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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 1331 families. | |||||
1 | 6G9X | - | JKE | C7 H6 O2 S | c1ccc(c(c1.... |
2 | 6HCL | - | 2OP | 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 1144 families. | |||||
1 | 6G9X | - | JKE | C7 H6 O2 S | c1ccc(c(c1.... |
2 | 6HCL | - | 2OP | 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 | ALA | 1.0000 |
2 | HGY | 1.0000 |
3 | 5Y9 | 1.0000 |
4 | OXD | 1.0000 |
5 | NIS | 1.0000 |
6 | PYM | 1.0000 |
7 | BUO | 1.0000 |
8 | NAK | 1.0000 |
9 | OXL | 1.0000 |
10 | PYR | 1.0000 |
11 | DAL | 1.0000 |
12 | OXM | 1.0000 |
13 | ALQ | 1.0000 |
14 | HUI | 0.9849 |
15 | TF4 | 0.9825 |
16 | DE2 | 0.9793 |
17 | CYS | 0.9786 |
18 | BU4 | 0.9781 |
19 | SER | 0.9775 |
20 | FAH | 0.9760 |
21 | 1AC | 0.9753 |
22 | SMB | 0.9751 |
23 | DSN | 0.9728 |
24 | NIE | 0.9725 |
25 | PPI | 0.9725 |
26 | 39J | 0.9724 |
27 | AOA | 0.9724 |
28 | MB3 | 0.9689 |
29 | GLY | 0.9682 |
30 | 2RA | 0.9678 |
31 | GLV | 0.9676 |
32 | DXX | 0.9675 |
33 | GOA | 0.9670 |
34 | F50 | 0.9664 |
35 | DGY | 0.9662 |
36 | 03W | 0.9662 |
37 | DMI | 0.9660 |
38 | DBB | 0.9659 |
39 | THR | 0.9654 |
40 | KG7 | 0.9653 |
41 | 3PY | 0.9653 |
42 | 2KT | 0.9651 |
43 | C2N | 0.9649 |
44 | HIU | 0.9634 |
45 | SAR | 0.9634 |
46 | BAL | 0.9621 |
47 | F3V | 0.9620 |
48 | DCY | 0.9620 |
49 | ABA | 0.9611 |
50 | B20 | 0.9606 |
51 | 0PY | 0.9605 |
52 | DTI | 0.9601 |
53 | ALF | 0.9601 |
54 | HVB | 0.9598 |
55 | BNZ | 0.9596 |
56 | BMD | 0.9591 |
57 | BUA | 0.9591 |
58 | KSW | 0.9586 |
59 | A3B | 0.9580 |
60 | AGU | 0.9568 |
61 | HSL | 0.9564 |
62 | AKR | 0.9563 |
63 | 4AX | 0.9559 |
64 | R3W | 0.9550 |
65 | P1R | 0.9548 |
66 | 3OH | 0.9544 |
67 | BAQ | 0.9544 |
68 | PHZ | 0.9537 |
69 | MGX | 0.9533 |
70 | MMZ | 0.9532 |
71 | NHY | 0.9529 |
72 | HAE | 0.9528 |
73 | TAY | 0.9523 |
74 | 3ZS | 0.9522 |
75 | 3MT | 0.9510 |
76 | MLI | 0.9509 |
77 | XAP | 0.9500 |
78 | 61G | 0.9497 |
79 | 2A3 | 0.9494 |
80 | BUQ | 0.9493 |
81 | GBL | 0.9493 |
82 | PPF | 0.9489 |
83 | 6SP | 0.9481 |
84 | TSZ | 0.9477 |
85 | 2A1 | 0.9472 |
86 | BRP | 0.9466 |
87 | GOL | 0.9465 |
88 | DMG | 0.9465 |
89 | HLT | 0.9458 |
90 | ATQ | 0.9457 |
91 | 3HR | 0.9455 |
92 | MLA | 0.9451 |
93 | ATO | 0.9443 |
94 | 1CB | 0.9439 |
95 | NMU | 0.9437 |
96 | 9A4 | 0.9431 |
97 | PXO | 0.9422 |
98 | L60 | 0.9419 |
99 | 2AI | 0.9418 |
100 | 3TR | 0.9408 |
101 | 3GR | 0.9407 |
102 | HOW | 0.9400 |
103 | BXA | 0.9389 |
104 | AMT | 0.9380 |
105 | 3BB | 0.9378 |
106 | MR3 | 0.9378 |
107 | HYN | 0.9375 |
108 | PZO | 0.9375 |
109 | 9PO | 0.9369 |
110 | 3HL | 0.9368 |
111 | J3K | 0.9366 |
112 | C5J | 0.9366 |
113 | A2Q | 0.9365 |
114 | IVA | 0.9364 |
115 | 1MZ | 0.9363 |
116 | EGD | 0.9359 |
117 | 2MZ | 0.9356 |
118 | BUB | 0.9355 |
119 | MTG | 0.9352 |
120 | MLM | 0.9352 |
121 | 4MZ | 0.9346 |
122 | SLP | 0.9345 |
123 | TRI | 0.9345 |
124 | IMD | 0.9342 |
125 | 7EX | 0.9333 |
126 | V1L | 0.9328 |
127 | LER | 0.9319 |
128 | 23W | 0.9319 |
129 | IPH | 0.9317 |
130 | 5MP | 0.9317 |
131 | CAQ | 0.9316 |
132 | 93Q | 0.9316 |
133 | HUH | 0.9310 |
134 | 24T | 0.9309 |
135 | LGA | 0.9309 |
136 | 2IM | 0.9309 |
137 | L89 | 0.9308 |
138 | 938 | 0.9297 |
139 | 76X | 0.9291 |
140 | GXV | 0.9288 |
141 | MEU | 0.9283 |
142 | HRZ | 0.9281 |
143 | ETF | 0.9281 |
144 | HVK | 0.9280 |
145 | 93B | 0.9280 |
146 | 1AN | 0.9279 |
147 | 2HA | 0.9278 |
148 | JZ0 | 0.9278 |
149 | MZY | 0.9277 |
150 | DTL | 0.9271 |
151 | 2AP | 0.9270 |
152 | MBN | 0.9270 |
153 | 2AF | 0.9269 |
154 | FP2 | 0.9267 |
155 | CP2 | 0.9266 |
156 | HV2 | 0.9258 |
157 | 5KX | 0.9257 |
158 | 92Z | 0.9256 |
159 | 3AP | 0.9248 |
160 | BEW | 0.9246 |
161 | OXE | 0.9244 |
162 | 8LG | 0.9242 |
163 | 2CH | 0.9236 |
164 | HAI | 0.9231 |
165 | CHT | 0.9222 |
166 | JZ6 | 0.9219 |
167 | 4AP | 0.9215 |
168 | HTS | 0.9214 |
169 | MRY | 0.9212 |
170 | 192 | 0.9209 |
171 | TCV | 0.9199 |
172 | 3CL | 0.9197 |
173 | WOT | 0.9195 |
174 | XIX | 0.9194 |
175 | CXL | 0.9185 |
176 | CYH | 0.9185 |
177 | J1Z | 0.9180 |
178 | AAE | 0.9177 |
179 | 6X8 | 0.9160 |
180 | GXE | 0.9154 |
181 | PRI | 0.9154 |
182 | YAN | 0.9145 |
183 | 3ZQ | 0.9128 |
184 | HSW | 0.9118 |
185 | 280 | 0.9108 |
186 | 1BP | 0.9108 |
187 | 2HP | 0.9105 |
188 | MZ0 | 0.9103 |
189 | BYZ | 0.9100 |
190 | CEJ | 0.9099 |
191 | TTO | 0.9093 |
192 | P2D | 0.9091 |
193 | ES3 | 0.9090 |
194 | 4XX | 0.9090 |
195 | TMZ | 0.9085 |
196 | PYZ | 0.9080 |
197 | E60 | 0.9078 |
198 | DCD | 0.9076 |
199 | 4DX | 0.9074 |
200 | HPY | 0.9074 |
201 | FW5 | 0.9065 |
202 | 40O | 0.9062 |
203 | TAU | 0.9052 |
204 | NVI | 0.9051 |
205 | BAE | 0.9048 |
206 | DTT | 0.9040 |
207 | SSN | 0.9037 |
208 | 8CL | 0.9033 |
209 | URA | 0.9030 |
210 | TFB | 0.9029 |
211 | LG3 | 0.9019 |
212 | ETM | 0.9019 |
213 | 285 | 0.9018 |
214 | ODV | 0.9017 |
215 | H3M | 0.9014 |
216 | D2P | 0.9013 |
217 | 25T | 0.9009 |
218 | 8GF | 0.9008 |
219 | PRS | 0.9004 |
220 | VAL | 0.9000 |
221 | PRO | 0.9000 |
222 | 278 | 0.8997 |
223 | ITU | 0.8990 |
224 | CYT | 0.8989 |
225 | FJO | 0.8988 |
226 | 03S | 0.8986 |
227 | HCS | 0.8983 |
228 | 8X3 | 0.8981 |
229 | 2HE | 0.8974 |
230 | POA | 0.8974 |
231 | DAB | 0.8974 |
232 | IQ0 | 0.8967 |
233 | FMS | 0.8961 |
234 | TFS | 0.8961 |
235 | NVA | 0.8961 |
236 | TMT | 0.8960 |
237 | 26D | 0.8960 |
238 | DUC | 0.8948 |
239 | AKB | 0.8947 |
240 | P7I | 0.8947 |
241 | LG5 | 0.8945 |
242 | ALO | 0.8945 |
243 | PIH | 0.8943 |
244 | BVF | 0.8942 |
245 | HHN | 0.8940 |
246 | HSE | 0.8938 |
247 | DTU | 0.8929 |
248 | CSS | 0.8925 |
249 | CIG | 0.8924 |
250 | RCO | 0.8920 |
251 | FOA | 0.8913 |
252 | CNH | 0.8904 |
253 | VSO | 0.8904 |
254 | HGW | 0.8900 |
255 | 2PC | 0.8899 |
256 | TBU | 0.8899 |
257 | ICN | 0.8892 |
258 | FCN | 0.8888 |
259 | CRS | 0.8886 |
260 | TMO | 0.8885 |
261 | RP7 | 0.8882 |
262 | 1DH | 0.8881 |
263 | BVG | 0.8880 |
264 | JBN | 0.8879 |
265 | 9X7 | 0.8873 |
266 | PUT | 0.8866 |
267 | 3CH | 0.8862 |
268 | T2C | 0.8860 |
269 | MAK | 0.8859 |
270 | NCM | 0.8858 |
271 | MSF | 0.8856 |
272 | PYC | 0.8856 |
273 | TAN | 0.8855 |
274 | BVC | 0.8850 |
275 | IDH | 0.8849 |
276 | BF4 | 0.8845 |
277 | PO4 | 0.8845 |
278 | FPO | 0.8842 |
279 | 2PA | 0.8834 |
280 | 2EZ | 0.8832 |
281 | TB0 | 0.8830 |
282 | MMU | 0.8823 |
283 | EDO | 0.8817 |
284 | ICC | 0.8814 |
285 | 1XX | 0.8812 |
286 | M3T | 0.8808 |
287 | 4H2 | 0.8805 |
288 | 8FH | 0.8801 |
289 | HGQ | 0.8797 |
290 | B3R | 0.8793 |
291 | PAE | 0.8778 |
292 | TP5 | 0.8765 |
293 | HVQ | 0.8762 |
294 | GB | 0.8762 |
295 | RSF | 0.8760 |
296 | 4CH | 0.8755 |
297 | DPR | 0.8753 |
298 | YHO | 0.8732 |
299 | 2MH | 0.8727 |
300 | WBU | 0.8727 |
301 | ECE | 0.8722 |
302 | OSM | 0.8719 |
303 | FUS | 0.8716 |
304 | 284 | 0.8714 |
305 | URF | 0.8707 |
306 | CP | 0.8702 |
307 | 3SY | 0.8697 |
308 | NEQ | 0.8681 |
309 | 273 | 0.8671 |
310 | BML | 0.8670 |
311 | 25R | 0.8665 |
312 | IOL | 0.8665 |
313 | SYN | 0.8665 |
314 | ART | 0.8664 |
315 | MMQ | 0.8663 |
316 | 4JU | 0.8658 |
317 | 1DU | 0.8651 |
318 | 4JN | 0.8650 |
319 | 282 | 0.8622 |
320 | FPY | 0.8603 |
321 | PCR | 0.8600 |
322 | PEJ | 0.8595 |
323 | HQE | 0.8590 |
324 | JZ3 | 0.8587 |
325 | AF3 | 0.8576 |
326 | ABN | 0.8574 |
327 | 4HS | 0.8567 |
328 | HZP | 0.8561 |
This union binding pocket(no: 1) in the query (biounit: 6g9x.bio2) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6g9x.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |