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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 2 families. | |||||
1 | 2P1E | - | LAC | C3 H6 O3 | C[C@H](C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2P1E | - | LAC | C3 H6 O3 | C[C@H](C(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2OP | 1 | 1 |
2 | LAC | 1 | 1 |
3 | HBR | 0.6 | 0.615385 |
4 | HBS | 0.6 | 0.615385 |
5 | 2RH | 0.5 | 0.631579 |
6 | SRT | 0.5 | 0.611111 |
7 | TAR | 0.5 | 0.611111 |
8 | TLA | 0.5 | 0.611111 |
9 | IPM | 0.47619 | 0.631579 |
10 | KIV | 0.444444 | 0.625 |
11 | LFC | 0.434783 | 0.8 |
12 | WTZ | 0.428571 | 0.631579 |
13 | 23B | 0.428571 | 0.631579 |
14 | QFH | 0.428571 | 0.631579 |
15 | LGT | 0.421053 | 0.611111 |
16 | GAE | 0.421053 | 0.611111 |
17 | RAT | 0.421053 | 0.611111 |
18 | 3LR | 0.4 | 0.6 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5Y9 | 1.0289 |
2 | HGY | 1.0000 |
3 | NIS | 1.0000 |
4 | DAL | 1.0000 |
5 | OXD | 1.0000 |
6 | ALA | 1.0000 |
7 | BUO | 1.0000 |
8 | PYM | 1.0000 |
9 | ALQ | 1.0000 |
10 | PYR | 1.0000 |
11 | NAK | 1.0000 |
12 | OXL | 1.0000 |
13 | OXM | 1.0000 |
14 | 03W | 0.9885 |
15 | DGY | 0.9885 |
16 | TF4 | 0.9863 |
17 | HIU | 0.9844 |
18 | DSN | 0.9822 |
19 | SER | 0.9792 |
20 | MB3 | 0.9769 |
21 | 1AC | 0.9766 |
22 | C2N | 0.9761 |
23 | FAH | 0.9752 |
24 | AOA | 0.9747 |
25 | DCY | 0.9724 |
26 | HUI | 0.9723 |
27 | DE2 | 0.9721 |
28 | PPI | 0.9715 |
29 | DXX | 0.9713 |
30 | 2RA | 0.9707 |
31 | GLV | 0.9704 |
32 | CYS | 0.9696 |
33 | NIE | 0.9693 |
34 | SMB | 0.9687 |
35 | GLY | 0.9682 |
36 | GOA | 0.9670 |
37 | R3W | 0.9657 |
38 | HAE | 0.9650 |
39 | KSW | 0.9644 |
40 | AKR | 0.9644 |
41 | MLI | 0.9642 |
42 | 39J | 0.9640 |
43 | 3ZS | 0.9636 |
44 | 3PY | 0.9631 |
45 | 3OH | 0.9625 |
46 | 4AX | 0.9621 |
47 | HSL | 0.9616 |
48 | F50 | 0.9614 |
49 | 2KT | 0.9613 |
50 | 3MT | 0.9608 |
51 | DMI | 0.9605 |
52 | KG7 | 0.9603 |
53 | F3V | 0.9600 |
54 | ALF | 0.9597 |
55 | AGU | 0.9595 |
56 | BU4 | 0.9594 |
57 | HVB | 0.9588 |
58 | THR | 0.9586 |
59 | ABA | 0.9584 |
60 | SAR | 0.9582 |
61 | B20 | 0.9581 |
62 | GBL | 0.9580 |
63 | BMD | 0.9579 |
64 | BAL | 0.9577 |
65 | DBB | 0.9564 |
66 | DTI | 0.9563 |
67 | BNZ | 0.9563 |
68 | NHY | 0.9563 |
69 | 1CB | 0.9558 |
70 | 0PY | 0.9558 |
71 | MGX | 0.9554 |
72 | DMG | 0.9552 |
73 | 3TR | 0.9551 |
74 | BAQ | 0.9544 |
75 | A3B | 0.9541 |
76 | 61G | 0.9536 |
77 | PHZ | 0.9536 |
78 | TAY | 0.9536 |
79 | 6SP | 0.9535 |
80 | P1R | 0.9532 |
81 | 2A3 | 0.9530 |
82 | BUA | 0.9529 |
83 | ETF | 0.9526 |
84 | 2A1 | 0.9522 |
85 | TMO | 0.9521 |
86 | HOW | 0.9508 |
87 | MMZ | 0.9505 |
88 | 1MZ | 0.9502 |
89 | ATO | 0.9501 |
90 | AMT | 0.9494 |
91 | 2MZ | 0.9493 |
92 | PPF | 0.9490 |
93 | IVA | 0.9489 |
94 | XAP | 0.9483 |
95 | TSZ | 0.9482 |
96 | 4MZ | 0.9482 |
97 | BUQ | 0.9479 |
98 | NMU | 0.9471 |
99 | PXO | 0.9463 |
100 | GOL | 0.9462 |
101 | 03S | 0.9461 |
102 | MR3 | 0.9458 |
103 | CXL | 0.9456 |
104 | CYH | 0.9456 |
105 | BXA | 0.9455 |
106 | MLA | 0.9446 |
107 | ATQ | 0.9443 |
108 | JZ6 | 0.9443 |
109 | 2AI | 0.9443 |
110 | HSW | 0.9442 |
111 | HLT | 0.9433 |
112 | 3GR | 0.9426 |
113 | 3HR | 0.9423 |
114 | EGD | 0.9418 |
115 | BRP | 0.9417 |
116 | J3K | 0.9416 |
117 | PZO | 0.9410 |
118 | 5KX | 0.9403 |
119 | 9A4 | 0.9399 |
120 | IPH | 0.9395 |
121 | BF4 | 0.9394 |
122 | 2HP | 0.9392 |
123 | FPO | 0.9392 |
124 | 2AP | 0.9390 |
125 | HVK | 0.9390 |
126 | MBN | 0.9383 |
127 | MEU | 0.9379 |
128 | TRI | 0.9378 |
129 | 3BB | 0.9376 |
130 | 3AP | 0.9371 |
131 | 5MP | 0.9371 |
132 | SLP | 0.9371 |
133 | 7EX | 0.9368 |
134 | C5J | 0.9361 |
135 | TBU | 0.9357 |
136 | BUB | 0.9355 |
137 | HUH | 0.9353 |
138 | MZY | 0.9350 |
139 | HV2 | 0.9348 |
140 | 3CL | 0.9347 |
141 | IMD | 0.9345 |
142 | A2Q | 0.9345 |
143 | BXO | 0.9345 |
144 | TB0 | 0.9342 |
145 | 2IM | 0.9338 |
146 | MTG | 0.9334 |
147 | HYN | 0.9334 |
148 | LGA | 0.9332 |
149 | PO4 | 0.9331 |
150 | L60 | 0.9324 |
151 | 9PO | 0.9323 |
152 | PYZ | 0.9322 |
153 | HRZ | 0.9320 |
154 | GXE | 0.9319 |
155 | BYZ | 0.9317 |
156 | HAI | 0.9315 |
157 | MRY | 0.9315 |
158 | 8CL | 0.9309 |
159 | MLM | 0.9307 |
160 | TAN | 0.9300 |
161 | GB | 0.9296 |
162 | 93Q | 0.9294 |
163 | V1L | 0.9294 |
164 | ES3 | 0.9292 |
165 | 2HA | 0.9291 |
166 | 3HL | 0.9291 |
167 | HHN | 0.9289 |
168 | 23W | 0.9280 |
169 | 4AP | 0.9277 |
170 | LER | 0.9272 |
171 | 24T | 0.9270 |
172 | FUS | 0.9270 |
173 | 3ZQ | 0.9269 |
174 | CNH | 0.9265 |
175 | WOT | 0.9263 |
176 | L89 | 0.9262 |
177 | GXV | 0.9259 |
178 | CAQ | 0.9257 |
179 | AAE | 0.9257 |
180 | DTL | 0.9256 |
181 | VSO | 0.9250 |
182 | CP2 | 0.9248 |
183 | NVI | 0.9247 |
184 | 192 | 0.9246 |
185 | TTO | 0.9244 |
186 | JZ0 | 0.9242 |
187 | 76X | 0.9240 |
188 | 938 | 0.9239 |
189 | 1AN | 0.9232 |
190 | XIX | 0.9230 |
191 | 93B | 0.9225 |
192 | 2AF | 0.9224 |
193 | FP2 | 0.9220 |
194 | 8LG | 0.9220 |
195 | OXE | 0.9218 |
196 | 1BP | 0.9216 |
197 | 4XX | 0.9210 |
198 | CHT | 0.9208 |
199 | PRI | 0.9203 |
200 | 2CH | 0.9201 |
201 | 92Z | 0.9201 |
202 | PIH | 0.9200 |
203 | 2PA | 0.9196 |
204 | HTS | 0.9193 |
205 | TCV | 0.9181 |
206 | HGW | 0.9179 |
207 | CEJ | 0.9173 |
208 | P2D | 0.9169 |
209 | BEW | 0.9164 |
210 | 40O | 0.9162 |
211 | TMT | 0.9159 |
212 | FW5 | 0.9156 |
213 | ITU | 0.9155 |
214 | TMZ | 0.9142 |
215 | 25T | 0.9131 |
216 | 8X3 | 0.9115 |
217 | MZ0 | 0.9114 |
218 | DCD | 0.9111 |
219 | E60 | 0.9110 |
220 | SSN | 0.9106 |
221 | 4DX | 0.9106 |
222 | XPO | 0.9105 |
223 | D2P | 0.9103 |
224 | J1Z | 0.9103 |
225 | 280 | 0.9101 |
226 | PEJ | 0.9099 |
227 | YAN | 0.9098 |
228 | 8FH | 0.9098 |
229 | SGL | 0.9086 |
230 | PRS | 0.9085 |
231 | TAU | 0.9084 |
232 | ART | 0.9084 |
233 | WO6 | 0.9082 |
234 | 6X8 | 0.9081 |
235 | 278 | 0.9072 |
236 | TFB | 0.9068 |
237 | MMQ | 0.9065 |
238 | H3M | 0.9056 |
239 | 285 | 0.9043 |
240 | BAE | 0.9037 |
241 | FJO | 0.9035 |
242 | MMU | 0.9031 |
243 | BVG | 0.9029 |
244 | HDA | 0.9023 |
245 | DTT | 0.9019 |
246 | 9XN | 0.9015 |
247 | FMS | 0.9011 |
248 | IQ0 | 0.8990 |
249 | ETM | 0.8988 |
250 | DPR | 0.8985 |
251 | 1DH | 0.8984 |
252 | URA | 0.8983 |
253 | TFS | 0.8981 |
254 | 2HE | 0.8971 |
255 | AKB | 0.8969 |
256 | 2EZ | 0.8967 |
257 | DUC | 0.8964 |
258 | PRO | 0.8963 |
259 | LG3 | 0.8962 |
260 | VAL | 0.8954 |
261 | FCN | 0.8950 |
262 | HPY | 0.8948 |
263 | RP7 | 0.8946 |
264 | POA | 0.8944 |
265 | 8GF | 0.8944 |
266 | 26D | 0.8935 |
267 | CYT | 0.8935 |
268 | ICN | 0.8930 |
269 | ODV | 0.8928 |
270 | DTU | 0.8918 |
271 | 9SB | 0.8917 |
272 | P7I | 0.8915 |
273 | HCS | 0.8913 |
274 | ALO | 0.8909 |
275 | EDO | 0.8904 |
276 | BVC | 0.8904 |
277 | MSF | 0.8902 |
278 | PUT | 0.8896 |
279 | NCM | 0.8895 |
280 | 25R | 0.8894 |
281 | CSS | 0.8893 |
282 | LG5 | 0.8893 |
283 | HSE | 0.8893 |
284 | 2PC | 0.8893 |
285 | PAE | 0.8889 |
286 | BVF | 0.8886 |
287 | CRS | 0.8884 |
288 | BTL | 0.8878 |
289 | HVQ | 0.8876 |
290 | DAB | 0.8875 |
291 | 9X7 | 0.8872 |
292 | RCO | 0.8869 |
293 | MAK | 0.8868 |
294 | TZC | 0.8867 |
295 | CIG | 0.8866 |
296 | DA1 | 0.8864 |
297 | FOA | 0.8861 |
298 | HHQ | 0.8861 |
299 | LG4 | 0.8860 |
300 | RSF | 0.8857 |
301 | 273 | 0.8850 |
302 | HGQ | 0.8848 |
303 | NVA | 0.8845 |
304 | JBN | 0.8843 |
305 | HQE | 0.8842 |
306 | CRD | 0.8842 |
307 | PCR | 0.8837 |
308 | B3R | 0.8830 |
309 | PYC | 0.8818 |
310 | ICC | 0.8818 |
311 | 3CH | 0.8815 |
312 | 4JU | 0.8812 |
313 | 284 | 0.8812 |
314 | 4HS | 0.8808 |
315 | 1XX | 0.8807 |
316 | 4JN | 0.8798 |
317 | 4H2 | 0.8796 |
318 | M3T | 0.8796 |
319 | BML | 0.8793 |
320 | 4CH | 0.8792 |
321 | IOL | 0.8791 |
322 | TP5 | 0.8789 |
323 | NEQ | 0.8785 |
324 | IDH | 0.8779 |
325 | PXY | 0.8778 |
326 | YHO | 0.8773 |
327 | FPN | 0.8769 |
328 | CP | 0.8761 |
329 | PLQ | 0.8760 |
330 | ECE | 0.8759 |
331 | 69O | 0.8752 |
332 | T2C | 0.8748 |
333 | 1DU | 0.8748 |
334 | 2MH | 0.8727 |
335 | 9YL | 0.8724 |
336 | SYN | 0.8715 |
337 | TZZ | 0.8710 |
338 | SAT | 0.8708 |
339 | OSM | 0.8702 |
340 | ISU | 0.8700 |
341 | 3SY | 0.8685 |
342 | URF | 0.8677 |
343 | ACT | 0.8663 |
344 | 282 | 0.8660 |
345 | MTD | 0.8632 |
346 | NOE | 0.8611 |
347 | WBU | 0.8600 |
348 | NBE | 0.8595 |
349 | ABN | 0.8588 |
350 | APY | 0.8584 |
351 | JZ3 | 0.8581 |
352 | AF3 | 0.8579 |
353 | BRJ | 0.8577 |
354 | HZP | 0.8543 |
This union binding pocket(no: 1) in the query (biounit: 2p1e.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |