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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 | 1CHM | Ki = 0.22 mM | CMS | C4 H8 N2 O3 | CN(CC(=O)O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1CHM | Ki = 0.22 mM | CMS | C4 H8 N2 O3 | CN(CC(=O)O.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LMR | 0.9993 |
2 | OAA | 0.9958 |
3 | MLT | 0.9936 |
4 | ASN | 0.9918 |
5 | UGC | 0.9914 |
6 | ASP | 0.9892 |
7 | JYD | 0.9837 |
8 | DAS | 0.9737 |
9 | SIN | 0.9733 |
10 | FUM | 0.9731 |
11 | DYA | 0.9713 |
12 | LEU | 0.9660 |
13 | NMG | 0.9652 |
14 | TEO | 0.9644 |
15 | PRO | 0.9593 |
16 | AC5 | 0.9584 |
17 | PCA | 0.9566 |
18 | HSE | 0.9560 |
19 | DCL | 0.9553 |
20 | SRT | 0.9550 |
21 | TLA | 0.9541 |
22 | PEP | 0.9527 |
23 | ILE | 0.9517 |
24 | MRZ | 0.9516 |
25 | ITN | 0.9503 |
26 | VAL | 0.9491 |
27 | MAE | 0.9488 |
28 | TFB | 0.9485 |
29 | IQ0 | 0.9472 |
30 | TAR | 0.9466 |
31 | AHB | 0.9463 |
32 | 98J | 0.9456 |
33 | THR | 0.9453 |
34 | THE | 0.9444 |
35 | URP | 0.9443 |
36 | 9X7 | 0.9439 |
37 | 8EZ | 0.9432 |
38 | MLE | 0.9424 |
39 | OEM | 0.9419 |
40 | SPV | 0.9408 |
41 | IHG | 0.9407 |
42 | H95 | 0.9407 |
43 | PEQ | 0.9406 |
44 | 0V5 | 0.9406 |
45 | HDA | 0.9405 |
46 | 2RH | 0.9400 |
47 | 51F | 0.9395 |
48 | DAB | 0.9370 |
49 | AKG | 0.9367 |
50 | NVA | 0.9360 |
51 | KIV | 0.9360 |
52 | 192 | 0.9359 |
53 | 40E | 0.9350 |
54 | NXA | 0.9345 |
55 | 4MV | 0.9344 |
56 | HY3 | 0.9332 |
57 | HYP | 0.9327 |
58 | TZE | 0.9323 |
59 | 6JN | 0.9315 |
60 | HIO | 0.9304 |
61 | COI | 0.9297 |
62 | HCS | 0.9290 |
63 | GZ3 | 0.9286 |
64 | 2AS | 0.9285 |
65 | ICF | 0.9283 |
66 | 9YL | 0.9279 |
67 | 3SL | 0.9277 |
68 | GLN | 0.9276 |
69 | 6NA | 0.9271 |
70 | ORN | 0.9270 |
71 | 3HG | 0.9268 |
72 | IZC | 0.9267 |
73 | R2B | 0.9259 |
74 | PPR | 0.9256 |
75 | HTX | 0.9251 |
76 | HZP | 0.9248 |
77 | T2C | 0.9232 |
78 | ACH | 0.9229 |
79 | XYL | 0.9228 |
80 | RB0 | 0.9228 |
81 | RB5 | 0.9228 |
82 | RSF | 0.9224 |
83 | GUA | 0.9222 |
84 | MUC | 0.9222 |
85 | PLU | 0.9220 |
86 | ALO | 0.9218 |
87 | LER | 0.9210 |
88 | GLL | 0.9209 |
89 | VAH | 0.9209 |
90 | PZI | 0.9201 |
91 | MLI | 0.9201 |
92 | 5AC | 0.9198 |
93 | 2TQ | 0.9192 |
94 | 2HG | 0.9189 |
95 | HL5 | 0.9183 |
96 | 8EW | 0.9182 |
97 | R1X | 0.9177 |
98 | 23B | 0.9176 |
99 | YCP | 0.9174 |
100 | S0H | 0.9170 |
101 | IMR | 0.9169 |
102 | GLU | 0.9167 |
103 | GAG | 0.9166 |
104 | EHM | 0.9164 |
105 | DGL | 0.9162 |
106 | QDK | 0.9162 |
107 | SPA | 0.9159 |
108 | SKJ | 0.9156 |
109 | PGA | 0.9153 |
110 | 2PG | 0.9151 |
111 | MPD | 0.9150 |
112 | NLE | 0.9149 |
113 | XUL | 0.9149 |
114 | 69O | 0.9149 |
115 | GLY GLY | 0.9149 |
116 | SER | 0.9146 |
117 | 7A8 | 0.9141 |
118 | CP | 0.9140 |
119 | 4CS | 0.9139 |
120 | PGH | 0.9138 |
121 | SHF | 0.9130 |
122 | GLY ALA | 0.9129 |
123 | IXW | 0.9128 |
124 | PRI | 0.9128 |
125 | DXX | 0.9126 |
126 | QY9 | 0.9125 |
127 | 1DQ | 0.9122 |
128 | XSP | 0.9120 |
129 | 1SP | 0.9119 |
130 | AKB | 0.9115 |
131 | 6PC | 0.9115 |
132 | ROR | 0.9114 |
133 | GGL | 0.9113 |
134 | 2IT | 0.9113 |
135 | 5FX | 0.9112 |
136 | 2AL | 0.9109 |
137 | TMH | 0.9108 |
138 | KMH | 0.9105 |
139 | 5HY | 0.9105 |
140 | RBL | 0.9102 |
141 | DSN | 0.9097 |
142 | RUU | 0.9096 |
143 | FBJ | 0.9095 |
144 | PAC | 0.9094 |
145 | 1AB | 0.9093 |
146 | 3S5 | 0.9092 |
147 | X1S | 0.9090 |
148 | LLQ | 0.9083 |
149 | 3PP | 0.9083 |
150 | UYA | 0.9082 |
151 | 2CO | 0.9081 |
152 | R9M | 0.9074 |
153 | MLA | 0.9074 |
154 | 3PY | 0.9074 |
155 | 3V4 | 0.9073 |
156 | FW5 | 0.9072 |
157 | OXQ | 0.9071 |
158 | NCA | 0.9071 |
159 | TZL | 0.9070 |
160 | ZBT | 0.9070 |
161 | CSS | 0.9070 |
162 | 60P | 0.9069 |
163 | BEN | 0.9068 |
164 | CDV | 0.9064 |
165 | NIO | 0.9064 |
166 | 2KT | 0.9064 |
167 | BAM | 0.9063 |
168 | SMN | 0.9060 |
169 | 23W | 0.9057 |
170 | NBZ | 0.9054 |
171 | 9X6 | 0.9053 |
172 | PZA | 0.9051 |
173 | BTL | 0.9050 |
174 | SC2 | 0.9049 |
175 | RSO | 0.9047 |
176 | HX2 | 0.9045 |
177 | LNO | 0.9039 |
178 | K6H | 0.9039 |
179 | 7WG | 0.9038 |
180 | MEV | 0.9036 |
181 | SNE | 0.9036 |
182 | M6W | 0.9035 |
183 | MRY | 0.9035 |
184 | DGY | 0.9032 |
185 | DAL DAL | 0.9031 |
186 | ONL | 0.9031 |
187 | BEZ | 0.9028 |
188 | XBT | 0.9026 |
189 | 54D | 0.9026 |
190 | EDG | 0.9026 |
191 | FLA | 0.9020 |
192 | MSE | 0.9020 |
193 | PIS | 0.9017 |
194 | ASC | 0.9017 |
195 | HBA | 0.9016 |
196 | DPR | 0.9012 |
197 | BAE | 0.9011 |
198 | QFH | 0.9009 |
199 | XLS | 0.9008 |
200 | HSM | 0.9007 |
201 | CHT | 0.9005 |
202 | CYS | 0.9002 |
203 | 7VD | 0.9000 |
204 | 2PC | 0.8998 |
205 | GRO | 0.8996 |
206 | UY7 | 0.8994 |
207 | URQ | 0.8993 |
208 | GLY CYS | 0.8991 |
209 | SSN | 0.8990 |
210 | 13P | 0.8990 |
211 | 49F | 0.8989 |
212 | PYC | 0.8988 |
213 | 1WD | 0.8984 |
214 | KG7 | 0.8982 |
215 | HY1 | 0.8980 |
216 | 7N0 | 0.8978 |
217 | HIS | 0.8973 |
218 | AG2 | 0.8973 |
219 | BE2 | 0.8973 |
220 | MLM | 0.8972 |
221 | IVA | 0.8972 |
222 | DYT | 0.8972 |
223 | WTZ | 0.8970 |
224 | 1P3 | 0.8968 |
225 | GG6 | 0.8968 |
226 | DPF | 0.8968 |
227 | HUI | 0.8963 |
228 | JZ5 | 0.8959 |
229 | A3M | 0.8958 |
230 | ABN | 0.8957 |
231 | DS0 | 0.8956 |
232 | AHR | 0.8956 |
233 | PRS | 0.8954 |
234 | M58 | 0.8953 |
235 | FEH | 0.8951 |
236 | 1SH | 0.8945 |
237 | CIZ | 0.8945 |
238 | TZC | 0.8945 |
239 | SOR | 0.8944 |
240 | A20 | 0.8944 |
241 | FPI | 0.8942 |
242 | ABA | 0.8942 |
243 | QSC | 0.8942 |
244 | 3HL | 0.8942 |
245 | SMV | 0.8941 |
246 | 1DU | 0.8940 |
247 | HBX | 0.8940 |
248 | SAL | 0.8939 |
249 | CFI | 0.8938 |
250 | RMN | 0.8937 |
251 | HYA | 0.8936 |
252 | BNS | 0.8935 |
253 | RNS | 0.8934 |
254 | 3PG | 0.8930 |
255 | OHP | 0.8929 |
256 | 271 | 0.8929 |
257 | 3OC | 0.8929 |
258 | MET | 0.8929 |
259 | PPV | 0.8928 |
260 | FUD | 0.8928 |
261 | TIU | 0.8928 |
262 | GP9 | 0.8927 |
263 | DE2 | 0.8926 |
264 | 280 | 0.8925 |
265 | ISZ | 0.8923 |
266 | APY | 0.8923 |
267 | UNU | 0.8921 |
268 | KVP | 0.8920 |
269 | DBB | 0.8920 |
270 | SYN | 0.8919 |
271 | ABU | 0.8918 |
272 | ALA ALA | 0.8918 |
273 | SS1 | 0.8917 |
274 | 3HR | 0.8913 |
275 | OPE | 0.8910 |
276 | JZ7 | 0.8908 |
277 | 9ON | 0.8907 |
278 | MXN | 0.8906 |
279 | PBC | 0.8906 |
280 | G2H | 0.8906 |
281 | MEQ | 0.8904 |
282 | 03W | 0.8902 |
283 | SS2 | 0.8901 |
284 | GBD | 0.8901 |
285 | G3H | 0.8900 |
286 | PAE | 0.8900 |
287 | PAH | 0.8898 |
288 | I4B | 0.8897 |
289 | A3B | 0.8896 |
290 | KYD | 0.8890 |
291 | PG3 | 0.8889 |
292 | BP9 | 0.8887 |
293 | POP | 0.8887 |
294 | CXF | 0.8887 |
295 | BHH | 0.8887 |
296 | AT3 | 0.8886 |
297 | N6C | 0.8884 |
298 | OHG | 0.8884 |
299 | DCY | 0.8881 |
300 | MPJ | 0.8881 |
301 | IP0 | 0.8878 |
302 | SMB | 0.8872 |
303 | NIZ | 0.8872 |
304 | 3YP | 0.8871 |
305 | BHO | 0.8869 |
306 | AMC | 0.8867 |
307 | ES6 | 0.8867 |
308 | PY7 | 0.8867 |
309 | N4B | 0.8866 |
310 | VNJ | 0.8865 |
311 | 39J | 0.8861 |
312 | KPL | 0.8858 |
313 | 2PN | 0.8856 |
314 | FUB | 0.8854 |
315 | PAF | 0.8854 |
316 | IPU | 0.8853 |
317 | PYJ | 0.8853 |
318 | G3P | 0.8849 |
319 | PG0 | 0.8849 |
320 | SEP | 0.8849 |
321 | IT2 | 0.8848 |
322 | DTL | 0.8847 |
323 | OSE | 0.8847 |
324 | 32O | 0.8842 |
325 | 3U4 | 0.8841 |
326 | ISD | 0.8841 |
327 | B24 | 0.8839 |
328 | PUT | 0.8839 |
329 | PMB | 0.8838 |
330 | MZ0 | 0.8835 |
331 | 152 | 0.8835 |
332 | 8OZ | 0.8835 |
333 | 1DV | 0.8831 |
334 | 2LP | 0.8831 |
335 | SD4 | 0.8830 |
336 | 0OC | 0.8829 |
337 | BUB | 0.8828 |
338 | AAE | 0.8828 |
339 | FBM | 0.8825 |
340 | MED | 0.8825 |
341 | P2D | 0.8822 |
342 | 4XR | 0.8820 |
343 | 273 | 0.8819 |
344 | FCN | 0.8818 |
345 | KOJ | 0.8817 |
346 | HIU | 0.8816 |
347 | OGA | 0.8815 |
348 | K7M | 0.8812 |
349 | 2DR | 0.8811 |
350 | PEL | 0.8810 |
351 | 4SV | 0.8810 |
352 | NPO | 0.8808 |
353 | 2FT | 0.8807 |
354 | JZ4 | 0.8807 |
355 | FQI | 0.8806 |
356 | CEE | 0.8806 |
357 | FOA | 0.8804 |
358 | RNT | 0.8804 |
359 | TIH | 0.8803 |
360 | IFM | 0.8801 |
361 | 4JL | 0.8799 |
362 | 3NT | 0.8795 |
363 | I1E | 0.8794 |
364 | 1GP | 0.8794 |
365 | TB6 | 0.8794 |
366 | DMV | 0.8793 |
367 | LDU | 0.8793 |
368 | 1SA | 0.8792 |
369 | KMT | 0.8791 |
370 | F9P | 0.8786 |
371 | MDN | 0.8784 |
372 | 278 | 0.8783 |
373 | DHS | 0.8783 |
374 | C2N | 0.8781 |
375 | PEA | 0.8774 |
376 | FP1 | 0.8773 |
377 | C21 | 0.8769 |
378 | 3SK | 0.8769 |
379 | 6M4 | 0.8766 |
380 | HSO | 0.8761 |
381 | ZGL | 0.8760 |
382 | ODV | 0.8759 |
383 | 9RW | 0.8758 |
384 | 1DJ | 0.8754 |
385 | 4SD | 0.8754 |
386 | FB2 | 0.8752 |
387 | PBE | 0.8752 |
388 | BVG | 0.8751 |
389 | PHB | 0.8750 |
390 | MD0 | 0.8748 |
391 | SOL | 0.8748 |
392 | C5J | 0.8746 |
393 | JKE | 0.8743 |
394 | 261 | 0.8741 |
395 | 14J | 0.8741 |
396 | PEZ | 0.8729 |
397 | LEA | 0.8727 |
398 | FAN | 0.8724 |
399 | GYE | 0.8723 |
400 | LYS | 0.8723 |
401 | GAB | 0.8722 |
402 | 6CS | 0.8722 |
403 | AC0 | 0.8722 |
404 | VGL | 0.8718 |
405 | PCT | 0.8717 |
406 | SKG | 0.8715 |
407 | RIB | 0.8715 |
408 | 9J3 | 0.8712 |
409 | 5CU | 0.8710 |
410 | 1LN | 0.8708 |
411 | BVC | 0.8707 |
412 | HVQ | 0.8705 |
413 | MZW | 0.8702 |
414 | H76 | 0.8700 |
415 | SAT | 0.8699 |
416 | Z6J | 0.8696 |
417 | FJO | 0.8694 |
418 | TPO | 0.8688 |
419 | 53C | 0.8686 |
420 | 7WV | 0.8686 |
421 | RM1 | 0.8685 |
422 | 2EZ | 0.8684 |
423 | P22 | 0.8683 |
424 | 3AL | 0.8680 |
425 | 9CL | 0.8671 |
426 | HHA | 0.8670 |
427 | PMF | 0.8668 |
428 | XM0 | 0.8665 |
429 | NTN | 0.8664 |
430 | DTT | 0.8659 |
431 | 3HB | 0.8656 |
432 | 34V | 0.8655 |
433 | 9TZ | 0.8651 |
434 | 51R | 0.8651 |
435 | DTU | 0.8649 |
436 | O7U | 0.8647 |
437 | 265 | 0.8640 |
438 | TP5 | 0.8632 |
439 | 5RG | 0.8632 |
440 | 54G | 0.8629 |
441 | AOS | 0.8625 |
442 | IPM | 0.8623 |
443 | 173 | 0.8623 |
444 | 5M0 | 0.8617 |
445 | C2A | 0.8617 |
446 | BDR | 0.8611 |
447 | XPO | 0.8610 |
448 | COM | 0.8610 |
449 | TAU | 0.8610 |
450 | PRY | 0.8610 |
451 | BSX | 0.8609 |
452 | AC6 | 0.8609 |
453 | TPA | 0.8607 |
454 | MNN | 0.8607 |
455 | ETM | 0.8606 |
456 | HPV | 0.8604 |
457 | PC | 0.8600 |
458 | FA0 | 0.8596 |
459 | ETX | 0.8583 |
460 | HBD | 0.8582 |
461 | XAP | 0.8580 |
462 | JBN | 0.8573 |
463 | 1Y6 | 0.8560 |
464 | BXO | 0.8547 |
465 | 3AB | 0.8540 |
466 | PYF | 0.8536 |
467 | 8GC | 0.8521 |
This union binding pocket(no: 1) in the query (biounit: 1chm.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1chm.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |