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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 337 families. | |||||
1 | 3CXO | - | 3LR | C6 H12 O5 | C[C@@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 225 families. | |||||
1 | 3CXO | - | 3LR | C6 H12 O5 | C[C@@H]([C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | OCA | 0.9225 |
2 | ARG | 0.9202 |
3 | OOG | 0.9177 |
4 | TEG | 0.9161 |
5 | HL4 | 0.9153 |
6 | DKA | 0.9145 |
7 | MLZ | 0.9145 |
8 | 3GZ | 0.9132 |
9 | NMH | 0.9115 |
10 | KNA | 0.9098 |
11 | GVA | 0.9088 |
12 | HL6 | 0.9084 |
13 | 7XA | 0.9079 |
14 | DLY | 0.9059 |
15 | GGG | 0.9052 |
16 | X1R | 0.9052 |
17 | E8U | 0.9050 |
18 | PBN | 0.9045 |
19 | GGB | 0.9039 |
20 | NOT | 0.9038 |
21 | O45 | 0.9007 |
22 | 3H2 | 0.9004 |
23 | NF3 | 0.9003 |
24 | LGT | 0.8988 |
25 | LYN | 0.8986 |
26 | JX7 | 0.8957 |
27 | API | 0.8956 |
28 | N8C | 0.8956 |
29 | ENV | 0.8952 |
30 | 4TB | 0.8940 |
31 | PML | 0.8939 |
32 | KLS | 0.8933 |
33 | N9J | 0.8928 |
34 | 6XA | 0.8927 |
35 | ODI | 0.8927 |
36 | ALY | 0.8922 |
37 | IAR | 0.8921 |
38 | HGA | 0.8906 |
39 | ONH | 0.8900 |
40 | M5E | 0.8900 |
41 | UN1 | 0.8898 |
42 | MLY | 0.8883 |
43 | NBB | 0.8880 |
44 | E79 | 0.8879 |
45 | 2J3 | 0.8877 |
46 | 36M | 0.8876 |
47 | M75 | 0.8875 |
48 | NPI | 0.8868 |
49 | KAP | 0.8865 |
50 | EGV | 0.8864 |
51 | PRA | 0.8863 |
52 | 1H1 | 0.8853 |
53 | Z70 | 0.8849 |
54 | 7C3 | 0.8846 |
55 | BPW | 0.8843 |
56 | 6HN | 0.8841 |
57 | NNH | 0.8840 |
58 | MGB | 0.8837 |
59 | HPO | 0.8836 |
60 | HPN | 0.8836 |
61 | E4P | 0.8830 |
62 | AE3 | 0.8829 |
63 | HOC | 0.8829 |
64 | SPD | 0.8829 |
65 | 011 | 0.8823 |
66 | 64Z | 0.8822 |
67 | DZA | 0.8818 |
68 | OC9 | 0.8810 |
69 | MHN | 0.8807 |
70 | XI7 | 0.8807 |
71 | M1T | 0.8804 |
72 | ENW | 0.8803 |
73 | DNN | 0.8794 |
74 | N6C | 0.8791 |
75 | N9M | 0.8783 |
76 | KYN | 0.8781 |
77 | AHN | 0.8781 |
78 | AG2 | 0.8774 |
79 | ALA ZGL | 0.8773 |
80 | ALE | 0.8772 |
81 | H4E | 0.8772 |
82 | ZE7 | 0.8770 |
83 | HSA | 0.8766 |
84 | LPA | 0.8764 |
85 | 8AC | 0.8764 |
86 | PRO GLY | 0.8763 |
87 | B3M | 0.8763 |
88 | NFZ | 0.8763 |
89 | 5PV | 0.8760 |
90 | D2G | 0.8756 |
91 | K6V | 0.8755 |
92 | D10 | 0.8748 |
93 | CLT | 0.8747 |
94 | MVH | 0.8746 |
95 | XRX | 0.8744 |
96 | RGP | 0.8743 |
97 | SOR | 0.8739 |
98 | 6L6 | 0.8738 |
99 | 8SZ | 0.8731 |
100 | 3LR | 0.8731 |
101 | GLY GLY GLY | 0.8725 |
102 | 26P | 0.8725 |
103 | 27K | 0.8721 |
104 | OHJ | 0.8716 |
105 | LT1 | 0.8713 |
106 | 9J6 | 0.8709 |
107 | HRG | 0.8708 |
108 | HPL | 0.8707 |
109 | 0OL | 0.8701 |
110 | SB7 | 0.8695 |
111 | HNE | 0.8693 |
112 | DLT | 0.8693 |
113 | AHL | 0.8691 |
114 | FUD | 0.8688 |
115 | BGT | 0.8687 |
116 | 7UC | 0.8681 |
117 | LL2 | 0.8661 |
118 | KQY | 0.8660 |
119 | KDG | 0.8659 |
120 | GRQ | 0.8656 |
121 | 6C9 | 0.8651 |
122 | OYA | 0.8650 |
123 | C26 | 0.8626 |
124 | 5DL | 0.8625 |
125 | BHU | 0.8624 |
126 | DHH | 0.8623 |
127 | LXP | 0.8622 |
128 | PCS | 0.8615 |
129 | 14W | 0.8615 |
130 | 0QW | 0.8608 |
131 | YPN | 0.8601 |
132 | LPB | 0.8582 |
133 | D1G | 0.8581 |
134 | GLR | 0.8577 |
135 | PSJ | 0.8572 |
136 | ALA ALA | 0.8552 |
137 | SHV | 0.8542 |
138 | 5SP | 0.8524 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AKG | 0.9720 |
2 | 2HG | 0.9706 |
3 | OGA | 0.9639 |
4 | DGL | 0.9626 |
5 | GLN | 0.9595 |
6 | ALA ALA | 0.9548 |
7 | TLA | 0.9545 |
8 | KTA | 0.9529 |
9 | HIS | 0.9510 |
10 | A29 | 0.9508 |
11 | DAL DAL | 0.9502 |
12 | PEP | 0.9486 |
13 | DGN | 0.9478 |
14 | GLU | 0.9474 |
15 | PPY | 0.9468 |
16 | 9RW | 0.9460 |
17 | PHU | 0.9458 |
18 | LNR | 0.9456 |
19 | S2G | 0.9450 |
20 | LYS | 0.9445 |
21 | CFI | 0.9440 |
22 | 3PG | 0.9440 |
23 | GUA | 0.9439 |
24 | SMN | 0.9432 |
25 | ISZ | 0.9428 |
26 | TIH | 0.9426 |
27 | QY9 | 0.9423 |
28 | BHO | 0.9385 |
29 | 173 | 0.9381 |
30 | 9ON | 0.9377 |
31 | GRO | 0.9376 |
32 | NIZ | 0.9375 |
33 | 069 | 0.9374 |
34 | RMN | 0.9372 |
35 | 6FZ | 0.9356 |
36 | PO6 | 0.9353 |
37 | O45 | 0.9344 |
38 | FK8 | 0.9343 |
39 | BNF | 0.9342 |
40 | AOT | 0.9336 |
41 | GZ3 | 0.9327 |
42 | 2IT | 0.9325 |
43 | 3YP | 0.9322 |
44 | LDP | 0.9321 |
45 | SYM | 0.9320 |
46 | 1L5 | 0.9315 |
47 | DHY | 0.9314 |
48 | 41K | 0.9313 |
49 | HHH | 0.9312 |
50 | SEP | 0.9309 |
51 | 97T | 0.9307 |
52 | 9SE | 0.9303 |
53 | AL0 | 0.9303 |
54 | K34 | 0.9300 |
55 | 5XB | 0.9294 |
56 | RNS | 0.9289 |
57 | OAA | 0.9288 |
58 | DHI | 0.9286 |
59 | J9T | 0.9285 |
60 | OTR | 0.9277 |
61 | PAC | 0.9272 |
62 | AFS | 0.9270 |
63 | HG3 | 0.9266 |
64 | ONL | 0.9265 |
65 | GJZ | 0.9263 |
66 | A09 | 0.9262 |
67 | DPN | 0.9262 |
68 | SPV | 0.9260 |
69 | 8OZ | 0.9257 |
70 | HL5 | 0.9254 |
71 | RAT | 0.9252 |
72 | 0L1 | 0.9244 |
73 | MNN | 0.9242 |
74 | HCI | 0.9241 |
75 | PZI | 0.9237 |
76 | PGA | 0.9237 |
77 | XIZ | 0.9236 |
78 | HFA | 0.9234 |
79 | MXN | 0.9232 |
80 | 1DJ | 0.9232 |
81 | NCT | 0.9230 |
82 | MZT | 0.9229 |
83 | DZA | 0.9228 |
84 | J9N | 0.9226 |
85 | QMP | 0.9223 |
86 | SME | 0.9220 |
87 | 7N0 | 0.9217 |
88 | R2P | 0.9216 |
89 | 13P | 0.9213 |
90 | 1SA | 0.9211 |
91 | L99 | 0.9202 |
92 | FB2 | 0.9200 |
93 | M3H | 0.9197 |
94 | LLH | 0.9190 |
95 | ZGL | 0.9189 |
96 | 4HP | 0.9185 |
97 | FOC | 0.9184 |
98 | RNT | 0.9182 |
99 | I1E | 0.9180 |
100 | FBJ | 0.9180 |
101 | HSO | 0.9179 |
102 | MLT | 0.9177 |
103 | DLY | 0.9173 |
104 | M45 | 0.9172 |
105 | TAR | 0.9170 |
106 | HDH | 0.9169 |
107 | PPR | 0.9168 |
108 | PIY | 0.9167 |
109 | HNL | 0.9163 |
110 | MHO | 0.9159 |
111 | 9RH | 0.9158 |
112 | X1S | 0.9158 |
113 | P58 | 0.9157 |
114 | YRL | 0.9157 |
115 | A3M | 0.9156 |
116 | SD4 | 0.9154 |
117 | Q06 | 0.9149 |
118 | OKG | 0.9147 |
119 | DYT | 0.9146 |
120 | LFC | 0.9146 |
121 | NF3 | 0.9145 |
122 | URQ | 0.9144 |
123 | LY0 | 0.9142 |
124 | TZL | 0.9142 |
125 | 4FA | 0.9140 |
126 | FBM | 0.9138 |
127 | 0V5 | 0.9137 |
128 | 2PG | 0.9137 |
129 | 2AS | 0.9136 |
130 | 9YT | 0.9136 |
131 | B85 | 0.9134 |
132 | KDG | 0.9132 |
133 | APG | 0.9131 |
134 | 40E | 0.9130 |
135 | F9P | 0.9129 |
136 | HF2 | 0.9129 |
137 | OOG | 0.9127 |
138 | M6H | 0.9126 |
139 | ASP | 0.9126 |
140 | 42J | 0.9125 |
141 | 92K | 0.9123 |
142 | PHE | 0.9123 |
143 | DAS | 0.9121 |
144 | OEG | 0.9121 |
145 | XUL | 0.9120 |
146 | 0VT | 0.9118 |
147 | 4TB | 0.9118 |
148 | TPA | 0.9115 |
149 | LMR | 0.9114 |
150 | GGL | 0.9113 |
151 | SHI | 0.9112 |
152 | 7C3 | 0.9111 |
153 | XLS | 0.9110 |
154 | ASN | 0.9110 |
155 | SHA | 0.9110 |
156 | S8V | 0.9108 |
157 | HL4 | 0.9104 |
158 | 152 | 0.9102 |
159 | P7Y | 0.9100 |
160 | URP | 0.9099 |
161 | 9X6 | 0.9099 |
162 | GP9 | 0.9098 |
163 | NM2 | 0.9097 |
164 | AEG | 0.9096 |
165 | 4LV | 0.9092 |
166 | HPV | 0.9090 |
167 | Q9Z | 0.9087 |
168 | PGH | 0.9087 |
169 | GLY GLY | 0.9085 |
170 | 11C | 0.9084 |
171 | CXP | 0.9084 |
172 | CCE | 0.9084 |
173 | FEH | 0.9081 |
174 | 3SL | 0.9081 |
175 | R67 | 0.9078 |
176 | ZBT | 0.9076 |
177 | 2CO | 0.9075 |
178 | I38 | 0.9074 |
179 | PEQ | 0.9072 |
180 | ITN | 0.9070 |
181 | GCO | 0.9069 |
182 | CS2 | 0.9068 |
183 | G3P | 0.9067 |
184 | AOS | 0.9066 |
185 | NYL | 0.9066 |
186 | 8GL | 0.9062 |
187 | CCU | 0.9062 |
188 | ORN | 0.9061 |
189 | 2D8 | 0.9059 |
190 | 7OD | 0.9059 |
191 | 4LR | 0.9058 |
192 | XYL | 0.9056 |
193 | NFA | 0.9053 |
194 | HNK | 0.9053 |
195 | DIR | 0.9052 |
196 | OSE | 0.9052 |
197 | HHI | 0.9050 |
198 | 4PN | 0.9050 |
199 | 3QM | 0.9048 |
200 | GLO | 0.9048 |
201 | 2FT | 0.9047 |
202 | PBA | 0.9047 |
203 | SAF | 0.9047 |
204 | I4B | 0.9044 |
205 | 7BC | 0.9043 |
206 | GPF | 0.9043 |
207 | MSL | 0.9042 |
208 | EHM | 0.9042 |
209 | MET | 0.9040 |
210 | AHN | 0.9036 |
211 | G3H | 0.9036 |
212 | RBL | 0.9035 |
213 | ACH | 0.9034 |
214 | SIN | 0.9033 |
215 | B3U | 0.9031 |
216 | RUJ | 0.9027 |
217 | MES | 0.9025 |
218 | TEO | 0.9022 |
219 | PMF | 0.9021 |
220 | NLE | 0.9019 |
221 | 3HP | 0.9018 |
222 | 1GP | 0.9018 |
223 | BHU | 0.9016 |
224 | GPJ | 0.9016 |
225 | K6V | 0.9014 |
226 | KMT | 0.9014 |
227 | PSJ | 0.9007 |
228 | MEQ | 0.9007 |
229 | AT3 | 0.9003 |
230 | SOR | 0.9001 |
231 | HGA | 0.9000 |
232 | 3HG | 0.8999 |
233 | URO | 0.8999 |
234 | S2P | 0.8994 |
235 | LYN | 0.8992 |
236 | IZC | 0.8989 |
237 | HYA | 0.8989 |
238 | UN1 | 0.8986 |
239 | Q03 | 0.8984 |
240 | E4P | 0.8983 |
241 | 129 | 0.8981 |
242 | TYE | 0.8980 |
243 | K7M | 0.8975 |
244 | MUC | 0.8974 |
245 | FBW | 0.8973 |
246 | 3S5 | 0.8971 |
247 | 268 | 0.8970 |
248 | IP8 | 0.8969 |
249 | SOL | 0.8969 |
250 | QDK | 0.8968 |
251 | AEF | 0.8968 |
252 | MTL | 0.8964 |
253 | MSE | 0.8964 |
254 | CCD | 0.8963 |
255 | GLR | 0.8962 |
256 | TAG | 0.8961 |
257 | 7UC | 0.8960 |
258 | 61M | 0.8959 |
259 | 650 | 0.8958 |
260 | IVL | 0.8954 |
261 | OHP | 0.8952 |
262 | ONH | 0.8949 |
263 | N4B | 0.8949 |
264 | MED | 0.8948 |
265 | KMH | 0.8945 |
266 | 54D | 0.8945 |
267 | 49F | 0.8944 |
268 | COI | 0.8938 |
269 | IAC | 0.8935 |
270 | HY1 | 0.8935 |
271 | GLY ALA | 0.8933 |
272 | PEA | 0.8932 |
273 | EN1 | 0.8932 |
274 | 3C4 | 0.8930 |
275 | Q02 | 0.8929 |
276 | 258 | 0.8927 |
277 | 3MV | 0.8925 |
278 | HPS | 0.8923 |
279 | XYH | 0.8921 |
280 | CHH | 0.8921 |
281 | SDD | 0.8920 |
282 | 4VY | 0.8919 |
283 | B40 | 0.8918 |
284 | 1BN | 0.8918 |
285 | TYR | 0.8917 |
286 | LUQ | 0.8915 |
287 | SYC | 0.8911 |
288 | GWM | 0.8911 |
289 | HDL | 0.8911 |
290 | 3PP | 0.8910 |
291 | 9J3 | 0.8906 |
292 | FUD | 0.8904 |
293 | ASC | 0.8902 |
294 | HPN | 0.8901 |
295 | 2UB | 0.8899 |
296 | 269 | 0.8895 |
297 | DEE | 0.8892 |
298 | PPT | 0.8889 |
299 | AG2 | 0.8888 |
300 | PC | 0.8887 |
301 | PRA | 0.8884 |
302 | 2BX | 0.8883 |
303 | PEL | 0.8882 |
304 | FF3 | 0.8881 |
305 | 2F6 | 0.8881 |
306 | 56D | 0.8879 |
307 | 8K2 | 0.8878 |
308 | 7MU | 0.8877 |
309 | XBT | 0.8877 |
310 | IXW | 0.8876 |
311 | PKU | 0.8875 |
312 | 3OM | 0.8873 |
313 | N6C | 0.8873 |
314 | DHR | 0.8870 |
315 | Q04 | 0.8869 |
316 | GAE | 0.8868 |
317 | J0Z | 0.8865 |
318 | HIC | 0.8863 |
319 | QBM | 0.8860 |
320 | PBN | 0.8858 |
321 | TZM | 0.8856 |
322 | 8SZ | 0.8855 |
323 | 6JN | 0.8854 |
324 | PSE | 0.8849 |
325 | B09 | 0.8849 |
326 | EDR | 0.8848 |
327 | RBJ | 0.8846 |
328 | LT1 | 0.8845 |
329 | ALE | 0.8844 |
330 | 263 | 0.8841 |
331 | 3BU | 0.8840 |
332 | HPP | 0.8839 |
333 | HTX | 0.8839 |
334 | M5E | 0.8838 |
335 | FOM | 0.8837 |
336 | 8U3 | 0.8835 |
337 | GVM | 0.8833 |
338 | 5WZ | 0.8831 |
339 | ROR | 0.8824 |
340 | KDF | 0.8824 |
341 | AHC | 0.8823 |
342 | MAH | 0.8823 |
343 | BHH | 0.8819 |
344 | NM3 | 0.8819 |
345 | LPK | 0.8817 |
346 | HMS | 0.8817 |
347 | 1X4 | 0.8815 |
348 | 8EW | 0.8812 |
349 | 7WG | 0.8812 |
350 | CFA | 0.8806 |
351 | RJY | 0.8803 |
352 | RTK | 0.8803 |
353 | RB5 | 0.8799 |
354 | LVD | 0.8798 |
355 | PFF | 0.8797 |
356 | DII | 0.8797 |
357 | DYA | 0.8793 |
358 | 98J | 0.8782 |
359 | HJH | 0.8781 |
360 | 264 | 0.8779 |
361 | SHV | 0.8776 |
362 | N9J | 0.8776 |
363 | DTY | 0.8774 |
364 | R9S | 0.8772 |
365 | LGT | 0.8770 |
366 | HBU | 0.8769 |
367 | OMD | 0.8769 |
368 | M74 | 0.8766 |
369 | YPN | 0.8766 |
370 | REL | 0.8765 |
371 | PCS | 0.8765 |
372 | DHM | 0.8762 |
373 | CTV | 0.8759 |
374 | MHN | 0.8758 |
375 | 6NA | 0.8757 |
376 | LTL | 0.8755 |
377 | X1R | 0.8754 |
378 | XDE | 0.8748 |
379 | 3CR | 0.8748 |
380 | 5ZZ | 0.8747 |
381 | TPO | 0.8747 |
382 | 4WK | 0.8736 |
383 | DXP | 0.8734 |
384 | GLY CYS | 0.8733 |
385 | 1N5 | 0.8731 |
386 | YIE | 0.8731 |
387 | XRX | 0.8731 |
388 | E79 | 0.8725 |
389 | NMH | 0.8725 |
390 | 5XA | 0.8716 |
391 | S24 | 0.8715 |
392 | PJL | 0.8710 |
393 | ACA | 0.8709 |
394 | ABF | 0.8705 |
395 | S0W | 0.8700 |
396 | B3M | 0.8693 |
397 | DAH | 0.8682 |
398 | DXG | 0.8681 |
399 | 9GB | 0.8680 |
400 | 7MX | 0.8679 |
401 | 3QO | 0.8670 |
402 | NLP | 0.8659 |
403 | LX1 | 0.8659 |
404 | 1H1 | 0.8658 |
405 | PG0 | 0.8654 |
406 | OEM | 0.8644 |
407 | DEW | 0.8644 |
408 | DI6 | 0.8630 |
409 | BSX | 0.8620 |
410 | DAV | 0.8615 |
411 | TYC | 0.8615 |
412 | ENV | 0.8613 |
413 | DER | 0.8606 |
414 | S7A | 0.8600 |
415 | RP3 | 0.8600 |
416 | MMS | 0.8599 |
417 | 36M | 0.8597 |
418 | 7UZ | 0.8595 |
419 | I2E | 0.8590 |
420 | TSR | 0.8578 |
421 | DLT | 0.8573 |
422 | F90 | 0.8572 |
423 | 5FX | 0.8567 |
424 | QH3 | 0.8566 |
425 | 0QW | 0.8548 |
426 | 1PS | 0.8537 |
427 | FIX | 0.8529 |
428 | VAH | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 3cxo.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3cxo.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3cxo.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3cxo.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 3cxo.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 3cxo.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 3cxo.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 3cxo.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 3cxo.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 3cxo.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |