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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 | 1GM7 | - | PNN | C16 H18 N2 O4 S | CC1([C@@H].... |
2 | 1K7D | Ki = 0.47 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
3 | 1AJQ | Ki = 0.049 mM | SPA | C6 H6 O2 S | c1cc(sc1)C.... |
4 | 1KEC | Ki = 0.2 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
5 | 1GM9 | - | SOX | C16 H20 N2 O5 S | CC1([C@@H].... |
6 | 1AI5 | Ki = 0.189 mM | MNP | C8 H7 N O4 | c1cc(cc(c1.... |
7 | 1AJN | Ki = 2.32 mM | AAN | C8 H7 N O4 | c1cc(ccc1C.... |
8 | 1PNL | - | PAC | C8 H8 O2 | c1ccc(cc1).... |
9 | 1K5Q | Ki = 1.1 mM | PAC | C8 H8 O2 | c1ccc(cc1).... |
10 | 1FXH | - | PAC | C8 H8 O2 | c1ccc(cc1).... |
11 | 1AI4 | Ki = 3.13 mM | DHY | C8 H8 O4 | c1cc(c(cc1.... |
12 | 1FXV | - | PNN | C16 H18 N2 O4 S | CC1([C@@H].... |
13 | 1AJP | Ki = 5.85 mM | OMD | C8 H8 O4 | c1cc(c(cc1.... |
14 | 1K5S | Ki = 0.124 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
15 | 1GM8 | - | SOX | C16 H20 N2 O5 S | CC1([C@@H].... |
16 | 1AI7 | Ki = 0.082 mM | IPH | C6 H6 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1GM7 | - | PNN | C16 H18 N2 O4 S | CC1([C@@H].... |
2 | 1K7D | Ki = 0.47 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
3 | 1AJQ | Ki = 0.049 mM | SPA | C6 H6 O2 S | c1cc(sc1)C.... |
4 | 1KEC | Ki = 0.2 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
5 | 1GM9 | - | SOX | C16 H20 N2 O5 S | CC1([C@@H].... |
6 | 1AI5 | Ki = 0.189 mM | MNP | C8 H7 N O4 | c1cc(cc(c1.... |
7 | 1AJN | Ki = 2.32 mM | AAN | C8 H7 N O4 | c1cc(ccc1C.... |
8 | 1PNL | - | PAC | C8 H8 O2 | c1ccc(cc1).... |
9 | 1K5Q | Ki = 1.1 mM | PAC | C8 H8 O2 | c1ccc(cc1).... |
10 | 1FXH | - | PAC | C8 H8 O2 | c1ccc(cc1).... |
11 | 1AI4 | Ki = 3.13 mM | DHY | C8 H8 O4 | c1cc(c(cc1.... |
12 | 1FXV | - | PNN | C16 H18 N2 O4 S | CC1([C@@H].... |
13 | 1AJP | Ki = 5.85 mM | OMD | C8 H8 O4 | c1cc(c(cc1.... |
14 | 1K5S | Ki = 0.124 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
15 | 1GM8 | - | SOX | C16 H20 N2 O5 S | CC1([C@@H].... |
16 | 1AI7 | Ki = 0.082 mM | IPH | C6 H6 O | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PAC | 0.9788 |
2 | IZC | 0.9779 |
3 | SIN | 0.9714 |
4 | I4B | 0.9676 |
5 | QY9 | 0.9644 |
6 | RSO | 0.9628 |
7 | HSM | 0.9558 |
8 | JZ5 | 0.9552 |
9 | BEZ | 0.9545 |
10 | IOM | 0.9538 |
11 | HY1 | 0.9535 |
12 | FUM | 0.9530 |
13 | GLU | 0.9516 |
14 | ITN | 0.9514 |
15 | PMB | 0.9511 |
16 | PEL | 0.9501 |
17 | ASP | 0.9492 |
18 | PZI | 0.9490 |
19 | OAA | 0.9486 |
20 | 9ON | 0.9485 |
21 | SMN | 0.9479 |
22 | LMR | 0.9479 |
23 | FAN | 0.9479 |
24 | XM0 | 0.9476 |
25 | 6PC | 0.9474 |
26 | TEO | 0.9472 |
27 | BEN | 0.9472 |
28 | URS | 0.9467 |
29 | FB2 | 0.9467 |
30 | GRO | 0.9462 |
31 | 271 | 0.9459 |
32 | NCA | 0.9454 |
33 | NTN | 0.9450 |
34 | BAM | 0.9447 |
35 | PHU | 0.9442 |
36 | HSO | 0.9442 |
37 | 9RW | 0.9439 |
38 | K7M | 0.9439 |
39 | 7WG | 0.9422 |
40 | MUC | 0.9420 |
41 | MNN | 0.9420 |
42 | PRO | 0.9419 |
43 | GGL | 0.9416 |
44 | NIO | 0.9413 |
45 | DGL | 0.9411 |
46 | 2IT | 0.9411 |
47 | PBC | 0.9408 |
48 | MLT | 0.9405 |
49 | GLY GLY | 0.9402 |
50 | PCA | 0.9396 |
51 | PMF | 0.9394 |
52 | TPA | 0.9390 |
53 | MAE | 0.9389 |
54 | HIS | 0.9384 |
55 | HDA | 0.9383 |
56 | COI | 0.9378 |
57 | NIZ | 0.9376 |
58 | 1DU | 0.9372 |
59 | VGL | 0.9372 |
60 | K34 | 0.9369 |
61 | CXF | 0.9368 |
62 | ISZ | 0.9361 |
63 | OK7 | 0.9359 |
64 | RMN | 0.9358 |
65 | 268 | 0.9356 |
66 | ZBT | 0.9354 |
67 | TZL | 0.9354 |
68 | PEA | 0.9352 |
69 | FK8 | 0.9351 |
70 | 2PC | 0.9343 |
71 | 173 | 0.9339 |
72 | FOA | 0.9335 |
73 | CFI | 0.9332 |
74 | SYC | 0.9328 |
75 | NYL | 0.9320 |
76 | NBZ | 0.9320 |
77 | UNU | 0.9319 |
78 | T2C | 0.9318 |
79 | OHP | 0.9311 |
80 | TAR | 0.9311 |
81 | S2G | 0.9307 |
82 | HCI | 0.9307 |
83 | HX2 | 0.9305 |
84 | YCP | 0.9302 |
85 | H95 | 0.9302 |
86 | CRN | 0.9301 |
87 | SMV | 0.9301 |
88 | HYP | 0.9301 |
89 | MRZ | 0.9300 |
90 | NPO | 0.9298 |
91 | 3OC | 0.9296 |
92 | AKG | 0.9296 |
93 | SRT | 0.9295 |
94 | PHB | 0.9295 |
95 | PGA | 0.9294 |
96 | PZA | 0.9294 |
97 | KTA | 0.9293 |
98 | R9M | 0.9292 |
99 | GJZ | 0.9290 |
100 | TP5 | 0.9289 |
101 | ZGL | 0.9283 |
102 | TFB | 0.9279 |
103 | M6W | 0.9278 |
104 | LEU | 0.9276 |
105 | TLA | 0.9275 |
106 | 1Y6 | 0.9274 |
107 | URP | 0.9272 |
108 | TZE | 0.9267 |
109 | JBN | 0.9264 |
110 | B40 | 0.9260 |
111 | HCS | 0.9259 |
112 | B85 | 0.9257 |
113 | GAB | 0.9256 |
114 | 49F | 0.9253 |
115 | 3AB | 0.9250 |
116 | 3QM | 0.9246 |
117 | M4T | 0.9244 |
118 | 98J | 0.9243 |
119 | 4MV | 0.9243 |
120 | 273 | 0.9239 |
121 | 2HG | 0.9238 |
122 | QSC | 0.9236 |
123 | J0Z | 0.9232 |
124 | 4MA | 0.9230 |
125 | HPS | 0.9229 |
126 | SPV | 0.9229 |
127 | BNF | 0.9228 |
128 | R9S | 0.9226 |
129 | OGA | 0.9223 |
130 | PRA | 0.9220 |
131 | PAB | 0.9220 |
132 | I1E | 0.9219 |
133 | IHG | 0.9211 |
134 | PEP | 0.9211 |
135 | CEE | 0.9209 |
136 | 1DQ | 0.9208 |
137 | BHO | 0.9207 |
138 | TSU | 0.9205 |
139 | TIU | 0.9202 |
140 | JYD | 0.9201 |
141 | 3HB | 0.9201 |
142 | M3H | 0.9200 |
143 | HBX | 0.9200 |
144 | BNS | 0.9199 |
145 | SYN | 0.9198 |
146 | N4B | 0.9198 |
147 | 13P | 0.9191 |
148 | XBT | 0.9186 |
149 | HZP | 0.9183 |
150 | GLL | 0.9180 |
151 | PBZ | 0.9176 |
152 | SS2 | 0.9174 |
153 | Z82 | 0.9173 |
154 | 51F | 0.9163 |
155 | 3SL | 0.9162 |
156 | M58 | 0.9162 |
157 | 1DV | 0.9161 |
158 | GUA | 0.9160 |
159 | CMS | 0.9159 |
160 | FCR | 0.9158 |
161 | 54D | 0.9158 |
162 | ABN | 0.9155 |
163 | UY7 | 0.9151 |
164 | HBA | 0.9150 |
165 | SW7 | 0.9150 |
166 | OSE | 0.9147 |
167 | PG3 | 0.9141 |
168 | 4FA | 0.9140 |
169 | YRL | 0.9140 |
170 | 7A8 | 0.9134 |
171 | P72 | 0.9133 |
172 | FP1 | 0.9130 |
173 | 0VT | 0.9128 |
174 | 2PG | 0.9126 |
175 | UGC | 0.9123 |
176 | PGH | 0.9122 |
177 | IQ0 | 0.9120 |
178 | OKG | 0.9119 |
179 | 8OZ | 0.9116 |
180 | FPI | 0.9115 |
181 | 258 | 0.9115 |
182 | 7N0 | 0.9112 |
183 | SAN | 0.9109 |
184 | Q9Z | 0.9106 |
185 | 1SA | 0.9105 |
186 | MLI | 0.9103 |
187 | NMJ | 0.9102 |
188 | KMH | 0.9101 |
189 | AC6 | 0.9101 |
190 | 3HG | 0.9100 |
191 | ILE | 0.9098 |
192 | S8V | 0.9097 |
193 | GLN | 0.9097 |
194 | IPU | 0.9096 |
195 | DS0 | 0.9092 |
196 | DGN | 0.9092 |
197 | AEG | 0.9091 |
198 | SNE | 0.9090 |
199 | XCZ | 0.9090 |
200 | DAS | 0.9089 |
201 | FEH | 0.9089 |
202 | PRS | 0.9089 |
203 | TYL | 0.9088 |
204 | G3H | 0.9088 |
205 | PYC | 0.9087 |
206 | HTX | 0.9086 |
207 | MXN | 0.9085 |
208 | NMG | 0.9084 |
209 | AC5 | 0.9084 |
210 | HBD | 0.9077 |
211 | RBJ | 0.9077 |
212 | AEF | 0.9077 |
213 | OEG | 0.9077 |
214 | 1LN | 0.9076 |
215 | PYJ | 0.9074 |
216 | AAS | 0.9074 |
217 | QMP | 0.9073 |
218 | SS1 | 0.9072 |
219 | BHH | 0.9066 |
220 | SEP | 0.9065 |
221 | SHF | 0.9065 |
222 | F9P | 0.9064 |
223 | 4CS | 0.9061 |
224 | 4NC | 0.9059 |
225 | 2CO | 0.9055 |
226 | X1S | 0.9055 |
227 | 0V5 | 0.9055 |
228 | PRY | 0.9052 |
229 | AMC | 0.9052 |
230 | R67 | 0.9050 |
231 | HYA | 0.9048 |
232 | 4HP | 0.9047 |
233 | 92K | 0.9045 |
234 | LT1 | 0.9045 |
235 | 40E | 0.9045 |
236 | FBV | 0.9043 |
237 | 3PP | 0.9042 |
238 | OVV | 0.9042 |
239 | HHI | 0.9039 |
240 | DHI | 0.9039 |
241 | SAL | 0.9037 |
242 | 2FT | 0.9037 |
243 | BSX | 0.9037 |
244 | UYA | 0.9036 |
245 | PO6 | 0.9031 |
246 | PAH | 0.9028 |
247 | 282 | 0.9027 |
248 | FBW | 0.9027 |
249 | 3U4 | 0.9025 |
250 | FOC | 0.9025 |
251 | PBA | 0.9023 |
252 | JZ4 | 0.9020 |
253 | IT2 | 0.9019 |
254 | AL0 | 0.9019 |
255 | RNT | 0.9019 |
256 | 9X7 | 0.9018 |
257 | 3NT | 0.9018 |
258 | 069 | 0.9017 |
259 | G3P | 0.9016 |
260 | 3PG | 0.9016 |
261 | JKE | 0.9016 |
262 | 2LP | 0.9015 |
263 | MLA | 0.9015 |
264 | DYA | 0.9014 |
265 | ASN | 0.9013 |
266 | 1SH | 0.9012 |
267 | BE7 | 0.9009 |
268 | EHM | 0.9008 |
269 | HVQ | 0.9007 |
270 | 3YP | 0.9006 |
271 | PPY | 0.9006 |
272 | 2CK | 0.9006 |
273 | 3SK | 0.9004 |
274 | URO | 0.9003 |
275 | AC0 | 0.9002 |
276 | RNS | 0.9001 |
277 | 51R | 0.8999 |
278 | HC4 | 0.8998 |
279 | 8K2 | 0.8998 |
280 | PSE | 0.8997 |
281 | PPR | 0.8996 |
282 | 717 | 0.8995 |
283 | PIM | 0.8991 |
284 | 4JT | 0.8991 |
285 | 6NA | 0.8987 |
286 | 1MR | 0.8985 |
287 | APY | 0.8984 |
288 | 1GP | 0.8983 |
289 | LLQ | 0.8980 |
290 | 23W | 0.8979 |
291 | 3BZ | 0.8975 |
292 | PIY | 0.8971 |
293 | NCT | 0.8971 |
294 | 4P5 | 0.8968 |
295 | DPN | 0.8965 |
296 | CP | 0.8964 |
297 | FBS | 0.8964 |
298 | B24 | 0.8963 |
299 | RUY | 0.8960 |
300 | DYT | 0.8960 |
301 | BZX | 0.8960 |
302 | 14J | 0.8957 |
303 | SYM | 0.8957 |
304 | IXW | 0.8954 |
305 | 264 | 0.8953 |
306 | THE | 0.8951 |
307 | MEQ | 0.8951 |
308 | 2RH | 0.8949 |
309 | 2AL | 0.8949 |
310 | NBE | 0.8946 |
311 | NM3 | 0.8946 |
312 | K6H | 0.8944 |
313 | ABU | 0.8937 |
314 | 2EZ | 0.8936 |
315 | SSN | 0.8936 |
316 | 261 | 0.8935 |
317 | 3HP | 0.8933 |
318 | FA1 | 0.8932 |
319 | PY7 | 0.8931 |
320 | PEQ | 0.8930 |
321 | 7VD | 0.8929 |
322 | BVC | 0.8926 |
323 | FBJ | 0.8923 |
324 | DHS | 0.8923 |
325 | GZ3 | 0.8917 |
326 | 9CL | 0.8917 |
327 | FBM | 0.8917 |
328 | 2AS | 0.8916 |
329 | 23J | 0.8914 |
330 | R2B | 0.8910 |
331 | HHH | 0.8910 |
332 | M45 | 0.8909 |
333 | AMS | 0.8908 |
334 | 3BU | 0.8908 |
335 | R1X | 0.8908 |
336 | DPR | 0.8906 |
337 | XUL | 0.8906 |
338 | APG | 0.8906 |
339 | ICB | 0.8905 |
340 | XLS | 0.8901 |
341 | IMR | 0.8901 |
342 | HHA | 0.8898 |
343 | Q02 | 0.8897 |
344 | J9T | 0.8897 |
345 | HFA | 0.8896 |
346 | 1AB | 0.8891 |
347 | GP9 | 0.8888 |
348 | 4J8 | 0.8887 |
349 | JAB | 0.8885 |
350 | 4LR | 0.8882 |
351 | C2B | 0.8881 |
352 | HF2 | 0.8877 |
353 | 3V4 | 0.8876 |
354 | AT3 | 0.8874 |
355 | 7WV | 0.8872 |
356 | XRG | 0.8870 |
357 | CCE | 0.8870 |
358 | HIO | 0.8867 |
359 | 5AC | 0.8867 |
360 | MZ0 | 0.8863 |
361 | 449 | 0.8862 |
362 | 5FX | 0.8861 |
363 | JF6 | 0.8860 |
364 | DAL DAL | 0.8856 |
365 | PHE | 0.8854 |
366 | ACH | 0.8853 |
367 | XYL | 0.8852 |
368 | CXP | 0.8852 |
369 | OMD | 0.8850 |
370 | 8GC | 0.8850 |
371 | OPE | 0.8849 |
372 | DHY | 0.8848 |
373 | AG2 | 0.8845 |
374 | FSG | 0.8843 |
375 | PYF | 0.8841 |
376 | S0H | 0.8841 |
377 | SC2 | 0.8839 |
378 | OHG | 0.8839 |
379 | GWM | 0.8835 |
380 | GVG | 0.8835 |
381 | Q03 | 0.8830 |
382 | TYE | 0.8830 |
383 | FBA | 0.8825 |
384 | RBL | 0.8824 |
385 | MLM | 0.8823 |
386 | FQI | 0.8821 |
387 | OTR | 0.8820 |
388 | T9G | 0.8818 |
389 | MES | 0.8817 |
390 | LEA | 0.8816 |
391 | AX7 | 0.8809 |
392 | DQY | 0.8803 |
393 | HQ9 | 0.8800 |
394 | ASC | 0.8799 |
395 | 7BC | 0.8797 |
396 | 263 | 0.8796 |
397 | KIV | 0.8795 |
398 | S2P | 0.8794 |
399 | 2CL | 0.8788 |
400 | 45L | 0.8788 |
401 | XX2 | 0.8782 |
402 | 4PN | 0.8781 |
403 | GLY ALA | 0.8781 |
404 | JFJ | 0.8778 |
405 | PAE | 0.8778 |
406 | 3C4 | 0.8773 |
407 | NFA | 0.8767 |
408 | FB1 | 0.8763 |
409 | 4JL | 0.8757 |
410 | 3S5 | 0.8752 |
411 | BVG | 0.8751 |
412 | LNO | 0.8747 |
413 | PRI | 0.8746 |
414 | PCT | 0.8744 |
415 | 42J | 0.8739 |
416 | C2A | 0.8735 |
417 | SYG | 0.8733 |
418 | HY3 | 0.8731 |
419 | DE5 | 0.8731 |
420 | C5J | 0.8727 |
421 | SHI | 0.8726 |
422 | 5HN | 0.8724 |
423 | G2H | 0.8723 |
424 | CYX | 0.8712 |
425 | DTL | 0.8708 |
426 | 270 | 0.8699 |
427 | RAT | 0.8698 |
428 | AOT | 0.8697 |
429 | NLE | 0.8695 |
430 | ABV | 0.8695 |
431 | AS3 | 0.8689 |
432 | 52C | 0.8689 |
433 | OEM | 0.8687 |
434 | N2Z | 0.8685 |
435 | EDG | 0.8683 |
436 | BUB | 0.8681 |
437 | 9X6 | 0.8675 |
438 | WCE | 0.8675 |
439 | 265 | 0.8673 |
440 | 3HL | 0.8670 |
441 | 53C | 0.8668 |
442 | SJ5 | 0.8667 |
443 | MED | 0.8664 |
444 | LDP | 0.8661 |
445 | ORN | 0.8661 |
446 | ISD | 0.8658 |
447 | IP0 | 0.8657 |
448 | BRT | 0.8653 |
449 | ICF | 0.8647 |
450 | 2MI | 0.8642 |
451 | TH7 | 0.8641 |
452 | P58 | 0.8641 |
453 | AAE | 0.8640 |
454 | PH3 | 0.8639 |
455 | 286 | 0.8628 |
456 | HSE | 0.8627 |
457 | P92 | 0.8627 |
458 | FUD | 0.8624 |
459 | MRY | 0.8623 |
460 | SD4 | 0.8620 |
461 | SAT | 0.8619 |
462 | M6H | 0.8619 |
463 | 14O | 0.8618 |
464 | RIB | 0.8616 |
465 | J9N | 0.8616 |
466 | PKU | 0.8612 |
467 | PC | 0.8609 |
468 | 5H1 | 0.8608 |
469 | JZ1 | 0.8606 |
470 | LYL | 0.8596 |
471 | NK2 | 0.8595 |
472 | VNJ | 0.8593 |
473 | 826 | 0.8581 |
474 | LDU | 0.8579 |
475 | 41K | 0.8579 |
476 | GOJ | 0.8572 |
477 | 4NG | 0.8561 |
478 | 56D | 0.8561 |
479 | SGL | 0.8544 |
480 | 152 | 0.8539 |
481 | AHB | 0.8533 |
482 | QUS | 0.8533 |
483 | GG6 | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 1ajq.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |