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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 | Similarity coefficient |
---|---|---|
1 | DXX | 0.9687 |
2 | TFB | 0.9647 |
3 | PRO | 0.9646 |
4 | VAL | 0.9609 |
5 | 23B | 0.9599 |
6 | 2PC | 0.9589 |
7 | LMR | 0.9584 |
8 | CMS | 0.9584 |
9 | QFH | 0.9578 |
10 | WTZ | 0.9575 |
11 | IQ0 | 0.9575 |
12 | UGC | 0.9570 |
13 | THR | 0.9557 |
14 | 273 | 0.9555 |
15 | AKB | 0.9545 |
16 | CRN | 0.9543 |
17 | IOM | 0.9543 |
18 | PCA | 0.9520 |
19 | MLT | 0.9503 |
20 | ASN | 0.9493 |
21 | ALO | 0.9465 |
22 | KIV | 0.9458 |
23 | ITN | 0.9452 |
24 | HZP | 0.9452 |
25 | OAA | 0.9449 |
26 | ASP | 0.9432 |
27 | FOA | 0.9419 |
28 | DPR | 0.9416 |
29 | MLI | 0.9391 |
30 | YCP | 0.9365 |
31 | MLA | 0.9359 |
32 | FLA | 0.9351 |
33 | VAH | 0.9350 |
34 | HYP | 0.9349 |
35 | TAR | 0.9345 |
36 | MRZ | 0.9343 |
37 | SRT | 0.9343 |
38 | DAS | 0.9341 |
39 | 69O | 0.9336 |
40 | HDA | 0.9335 |
41 | UY7 | 0.9334 |
42 | TMH | 0.9330 |
43 | TLA | 0.9324 |
44 | PRS | 0.9322 |
45 | NXA | 0.9321 |
46 | THE | 0.9319 |
47 | JBN | 0.9314 |
48 | 9TY | 0.9296 |
49 | SIN | 0.9293 |
50 | TP5 | 0.9283 |
51 | AHB | 0.9279 |
52 | 2AS | 0.9270 |
53 | 1DQ | 0.9267 |
54 | T2C | 0.9265 |
55 | FUM | 0.9257 |
56 | PBE | 0.9251 |
57 | JZ5 | 0.9248 |
58 | 1DU | 0.9246 |
59 | BAM | 0.9246 |
60 | NMG | 0.9245 |
61 | MAE | 0.9243 |
62 | ILE | 0.9237 |
63 | BEZ | 0.9237 |
64 | VGL | 0.9235 |
65 | BEN | 0.9231 |
66 | ROR | 0.9226 |
67 | 8EZ | 0.9225 |
68 | 9X7 | 0.9225 |
69 | SNE | 0.9220 |
70 | NIO | 0.9216 |
71 | 5AC | 0.9213 |
72 | DSN | 0.9211 |
73 | SMB | 0.9210 |
74 | NTN | 0.9208 |
75 | SER | 0.9203 |
76 | 6PC | 0.9203 |
77 | GAG | 0.9195 |
78 | TEO | 0.9195 |
79 | 3V4 | 0.9194 |
80 | NCA | 0.9193 |
81 | 34V | 0.9193 |
82 | GBD | 0.9188 |
83 | KG7 | 0.9186 |
84 | RUU | 0.9185 |
85 | KPL | 0.9184 |
86 | HSE | 0.9176 |
87 | JZ7 | 0.9172 |
88 | 2RA | 0.9168 |
89 | SS1 | 0.9168 |
90 | LEU | 0.9167 |
91 | GG6 | 0.9160 |
92 | CP | 0.9159 |
93 | 51F | 0.9155 |
94 | 2RH | 0.9155 |
95 | PAE | 0.9154 |
96 | 60P | 0.9152 |
97 | OXQ | 0.9152 |
98 | JYD | 0.9152 |
99 | HY3 | 0.9146 |
100 | 9YL | 0.9143 |
101 | TZC | 0.9142 |
102 | HCS | 0.9141 |
103 | 282 | 0.9137 |
104 | 40E | 0.9136 |
105 | C21 | 0.9134 |
106 | XBT | 0.9133 |
107 | 4CS | 0.9131 |
108 | MZ0 | 0.9130 |
109 | 03W | 0.9128 |
110 | CNL | 0.9127 |
111 | RIP | 0.9117 |
112 | 5FX | 0.9116 |
113 | PYC | 0.9113 |
114 | IVA | 0.9111 |
115 | XUL | 0.9111 |
116 | RBL | 0.9106 |
117 | DTL | 0.9106 |
118 | DMG | 0.9105 |
119 | APY | 0.9104 |
120 | PRI | 0.9103 |
121 | 39J | 0.9102 |
122 | QSC | 0.9101 |
123 | PZA | 0.9100 |
124 | MLM | 0.9100 |
125 | PBC | 0.9100 |
126 | CYS | 0.9100 |
127 | C5J | 0.9099 |
128 | HIU | 0.9098 |
129 | DGY | 0.9098 |
130 | AMC | 0.9097 |
131 | CHT | 0.9096 |
132 | HYA | 0.9095 |
133 | NVI | 0.9094 |
134 | PZI | 0.9093 |
135 | MAK | 0.9092 |
136 | DAB | 0.9091 |
137 | ISZ | 0.9089 |
138 | COI | 0.9089 |
139 | SPA | 0.9084 |
140 | 3PY | 0.9084 |
141 | PAV | 0.9080 |
142 | OEM | 0.9080 |
143 | MUC | 0.9080 |
144 | 2KT | 0.9078 |
145 | SMV | 0.9076 |
146 | 3SY | 0.9075 |
147 | IMR | 0.9073 |
148 | NCM | 0.9073 |
149 | FUB | 0.9072 |
150 | MRY | 0.9069 |
151 | M6W | 0.9067 |
152 | IHG | 0.9067 |
153 | 3HR | 0.9063 |
154 | DE2 | 0.9063 |
155 | XLS | 0.9061 |
156 | SKG | 0.9060 |
157 | LER | 0.9059 |
158 | RSF | 0.9056 |
159 | 4MV | 0.9055 |
160 | TZE | 0.9055 |
161 | RB0 | 0.9047 |
162 | RB5 | 0.9047 |
163 | XYL | 0.9047 |
164 | HUI | 0.9046 |
165 | SS2 | 0.9044 |
166 | EHM | 0.9044 |
167 | SYN | 0.9042 |
168 | NVA | 0.9041 |
169 | A3B | 0.9040 |
170 | 4SV | 0.9040 |
171 | R2B | 0.9035 |
172 | R1X | 0.9035 |
173 | TZL | 0.9034 |
174 | ZBT | 0.9034 |
175 | 3U4 | 0.9034 |
176 | HBX | 0.9032 |
177 | FPI | 0.9031 |
178 | PAF | 0.9030 |
179 | HSM | 0.9029 |
180 | 23W | 0.9025 |
181 | DMV | 0.9025 |
182 | SAL | 0.9025 |
183 | QY9 | 0.9019 |
184 | AAE | 0.9019 |
185 | GLL | 0.9018 |
186 | ABN | 0.9014 |
187 | LDU | 0.9012 |
188 | QDK | 0.9010 |
189 | Z6J | 0.9009 |
190 | DBB | 0.9009 |
191 | BE2 | 0.9002 |
192 | C2N | 0.9002 |
193 | PEP | 0.9002 |
194 | PGA | 0.8997 |
195 | PEL | 0.8996 |
196 | 3SK | 0.8994 |
197 | TAY | 0.8991 |
198 | OXZ | 0.8986 |
199 | 1WD | 0.8984 |
200 | HY1 | 0.8984 |
201 | FCN | 0.8984 |
202 | 4DX | 0.8983 |
203 | 40O | 0.8979 |
204 | NMJ | 0.8977 |
205 | KMT | 0.8976 |
206 | AC0 | 0.8976 |
207 | FAC | 0.8976 |
208 | ES6 | 0.8975 |
209 | EDG | 0.8975 |
210 | HX2 | 0.8974 |
211 | BDR | 0.8972 |
212 | JZ9 | 0.8972 |
213 | XYS | 0.8971 |
214 | 3HL | 0.8970 |
215 | FSG | 0.8969 |
216 | ICF | 0.8969 |
217 | H95 | 0.8969 |
218 | 1AB | 0.8966 |
219 | CSS | 0.8965 |
220 | PMB | 0.8965 |
221 | I2M | 0.8964 |
222 | 7WG | 0.8962 |
223 | 3SL | 0.8955 |
224 | 0MK | 0.8954 |
225 | 278 | 0.8953 |
226 | BVG | 0.8952 |
227 | IDM | 0.8951 |
228 | P2D | 0.8950 |
229 | 271 | 0.8949 |
230 | 1SP | 0.8944 |
231 | AHR | 0.8943 |
232 | 1DV | 0.8942 |
233 | 98J | 0.8941 |
234 | SSN | 0.8939 |
235 | SC2 | 0.8938 |
236 | JAB | 0.8938 |
237 | VNJ | 0.8938 |
238 | HIO | 0.8937 |
239 | K6H | 0.8936 |
240 | IP0 | 0.8935 |
241 | RNS | 0.8935 |
242 | HVQ | 0.8935 |
243 | FPY | 0.8934 |
244 | HV2 | 0.8934 |
245 | IT2 | 0.8931 |
246 | GUA | 0.8928 |
247 | GLU | 0.8928 |
248 | UYA | 0.8926 |
249 | RSO | 0.8923 |
250 | MPD | 0.8921 |
251 | DCY | 0.8921 |
252 | YHO | 0.8919 |
253 | 7N0 | 0.8918 |
254 | CAM | 0.8917 |
255 | 2CO | 0.8914 |
256 | ICN | 0.8911 |
257 | 2TQ | 0.8911 |
258 | CIZ | 0.8910 |
259 | KYD | 0.8910 |
260 | ARB | 0.8909 |
261 | 280 | 0.8908 |
262 | FPK | 0.8908 |
263 | JKE | 0.8905 |
264 | DCL | 0.8904 |
265 | O7U | 0.8904 |
266 | SAT | 0.8904 |
267 | PAC | 0.8903 |
268 | ABA | 0.8901 |
269 | 7WV | 0.8900 |
270 | 1MR | 0.8898 |
271 | 54D | 0.8893 |
272 | DPF | 0.8893 |
273 | SVJ | 0.8891 |
274 | BNS | 0.8890 |
275 | HPY | 0.8889 |
276 | AKG | 0.8879 |
277 | NBE | 0.8879 |
278 | ODV | 0.8878 |
279 | FW5 | 0.8877 |
280 | PYJ | 0.8876 |
281 | 9RW | 0.8868 |
282 | IPU | 0.8864 |
283 | PPR | 0.8864 |
284 | PPF | 0.8863 |
285 | 4RW | 0.8862 |
286 | PTO | 0.8862 |
287 | TNE | 0.8860 |
288 | PPV | 0.8859 |
289 | 6M4 | 0.8856 |
290 | TB6 | 0.8855 |
291 | ABE | 0.8855 |
292 | RIB | 0.8855 |
293 | 3OC | 0.8855 |
294 | MET | 0.8854 |
295 | DFU | 0.8854 |
296 | LRH | 0.8850 |
297 | SMN | 0.8850 |
298 | URA | 0.8847 |
299 | M58 | 0.8843 |
300 | PEQ | 0.8843 |
301 | FEH | 0.8840 |
302 | SPV | 0.8839 |
303 | PEA | 0.8839 |
304 | PY7 | 0.8834 |
305 | 2EZ | 0.8825 |
306 | CEE | 0.8813 |
307 | 0V5 | 0.8813 |
308 | BAE | 0.8811 |
309 | DCD | 0.8811 |
310 | ASC | 0.8810 |
311 | SYG | 0.8809 |
312 | 7A8 | 0.8809 |
313 | WBU | 0.8809 |
314 | FJO | 0.8808 |
315 | 8X3 | 0.8807 |
316 | URF | 0.8806 |
317 | IZC | 0.8804 |
318 | DEN | 0.8801 |
319 | URP | 0.8801 |
320 | OK7 | 0.8800 |
321 | 2XX | 0.8799 |
322 | JZ1 | 0.8797 |
323 | LNO | 0.8791 |
324 | AOA | 0.8789 |
325 | 2FT | 0.8787 |
326 | OAF | 0.8783 |
327 | BAL | 0.8783 |
328 | BVC | 0.8781 |
329 | S0H | 0.8781 |
330 | 32O | 0.8780 |
331 | LZ1 | 0.8779 |
332 | 2DR | 0.8775 |
333 | PAH | 0.8775 |
334 | 2HE | 0.8772 |
335 | POA | 0.8771 |
336 | RNT | 0.8770 |
337 | FB2 | 0.8767 |
338 | CFI | 0.8766 |
339 | MNN | 0.8757 |
340 | 4PW | 0.8755 |
341 | 1DJ | 0.8752 |
342 | 9CL | 0.8748 |
343 | 1P3 | 0.8748 |
344 | 8EW | 0.8747 |
345 | KDF | 0.8745 |
346 | 26D | 0.8745 |
347 | 4JU | 0.8743 |
348 | OHG | 0.8742 |
349 | 6JN | 0.8737 |
350 | 9X6 | 0.8736 |
351 | PCT | 0.8735 |
352 | BHO | 0.8733 |
353 | ICC | 0.8733 |
354 | TAU | 0.8732 |
355 | DUC | 0.8730 |
356 | 5HY | 0.8727 |
357 | GOL | 0.8721 |
358 | 3DY | 0.8721 |
359 | GLN | 0.8715 |
360 | AGK | 0.8715 |
361 | BTL | 0.8713 |
362 | ARA | 0.8711 |
363 | RHU | 0.8710 |
364 | RMN | 0.8707 |
365 | XAP | 0.8702 |
366 | 2PG | 0.8700 |
367 | GRO | 0.8697 |
368 | 2MH | 0.8692 |
369 | SEJ | 0.8691 |
370 | B24 | 0.8690 |
371 | IFL | 0.8690 |
372 | HHA | 0.8690 |
373 | DTT | 0.8688 |
374 | GIF | 0.8687 |
375 | RAM | 0.8685 |
376 | 7VD | 0.8680 |
377 | FA1 | 0.8678 |
378 | 13P | 0.8677 |
379 | HIS | 0.8676 |
380 | FQI | 0.8673 |
381 | P7I | 0.8670 |
382 | 2AL | 0.8668 |
383 | PYF | 0.8665 |
384 | YTB | 0.8663 |
385 | 2PN | 0.8661 |
386 | CRS | 0.8660 |
387 | NK2 | 0.8655 |
388 | 1LN | 0.8654 |
389 | AZF | 0.8653 |
390 | H3M | 0.8650 |
391 | NIZ | 0.8647 |
392 | NEQ | 0.8641 |
393 | IFM | 0.8640 |
394 | ECE | 0.8637 |
395 | GXV | 0.8633 |
396 | BP9 | 0.8629 |
397 | IT9 | 0.8629 |
398 | DGJ | 0.8626 |
399 | XM0 | 0.8621 |
400 | MXN | 0.8608 |
401 | NK | 0.8607 |
402 | I1E | 0.8603 |
403 | DTU | 0.8600 |
404 | SKJ | 0.8597 |
405 | T9G | 0.8597 |
406 | FBV | 0.8597 |
407 | DMJ | 0.8595 |
408 | IDH | 0.8595 |
409 | TDR | 0.8594 |
410 | WOT | 0.8590 |
411 | 285 | 0.8589 |
412 | FB1 | 0.8580 |
413 | BUA | 0.8580 |
414 | 4XR | 0.8577 |
415 | MCT | 0.8567 |
416 | 4HO | 0.8562 |
417 | IPM | 0.8561 |
418 | 284 | 0.8559 |
419 | TH0 | 0.8558 |
420 | FBA | 0.8557 |
421 | HQE | 0.8554 |
422 | 3GR | 0.8552 |
423 | TCM | 0.8551 |
424 | 1MC | 0.8551 |
425 | DYT | 0.8551 |
426 | 911 | 0.8533 |
427 | MSE | 0.8526 |
428 | DA1 | 0.8508 |
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 |