 |
51 | DGY | 0.9514 |
52 | 1CB | 0.9512 |
53 | 3TR | 0.9511 |
54 | OXE | 0.9510 |
55 | CXL | 0.9509 |
56 | 4XX | 0.9500 |
57 | 26D | 0.9493 |
58 | HGY | 0.9486 |
59 | 4MZ | 0.9483 |
60 | 93B | 0.9483 |
61 | 278 | 0.9483 |
62 | 6X8 | 0.9480 |
63 | MR3 | 0.9479 |
64 | HPY | 0.9472 |
65 | L60 | 0.9472 |
66 | 1MZ | 0.9471 |
67 | 2IM | 0.9471 |
68 | 2MZ | 0.9463 |
69 | 5MP | 0.9462 |
70 | CEJ | 0.9461 |
71 | 2AI | 0.9457 |
72 | DSN | 0.9456 |
73 | HYN | 0.9450 |
74 | YAN | 0.9450 |
75 | SER | 0.9449 |
76 | 4DX | 0.9444 |
77 | PHZ | 0.9440 |
78 | BNZ | 0.9440 |
79 | 0PY | 0.9440 |
80 | HHN | 0.9440 |
81 | ALQ | 0.9435 |
82 | A2Q | 0.9432 |
83 | 8CL | 0.9430 |
84 | V1L | 0.9430 |
85 | 2RA | 0.9426 |
86 | 6SP | 0.9426 |
87 | CRS | 0.9423 |
88 | NIS | 0.9421 |
89 | P1R | 0.9420 |
90 | MZY | 0.9413 |
91 | GXE | 0.9410 |
92 | DXX | 0.9408 |
93 | TF4 | 0.9407 |
94 | H3M | 0.9406 |
95 | CYH | 0.9404 |
96 | TTO | 0.9400 |
97 | 5KX | 0.9388 |
98 | 1AC | 0.9386 |
99 | 3MT | 0.9383 |
100 | 3ZS | 0.9383 |
101 | PIH | 0.9380 |
102 | ATQ | 0.9380 |
103 | DBB | 0.9380 |
104 | B20 | 0.9380 |
105 | HGQ | 0.9377 |
106 | NAK | 0.9371 |
107 | HUI | 0.9360 |
108 | CYT | 0.9360 |
109 | A3B | 0.9359 |
110 | DUC | 0.9358 |
111 | TMT | 0.9330 |
112 | HAI | 0.9330 |
113 | LG3 | 0.9330 |
114 | HGW | 0.9330 |
115 | WOT | 0.9326 |
116 | JZ6 | 0.9321 |
117 | 8GF | 0.9320 |
118 | ES3 | 0.9318 |
119 | PYZ | 0.9312 |
120 | TMZ | 0.9310 |
121 | RCO | 0.9310 |
122 | DE2 | 0.9309 |
123 | KG7 | 0.9308 |
124 | HBR | 0.9305 |
125 | IDH | 0.9298 |
126 | 03W | 0.9296 |
127 | LG5 | 0.9290 |
128 | BYZ | 0.9290 |
129 | JZ3 | 0.9282 |
130 | 284 | 0.9280 |
131 | 3GR | 0.9279 |
132 | SMB | 0.9277 |
133 | XIX | 0.9273 |
134 | PRI | 0.9271 |
135 | 5Y9 | 0.9270 |
136 | BUO | 0.9268 |
137 | BVF | 0.9260 |
138 | GXV | 0.9258 |
139 | 6UA | 0.9254 |
140 | ETF | 0.9253 |
141 | 24T | 0.9248 |
142 | NCM | 0.9245 |
143 | HBS | 0.9241 |
144 | URF | 0.9234 |
145 | 3PY | 0.9229 |
146 | 1XX | 0.9227 |
147 | 3CH | 0.9220 |
148 | WBU | 0.9215 |
149 | CIG | 0.9210 |
150 | PYM | 0.9210 |
151 | GOA | 0.9208 |
152 | NEQ | 0.9207 |
153 | MZ0 | 0.9206 |
154 | PYG | 0.9205 |
155 | CYS | 0.9203 |
156 | YHO | 0.9200 |
157 | SYN | 0.9192 |
158 | DCY | 0.9182 |
159 | B3R | 0.9180 |
160 | R8A | 0.9177 |
161 | BVG | 0.9172 |
162 | RP7 | 0.9168 |
163 | NVI | 0.9167 |
164 | 39J | 0.9158 |
165 | XYS | 0.9153 |
166 | 25T | 0.9150 |
167 | THR | 0.9146 |
168 | ABA | 0.9142 |
169 | M3T | 0.9140 |
170 | HEW | 0.9140 |
171 | 286 | 0.9136 |
172 | RSF | 0.9136 |
173 | TAY | 0.9133 |
174 | MRY | 0.9130 |
175 | FAH | 0.9125 |
176 | HHQ | 0.9120 |
177 | 4H2 | 0.9120 |
178 | C2N | 0.9118 |
179 | ECE | 0.9118 |
180 | 2EZ | 0.9114 |
181 | HLT | 0.9111 |
182 | 3MC | 0.9110 |
183 | CNH | 0.9097 |
184 | JZ1 | 0.9091 |
185 | TDR | 0.9090 |
186 | 0R0 | 0.9088 |
187 | LER | 0.9086 |
188 | ABN | 0.9085 |
189 | PYJ | 0.9083 |
190 | FLM | 0.9080 |
191 | MBD | 0.9080 |
192 | 3FA | 0.9080 |
193 | 4CH | 0.9077 |
194 | FFP | 0.9070 |
195 | NK | 0.9066 |
196 | ICC | 0.9060 |
197 | MLI | 0.9056 |
198 | 9CL | 0.9055 |
199 | DMG | 0.9052 |
200 | 2HA | 0.9052 |
201 | WDL | 0.9050 |
202 | 3OH | 0.9049 |
203 | FW5 | 0.9046 |
204 | XYP | 0.9042 |
205 | 6MH | 0.9040 |
206 | 2C9 | 0.9040 |
207 | HAE | 0.9036 |
208 | R2B | 0.9035 |
209 | R1X | 0.9035 |
210 | BVC | 0.9033 |
211 | IMR | 0.9032 |
212 | 192 | 0.9031 |
213 | GLY | 0.9031 |
214 | 27Y | 0.9030 |
215 | PCR | 0.9030 |
216 | GMN | 0.9030 |
217 | VAL | 0.9030 |
218 | 1AB | 0.9025 |
219 | MLA | 0.9024 |
220 | 2MY | 0.9020 |
221 | 282 | 0.9020 |
222 | APY | 0.9020 |
223 | 4JU | 0.9013 |
224 | 2MH | 0.9013 |
225 | NIE | 0.9013 |
226 | BR9 | 0.9010 |
227 | XYD | 0.9010 |
228 | 2CM | 0.9010 |
229 | ICP | 0.9010 |
230 | LDU | 0.9003 |
231 | 3CE | 0.9001 |
232 | HBX | 0.9001 |
233 | HQE | 0.9000 |
234 | 23W | 0.8997 |
235 | HUH | 0.8997 |
236 | 2DR | 0.8993 |
237 | A1U | 0.8990 |
238 | 3MH | 0.8990 |
239 | 5UC | 0.8990 |
240 | DUB | 0.8990 |
241 | TAN | 0.8983 |
242 | 25R | 0.8980 |
243 | GLV | 0.8980 |
244 | TRI | 0.8977 |
245 | IMD | 0.8974 |
246 | FPN | 0.8970 |
247 | 4JN | 0.8970 |
248 | 1DH | 0.8970 |
249 | PLQ | 0.8970 |
250 | AX2 | 0.8970 |
251 | PPI | 0.8968 |
252 | CHT | 0.8966 |
253 | FPY | 0.8964 |
254 | 1PT | 0.8962 |
255 | HSE | 0.8961 |
256 | HY3 | 0.8960 |
257 | 3AY | 0.8960 |
258 | DA1 | 0.8960 |
259 | HSW | 0.8959 |
260 | MLT | 0.8957 |
261 | PZO | 0.8954 |
262 | DAB | 0.8952 |
263 | FPI | 0.8951 |
264 | 1MR | 0.8950 |
265 | 4HO | 0.8950 |
266 | PYD | 0.8948 |
267 | E60 | 0.8947 |
268 | 9TY | 0.8943 |
269 | MEU | 0.8941 |
270 | LG4 | 0.8940 |
271 | TM7 | 0.8940 |
272 | PXY | 0.8940 |
273 | 4HS | 0.8940 |
274 | TB0 | 0.8936 |
275 | EDG | 0.8933 |
276 | IOL | 0.8930 |
277 | 4CL | 0.8930 |
278 | BML | 0.8930 |
279 | 13X | 0.8930 |
280 | DCD | 0.8926 |
281 | 5AC | 0.8924 |
282 | KIV | 0.8923 |
283 | 47J | 0.8923 |
284 | B24 | 0.8921 |
285 | JZ2 | 0.8920 |
286 | MCT | 0.8920 |
287 | HVQ | 0.8917 |
288 | AKB | 0.8917 |
289 | 1MC | 0.8910 |
290 | 4ZE | 0.8910 |
291 | 4JJ | 0.8910 |
292 | XBZ | 0.8910 |
293 | MWM | 0.8910 |
294 | PY7 | 0.8900 |
295 | 4JO | 0.8900 |
296 | MWJ | 0.8900 |
297 | 2ZX | 0.8900 |
298 | NBE | 0.8896 |
299 | F3V | 0.8894 |
300 | ALO | 0.8892 |
301 | 34A | 0.8890 |
302 | MZG | 0.8888 |
303 | C5J | 0.8884 |
304 | AOA | 0.8884 |
305 | ALF | 0.8883 |
306 | J1Z | 0.8882 |
307 | QOS | 0.8881 |
308 | Y8I | 0.8880 |
309 | 5MH | 0.8880 |
310 | 94N | 0.8880 |
311 | 5ZE | 0.8880 |
312 | AKR | 0.8880 |
313 | PPF | 0.8880 |
314 | 2YU | 0.8879 |
315 | 0TR | 0.8874 |
316 | GVH | 0.8870 |
317 | 2AC | 0.8870 |
318 | TH0 | 0.8870 |
319 | HT4 | 0.8867 |
320 | 6HQ | 0.8866 |
321 | TFB | 0.8865 |
322 | ASP | 0.8865 |
323 | 61G | 0.8862 |
324 | 5JC | 0.8862 |
325 | F50 | 0.8862 |
326 | NHY | 0.8860 |
327 | BZI | 0.8860 |
328 | BAL | 0.8854 |
329 | 0CT | 0.8853 |
330 | IDM | 0.8847 |
331 | ETM | 0.8841 |
332 | R3W | 0.8840 |
333 | 0R1 | 0.8840 |
334 | 2A1 | 0.8840 |
335 | 5AN | 0.8837 |
336 | AGU | 0.8835 |
337 | BR8 | 0.8830 |
338 | MPI | 0.8830 |
339 | PYF | 0.8829 |
340 | MGX | 0.8824 |
341 | BUQ | 0.8823 |
342 | ICN | 0.8821 |
343 | IUR | 0.8820 |
344 | BZF | 0.8820 |
345 | 43M | 0.8820 |
346 | 2MP | 0.8820 |
347 | AMC | 0.8819 |
348 | YTB | 0.8815 |
349 | PAV | 0.8814 |
350 | 2A3 | 0.8812 |
351 | LZ1 | 0.8810 |
352 | IND | 0.8810 |
353 | VSO | 0.8810 |
354 | RIB | 0.8805 |
355 | HCS | 0.8802 |
356 | PRO | 0.8801 |
357 | NMU | 0.8800 |
358 | 275 | 0.8798 |
359 | JZ9 | 0.8797 |
360 | FJO | 0.8797 |
361 | ADE | 0.8794 |
362 | SEJ | 0.8794 |
363 | OXQ | 0.8790 |
364 | 7CZ | 0.8790 |
365 | AHR | 0.8787 |
366 | 51F | 0.8785 |
367 | MAK | 0.8779 |
368 | 0MK | 0.8774 |
369 | O7U | 0.8773 |
370 | 7HP | 0.8768 |
371 | FUB | 0.8767 |
372 | IQ0 | 0.8763 |
373 | 4JP | 0.8763 |
374 | MMU | 0.8760 |
375 | HV2 | 0.8758 |
376 | BAE | 0.8756 |
377 | 23B | 0.8750 |
378 | GAG | 0.8746 |
379 | OHG | 0.8742 |
380 | RIP | 0.8741 |
381 | 9X7 | 0.8741 |
382 | DEN | 0.8740 |
383 | HPA | 0.8739 |
384 | ERH | 0.8735 |
385 | LXC | 0.8729 |
386 | ARB | 0.8727 |
387 | 64K | 0.8724 |
388 | ABE | 0.8724 |
389 | SAR | 0.8723 |
390 | 2PC | 0.8720 |
391 | TLD | 0.8719 |
392 | PRS | 0.8716 |
393 | BDR | 0.8714 |
394 | HVB | 0.8709 |
395 | GBD | 0.8706 |
396 | OXZ | 0.8705 |
397 | TSZ | 0.8704 |
398 | TZZ | 0.8703 |
399 | TM4 | 0.8697 |
400 | H76 | 0.8696 |
401 | ARA | 0.8695 |
402 | 3XX | 0.8693 |
403 | 8X3 | 0.8682 |
404 | BUA | 0.8681 |
405 | JIF | 0.8680 |
406 | 69O | 0.8678 |
407 | 3Z7 | 0.8675 |
408 | TCZ | 0.8656 |
409 | FPK | 0.8654 |
410 | FUC | 0.8654 |
411 | KYD | 0.8653 |
412 | DPR | 0.8651 |
413 | 9HX | 0.8650 |
414 | 8FH | 0.8647 |
415 | BTL | 0.8646 |
416 | 9DA | 0.8640 |
417 | 2HE | 0.8639 |
418 | M2H | 0.8631 |
419 | FUL | 0.8628 |
420 | BTE | 0.8627 |
421 | 260 | 0.8620 |
422 | 3SY | 0.8619 |
423 | PM6 | 0.8610 |
424 | BXA | 0.8610 |
425 | J3K | 0.8607 |
426 | CIZ | 0.8604 |
427 | F81 | 0.8600 |
428 | FOA | 0.8599 |
429 | IP0 | 0.8599 |
430 | CRN | 0.8594 |
431 | AAE | 0.8593 |
432 | PYC | 0.8591 |
433 | RUU | 0.8589 |
434 | FUF | 0.8584 |
435 | ES4 | 0.8580 |
436 | 1DU | 0.8578 |
437 | FLA | 0.8576 |
438 | 7WA | 0.8570 |
439 | DFU | 0.8564 |
440 | 10L | 0.8560 |
441 | IFM | 0.8554 |
442 | ATO | 0.8550 |
443 | BP1 | 0.8550 |
444 | C2A | 0.8545 |
445 | PBE | 0.8540 |
446 | 7MH | 0.8530 |
447 | 60P | 0.8530 |
448 | JBN | 0.8528 |
449 | CP2 | 0.8525 |
450 | OAA | 0.8521 |
This union binding pocket(no: 1) in the query (biounit: 1pbq.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1pbq.bio2) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |