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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 | 1N22 | - | 7A8 | C9 H17 N | CC1=CC[C@@.... |
2 | 1N20 | - | 3AG | C9 H18 N O7 P2 | CC(=CCC[N@.... |
3 | 1N23 | - | 2BN | C9 H17 N | CC1([C@@H].... |
4 | 1N24 | - | BP2 | C10 H17 O7 P2 | CC1([C@@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1N22 | - | 7A8 | C9 H17 N | CC1=CC[C@@.... |
2 | 1N20 | - | 3AG | C9 H18 N O7 P2 | CC(=CCC[N@.... |
3 | 1N23 | - | 2BN | C9 H17 N | CC1([C@@H].... |
4 | 1N24 | - | BP2 | C10 H17 O7 P2 | CC1([C@@H].... |
5 | 3M02 | - | 2CF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
6 | 3LZ9 | - | FPF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
7 | 4RNQ | - | A4S | C16 H25 N O7 P2 | C/C(=CCOP(.... |
8 | 5IKH | - | 6BW | C15 H24 | C[C@@H]1CC.... |
9 | 5IK6 | - | CRE | C15 H24 | CC1=CCCC(=.... |
10 | 5EAU | - | FFF | C15 H25 F3 O7 P2 | CC(=CCC/C(.... |
11 | 1HXA | - | FHP | C15 H27 O4 P | CC(=CCC/C(.... |
12 | 5IK0 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
13 | 3M00 | - | 2CF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
14 | 6O9P | - | BFQ | C9 H23 N O7 P2 | CCCCC[N@](.... |
15 | 5UV1 | Ki = 2.4 uM | 0FV | C10 H19 F O7 P2 | CC(=CCC/C(.... |
16 | 5UV2 | Ki = 39.5 uM | LA6 | C10 H19 F O7 P2 | CC(=CCC/C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7A8 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AC6 | 1.0000 |
2 | BEZ | 0.9826 |
3 | HBA | 0.9800 |
4 | BEN | 0.9790 |
5 | BAM | 0.9754 |
6 | 6PC | 0.9750 |
7 | 4VP | 0.9733 |
8 | NIO | 0.9681 |
9 | QSC | 0.9662 |
10 | 4NC | 0.9660 |
11 | PZA | 0.9613 |
12 | FBA | 0.9587 |
13 | ISZ | 0.9582 |
14 | HDH | 0.9551 |
15 | OAA | 0.9528 |
16 | 7N0 | 0.9524 |
17 | 4JL | 0.9511 |
18 | C2B | 0.9478 |
19 | BNS | 0.9461 |
20 | AMH | 0.9460 |
21 | CXF | 0.9451 |
22 | MRZ | 0.9447 |
23 | 2CO | 0.9444 |
24 | 4FA | 0.9435 |
25 | HMH | 0.9434 |
26 | GUA | 0.9426 |
27 | GLL | 0.9425 |
28 | PCA | 0.9414 |
29 | YRL | 0.9395 |
30 | SS1 | 0.9390 |
31 | KOJ | 0.9374 |
32 | YCP | 0.9358 |
33 | TLA | 0.9356 |
34 | 1SA | 0.9337 |
35 | 3V4 | 0.9334 |
36 | RSO | 0.9322 |
37 | AEF | 0.9317 |
38 | AMC | 0.9311 |
39 | FBM | 0.9299 |
40 | AKG | 0.9297 |
41 | HMU | 0.9297 |
42 | M58 | 0.9294 |
43 | DHS | 0.9288 |
44 | MUC | 0.9284 |
45 | GJZ | 0.9284 |
46 | BP9 | 0.9283 |
47 | OTR | 0.9276 |
48 | 4XR | 0.9273 |
49 | COI | 0.9268 |
50 | LDP | 0.9266 |
51 | PRO | 0.9264 |
52 | 98J | 0.9261 |
53 | XM0 | 0.9260 |
54 | SRT | 0.9255 |
55 | 7WG | 0.9255 |
56 | SYN | 0.9255 |
57 | GLU | 0.9254 |
58 | JZ5 | 0.9253 |
59 | ILE | 0.9250 |
60 | ASP | 0.9247 |
61 | EDG | 0.9238 |
62 | MXN | 0.9237 |
63 | DHR | 0.9236 |
64 | 449 | 0.9235 |
65 | HYP | 0.9234 |
66 | SNE | 0.9233 |
67 | RBJ | 0.9232 |
68 | MLT | 0.9229 |
69 | 3SL | 0.9223 |
70 | 2PC | 0.9222 |
71 | IT2 | 0.9217 |
72 | 271 | 0.9216 |
73 | TAR | 0.9213 |
74 | LMR | 0.9212 |
75 | 24B | 0.9202 |
76 | ASN | 0.9199 |
77 | FEH | 0.9199 |
78 | MAE | 0.9197 |
79 | FOC | 0.9193 |
80 | ABN | 0.9192 |
81 | 3OC | 0.9188 |
82 | ZZT | 0.9181 |
83 | 4JU | 0.9180 |
84 | OGA | 0.9178 |
85 | QY9 | 0.9166 |
86 | ICB | 0.9165 |
87 | HY1 | 0.9164 |
88 | NSP | 0.9162 |
89 | PAC | 0.9160 |
90 | HZP | 0.9155 |
91 | URS | 0.9153 |
92 | PZI | 0.9153 |
93 | LEU | 0.9152 |
94 | CRN | 0.9151 |
95 | IOM | 0.9151 |
96 | TFB | 0.9150 |
97 | 1AB | 0.9150 |
98 | AZF | 0.9146 |
99 | 2MH | 0.9143 |
100 | CMS | 0.9141 |
101 | SIN | 0.9141 |
102 | FUM | 0.9140 |
103 | DGL | 0.9136 |
104 | SPA | 0.9134 |
105 | IQ0 | 0.9130 |
106 | HHH | 0.9129 |
107 | X1S | 0.9127 |
108 | R1X | 0.9125 |
109 | 8EZ | 0.9122 |
110 | 4CS | 0.9121 |
111 | GLN | 0.9119 |
112 | R2B | 0.9116 |
113 | FA1 | 0.9115 |
114 | RNS | 0.9113 |
115 | R9S | 0.9109 |
116 | PEP | 0.9108 |
117 | RNT | 0.9103 |
118 | IZC | 0.9100 |
119 | SPV | 0.9100 |
120 | PEA | 0.9099 |
121 | SEP | 0.9091 |
122 | JZ7 | 0.9091 |
123 | RBL | 0.9091 |
124 | F9P | 0.9090 |
125 | IMR | 0.9089 |
126 | PYJ | 0.9086 |
127 | XLS | 0.9083 |
128 | LNO | 0.9082 |
129 | ITN | 0.9082 |
130 | C5A | 0.9078 |
131 | I4B | 0.9076 |
132 | OKG | 0.9076 |
133 | 2IT | 0.9073 |
134 | HHA | 0.9071 |
135 | QMP | 0.9070 |
136 | 40E | 0.9069 |
137 | HYA | 0.9063 |
138 | HSO | 0.9062 |
139 | TEO | 0.9060 |
140 | LFC | 0.9059 |
141 | PRS | 0.9059 |
142 | IT9 | 0.9057 |
143 | FPI | 0.9056 |
144 | 2RH | 0.9052 |
145 | PEL | 0.9052 |
146 | VAH | 0.9051 |
147 | HDA | 0.9049 |
148 | IF7 | 0.9048 |
149 | DAS | 0.9047 |
150 | M4T | 0.9046 |
151 | URO | 0.9044 |
152 | HIS | 0.9043 |
153 | 4RW | 0.9042 |
154 | 1MR | 0.9042 |
155 | DGN | 0.9040 |
156 | RB5 | 0.9039 |
157 | TZL | 0.9039 |
158 | FUD | 0.9038 |
159 | R9M | 0.9037 |
160 | ROR | 0.9037 |
161 | UY7 | 0.9035 |
162 | Z6J | 0.9034 |
163 | 2AL | 0.9033 |
164 | PBA | 0.9029 |
165 | S2G | 0.9028 |
166 | SME | 0.9025 |
167 | ZBT | 0.9025 |
168 | OHP | 0.9023 |
169 | 2LP | 0.9017 |
170 | AEG | 0.9017 |
171 | AHR | 0.9017 |
172 | MED | 0.9017 |
173 | 173 | 0.9015 |
174 | RUU | 0.9012 |
175 | B24 | 0.9011 |
176 | MET | 0.9010 |
177 | UYA | 0.9010 |
178 | FP1 | 0.9006 |
179 | GYE | 0.9005 |
180 | DGJ | 0.9004 |
181 | 42J | 0.9002 |
182 | LDU | 0.9002 |
183 | APY | 0.9002 |
184 | R67 | 0.9002 |
185 | 5FX | 0.9000 |
186 | GAL | 0.9000 |
187 | 4HP | 0.8999 |
188 | AHB | 0.8997 |
189 | XUL | 0.8996 |
190 | 13P | 0.8995 |
191 | 261 | 0.8994 |
192 | ACH | 0.8993 |
193 | 3QM | 0.8993 |
194 | PSJ | 0.8991 |
195 | XBT | 0.8990 |
196 | IFL | 0.8988 |
197 | G3P | 0.8983 |
198 | G3H | 0.8983 |
199 | QDK | 0.8982 |
200 | 282 | 0.8980 |
201 | AL0 | 0.8979 |
202 | NXA | 0.8978 |
203 | 4MV | 0.8976 |
204 | GZL | 0.8975 |
205 | SJ5 | 0.8974 |
206 | GLO | 0.8974 |
207 | DYA | 0.8972 |
208 | MNM | 0.8970 |
209 | GOJ | 0.8968 |
210 | 2AS | 0.8967 |
211 | SMN | 0.8967 |
212 | SD4 | 0.8963 |
213 | SOL | 0.8958 |
214 | PPR | 0.8957 |
215 | NOJ | 0.8956 |
216 | G4D | 0.8956 |
217 | PGA | 0.8953 |
218 | GLC | 0.8949 |
219 | IXW | 0.8949 |
220 | THE | 0.8949 |
221 | 9CL | 0.8948 |
222 | YPN | 0.8947 |
223 | 6FZ | 0.8946 |
224 | CEE | 0.8944 |
225 | 0JD | 0.8942 |
226 | 8EW | 0.8938 |
227 | DS0 | 0.8937 |
228 | PGH | 0.8935 |
229 | GGL | 0.8935 |
230 | 15N | 0.8934 |
231 | ASC | 0.8934 |
232 | LRH | 0.8930 |
233 | NMG | 0.8926 |
234 | 2FT | 0.8925 |
235 | PO6 | 0.8925 |
236 | 23W | 0.8923 |
237 | KMH | 0.8921 |
238 | 92K | 0.8920 |
239 | 9J3 | 0.8920 |
240 | 6JN | 0.8919 |
241 | PMF | 0.8916 |
242 | 2HG | 0.8914 |
243 | 1P3 | 0.8914 |
244 | HX2 | 0.8913 |
245 | HHI | 0.8913 |
246 | BSX | 0.8911 |
247 | MEQ | 0.8910 |
248 | HSM | 0.8909 |
249 | 268 | 0.8908 |
250 | 0V5 | 0.8908 |
251 | URP | 0.8906 |
252 | EHM | 0.8904 |
253 | 1DU | 0.8902 |
254 | 9RW | 0.8901 |
255 | PPY | 0.8901 |
256 | JYD | 0.8901 |
257 | IFM | 0.8899 |
258 | RMN | 0.8899 |
259 | TZE | 0.8897 |
260 | GRO | 0.8896 |
261 | 51F | 0.8894 |
262 | 4NG | 0.8893 |
263 | 3S5 | 0.8892 |
264 | RIP | 0.8890 |
265 | 1LN | 0.8890 |
266 | MEV | 0.8890 |
267 | 3PG | 0.8888 |
268 | HY3 | 0.8886 |
269 | HIO | 0.8883 |
270 | 2HC | 0.8880 |
271 | RAT | 0.8879 |
272 | DAL DAL | 0.8879 |
273 | SKG | 0.8874 |
274 | DHI | 0.8873 |
275 | 2XX | 0.8872 |
276 | RIB | 0.8867 |
277 | HSE | 0.8866 |
278 | FK8 | 0.8864 |
279 | UGC | 0.8860 |
280 | XYL | 0.8858 |
281 | RB0 | 0.8858 |
282 | HCI | 0.8855 |
283 | FUB | 0.8853 |
284 | SOR | 0.8853 |
285 | PEQ | 0.8848 |
286 | 0VT | 0.8846 |
287 | H95 | 0.8846 |
288 | TAG | 0.8846 |
289 | SVD | 0.8845 |
290 | RM1 | 0.8844 |
291 | 34V | 0.8843 |
292 | PAH | 0.8842 |
293 | K6H | 0.8840 |
294 | XIZ | 0.8838 |
295 | 0OC | 0.8837 |
296 | PY7 | 0.8834 |
297 | QIC | 0.8833 |
298 | GZ3 | 0.8831 |
299 | CYX | 0.8828 |
300 | 8GL | 0.8828 |
301 | HL5 | 0.8828 |
302 | OEG | 0.8827 |
303 | SKJ | 0.8826 |
304 | 6CS | 0.8823 |
305 | NLE | 0.8823 |
306 | HCS | 0.8819 |
307 | 273 | 0.8819 |
308 | MTL | 0.8819 |
309 | DMJ | 0.8809 |
310 | T2C | 0.8809 |
311 | AC5 | 0.8809 |
312 | HMS | 0.8808 |
313 | PAF | 0.8807 |
314 | 3HG | 0.8805 |
315 | NYL | 0.8805 |
316 | GPF | 0.8804 |
317 | GPJ | 0.8804 |
318 | 9X7 | 0.8802 |
319 | OXZ | 0.8799 |
320 | KTA | 0.8797 |
321 | BDR | 0.8793 |
322 | AGK | 0.8791 |
323 | ICF | 0.8791 |
324 | NVA | 0.8790 |
325 | 4VY | 0.8787 |
326 | 5HY | 0.8785 |
327 | MRY | 0.8782 |
328 | ISD | 0.8781 |
329 | PRY | 0.8780 |
330 | R2P | 0.8780 |
331 | 9YL | 0.8778 |
332 | 3YP | 0.8776 |
333 | BNF | 0.8774 |
334 | CSS | 0.8774 |
335 | PG3 | 0.8773 |
336 | M6W | 0.8771 |
337 | NBE | 0.8770 |
338 | MLE | 0.8769 |
339 | 258 | 0.8768 |
340 | DMV | 0.8763 |
341 | 2CL | 0.8762 |
342 | JZ4 | 0.8759 |
343 | DPF | 0.8758 |
344 | TNE | 0.8756 |
345 | LCN | 0.8754 |
346 | 2BX | 0.8753 |
347 | 2TQ | 0.8752 |
348 | 2PG | 0.8752 |
349 | N4B | 0.8752 |
350 | PTO | 0.8750 |
351 | HTX | 0.8747 |
352 | ORN | 0.8747 |
353 | GP9 | 0.8743 |
354 | 3BU | 0.8742 |
355 | MAN | 0.8741 |
356 | KMT | 0.8740 |
357 | MAH | 0.8739 |
358 | S24 | 0.8736 |
359 | DHY | 0.8731 |
360 | 3C4 | 0.8731 |
361 | KPL | 0.8728 |
362 | PRA | 0.8727 |
363 | THR | 0.8726 |
364 | H62 | 0.8719 |
365 | PRI | 0.8719 |
366 | AT3 | 0.8716 |
367 | 5XB | 0.8714 |
368 | B85 | 0.8711 |
369 | ARW | 0.8710 |
370 | SC2 | 0.8710 |
371 | 54D | 0.8704 |
372 | GLY GLY | 0.8702 |
373 | BCU | 0.8700 |
374 | SYC | 0.8699 |
375 | GIF | 0.8698 |
376 | K7M | 0.8696 |
377 | BDF | 0.8695 |
378 | TPO | 0.8691 |
379 | CIT | 0.8686 |
380 | 69O | 0.8684 |
381 | PLU | 0.8680 |
382 | LPK | 0.8678 |
383 | K6V | 0.8677 |
384 | DTL | 0.8671 |
385 | WOO | 0.8671 |
386 | APG | 0.8670 |
387 | HPS | 0.8669 |
388 | CXP | 0.8664 |
389 | OEM | 0.8661 |
390 | TYE | 0.8650 |
391 | 4SD | 0.8644 |
392 | RSF | 0.8642 |
393 | PRZ | 0.8637 |
394 | PPT | 0.8637 |
395 | B40 | 0.8627 |
396 | 1CO | 0.8627 |
397 | 1GP | 0.8624 |
398 | AFR | 0.8620 |
399 | MZT | 0.8619 |
400 | MZB | 0.8602 |
401 | LYS | 0.8600 |
402 | 9X6 | 0.8599 |
403 | F34 | 0.8596 |
404 | 4PN | 0.8588 |
405 | PAE | 0.8571 |
406 | FSG | 0.8558 |
407 | SR1 | 0.8552 |
408 | AG2 | 0.8549 |
409 | 23B | 0.8548 |
410 | Q9Z | 0.8536 |
411 | SYM | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 1n20.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1n20.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |