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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 8 families. | |||||
1 | 3PNQ | - | 2HA | C3 H6 O3 | C(C(=O)CO).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 3PNQ | - | 2HA | C3 H6 O3 | C(C(=O)CO).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MEU | 1.0000 |
2 | GOL | 1.0000 |
3 | ABA | 1.0000 |
4 | CYS | 1.0000 |
5 | GXV | 0.9985 |
6 | MMU | 0.9972 |
7 | 3GR | 0.9963 |
8 | D2P | 0.9687 |
9 | HIU | 0.9646 |
10 | SER | 0.9633 |
11 | DSN | 0.9608 |
12 | GLY | 0.9597 |
13 | HAE | 0.9592 |
14 | FAH | 0.9557 |
15 | TSZ | 0.9556 |
16 | 2KT | 0.9549 |
17 | F3V | 0.9532 |
18 | AKR | 0.9529 |
19 | C2N | 0.9524 |
20 | GLV | 0.9517 |
21 | PPI | 0.9502 |
22 | KG7 | 0.9501 |
23 | FW5 | 0.9494 |
24 | HVB | 0.9492 |
25 | PXO | 0.9483 |
26 | ALA | 0.9471 |
27 | 03W | 0.9463 |
28 | 13D | 0.9461 |
29 | F50 | 0.9457 |
30 | NMU | 0.9454 |
31 | PUT | 0.9450 |
32 | 2RA | 0.9446 |
33 | DGY | 0.9435 |
34 | SMB | 0.9427 |
35 | HUI | 0.9421 |
36 | 9A4 | 0.9417 |
37 | CEJ | 0.9410 |
38 | 2A1 | 0.9408 |
39 | NIE | 0.9407 |
40 | P2D | 0.9401 |
41 | 61G | 0.9393 |
42 | 25T | 0.9380 |
43 | SAR | 0.9379 |
44 | TCV | 0.9378 |
45 | 1BP | 0.9361 |
46 | 2A3 | 0.9359 |
47 | BXO | 0.9359 |
48 | BRP | 0.9354 |
49 | DBB | 0.9353 |
50 | MGX | 0.9352 |
51 | PRI | 0.9350 |
52 | 3CL | 0.9349 |
53 | 1DH | 0.9347 |
54 | A3B | 0.9347 |
55 | NHY | 0.9344 |
56 | MZ0 | 0.9338 |
57 | XAP | 0.9335 |
58 | PYR | 0.9330 |
59 | OXL | 0.9329 |
60 | CRD | 0.9325 |
61 | 1CB | 0.9323 |
62 | MLA | 0.9314 |
63 | OXM | 0.9313 |
64 | DXX | 0.9309 |
65 | 3MT | 0.9305 |
66 | 4JU | 0.9300 |
67 | 1SP | 0.9294 |
68 | BAQ | 0.9293 |
69 | LAC | 0.9291 |
70 | DCY | 0.9286 |
71 | HYN | 0.9284 |
72 | DMG | 0.9282 |
73 | AGU | 0.9281 |
74 | 39J | 0.9278 |
75 | 2OP | 0.9278 |
76 | AOA | 0.9277 |
77 | R3W | 0.9275 |
78 | ATO | 0.9274 |
79 | XIX | 0.9271 |
80 | OXD | 0.9264 |
81 | 4MZ | 0.9263 |
82 | CP2 | 0.9261 |
83 | BUA | 0.9257 |
84 | BVC | 0.9256 |
85 | 24T | 0.9252 |
86 | ITU | 0.9252 |
87 | GBL | 0.9239 |
88 | 2MZ | 0.9238 |
89 | BVG | 0.9234 |
90 | BAL | 0.9232 |
91 | BUO | 0.9231 |
92 | NAK | 0.9231 |
93 | 9X7 | 0.9229 |
94 | SGL | 0.9228 |
95 | IPH | 0.9226 |
96 | CXL | 0.9225 |
97 | MLI | 0.9223 |
98 | 3BB | 0.9222 |
99 | 3OH | 0.9222 |
100 | 2MH | 0.9218 |
101 | HVQ | 0.9217 |
102 | DAL | 0.9216 |
103 | NVI | 0.9212 |
104 | 1AC | 0.9210 |
105 | THR | 0.9208 |
106 | BUQ | 0.9204 |
107 | BU4 | 0.9198 |
108 | ATQ | 0.9197 |
109 | 9YL | 0.9186 |
110 | HBR | 0.9183 |
111 | ALQ | 0.9181 |
112 | EGD | 0.9176 |
113 | DE2 | 0.9175 |
114 | 6SP | 0.9175 |
115 | 5KX | 0.9175 |
116 | 1KA | 0.9171 |
117 | JZ6 | 0.9170 |
118 | SSN | 0.9169 |
119 | BYZ | 0.9169 |
120 | AMT | 0.9158 |
121 | C5J | 0.9157 |
122 | 9A7 | 0.9154 |
123 | PRO | 0.9154 |
124 | CYH | 0.9153 |
125 | MB3 | 0.9149 |
126 | PXY | 0.9148 |
127 | 1MZ | 0.9146 |
128 | FPI | 0.9143 |
129 | HGY | 0.9139 |
130 | GXE | 0.9133 |
131 | 7EX | 0.9131 |
132 | LG4 | 0.9130 |
133 | HSL | 0.9129 |
134 | AMC | 0.9125 |
135 | 3TR | 0.9125 |
136 | ETX | 0.9125 |
137 | E60 | 0.9125 |
138 | HQE | 0.9124 |
139 | VAL | 0.9124 |
140 | ES3 | 0.9122 |
141 | J3K | 0.9116 |
142 | 25R | 0.9114 |
143 | BMD | 0.9113 |
144 | KSW | 0.9111 |
145 | PYZ | 0.9107 |
146 | MBN | 0.9107 |
147 | PCR | 0.9105 |
148 | PE9 | 0.9103 |
149 | HOW | 0.9103 |
150 | KIV | 0.9097 |
151 | 2IM | 0.9094 |
152 | HAI | 0.9094 |
153 | 2AI | 0.9093 |
154 | BML | 0.9090 |
155 | MAK | 0.9088 |
156 | HSE | 0.9087 |
157 | ETF | 0.9078 |
158 | PLQ | 0.9077 |
159 | A2Q | 0.9073 |
160 | MZY | 0.9072 |
161 | MR3 | 0.9065 |
162 | DA1 | 0.9065 |
163 | FPN | 0.9064 |
164 | 4HA | 0.9064 |
165 | AKB | 0.9054 |
166 | OHG | 0.9053 |
167 | 4AX | 0.9052 |
168 | MMZ | 0.9049 |
169 | 3ZS | 0.9047 |
170 | TF4 | 0.9046 |
171 | 9PO | 0.9044 |
172 | 2AP | 0.9044 |
173 | AAE | 0.9043 |
174 | 3AP | 0.9041 |
175 | HVK | 0.9039 |
176 | BXA | 0.9037 |
177 | 2EZ | 0.9037 |
178 | URA | 0.9037 |
179 | WOT | 0.9036 |
180 | HRZ | 0.9029 |
181 | 5MP | 0.9027 |
182 | ABU | 0.9021 |
183 | 4HS | 0.9020 |
184 | NBN | 0.9016 |
185 | CHT | 0.9014 |
186 | AML | 0.9013 |
187 | FOA | 0.9008 |
188 | TAN | 0.9008 |
189 | LGA | 0.9006 |
190 | NIS | 0.9005 |
191 | 4CH | 0.9004 |
192 | MTG | 0.8996 |
193 | TP5 | 0.8993 |
194 | 4AP | 0.8987 |
195 | HBS | 0.8986 |
196 | SYN | 0.8986 |
197 | SIN | 0.8985 |
198 | FUM | 0.8985 |
199 | TFB | 0.8985 |
200 | 4JN | 0.8984 |
201 | 273 | 0.8979 |
202 | LER | 0.8976 |
203 | 8CL | 0.8975 |
204 | CRS | 0.8973 |
205 | 282 | 0.8972 |
206 | BUB | 0.8971 |
207 | ALO | 0.8971 |
208 | HCS | 0.8971 |
209 | NMG | 0.8966 |
210 | BP9 | 0.8951 |
211 | 7CL | 0.8950 |
212 | TTO | 0.8944 |
213 | HHN | 0.8943 |
214 | HSW | 0.8940 |
215 | MLM | 0.8938 |
216 | MAE | 0.8938 |
217 | IHG | 0.8935 |
218 | MZW | 0.8931 |
219 | LEA | 0.8928 |
220 | 192 | 0.8927 |
221 | MRY | 0.8926 |
222 | VSO | 0.8919 |
223 | IOL | 0.8918 |
224 | V1L | 0.8916 |
225 | 285 | 0.8912 |
226 | HBX | 0.8907 |
227 | T2C | 0.8903 |
228 | J1Z | 0.8900 |
229 | 2HE | 0.8900 |
230 | DTL | 0.8900 |
231 | HV2 | 0.8900 |
232 | O8Y | 0.8898 |
233 | PIH | 0.8895 |
234 | SLP | 0.8894 |
235 | TMZ | 0.8894 |
236 | PYC | 0.8889 |
237 | BAE | 0.8888 |
238 | PY7 | 0.8888 |
239 | IPU | 0.8885 |
240 | ISU | 0.8883 |
241 | 93B | 0.8882 |
242 | 23W | 0.8881 |
243 | 69O | 0.8880 |
244 | L60 | 0.8880 |
245 | ABN | 0.8880 |
246 | 3HL | 0.8877 |
247 | APY | 0.8877 |
248 | 2PC | 0.8875 |
249 | C21 | 0.8871 |
250 | PYJ | 0.8870 |
251 | HGW | 0.8865 |
252 | 280 | 0.8864 |
253 | BBU | 0.8862 |
254 | 265 | 0.8856 |
255 | 5Y9 | 0.8855 |
256 | MSF | 0.8850 |
257 | DTU | 0.8850 |
258 | 0CL | 0.8849 |
259 | IVA | 0.8849 |
260 | 4XX | 0.8843 |
261 | 3HR | 0.8832 |
262 | SMV | 0.8825 |
263 | DCE | 0.8818 |
264 | H3M | 0.8814 |
265 | BTL | 0.8814 |
266 | 8FH | 0.8811 |
267 | PYM | 0.8809 |
268 | CSS | 0.8805 |
269 | HDA | 0.8803 |
270 | B24 | 0.8801 |
271 | 1MR | 0.8800 |
272 | JBN | 0.8791 |
273 | TMT | 0.8789 |
274 | POA | 0.8779 |
275 | PYF | 0.8777 |
276 | 1DU | 0.8771 |
277 | DTI | 0.8768 |
278 | PRS | 0.8762 |
279 | FJO | 0.8760 |
280 | 278 | 0.8759 |
281 | XPO | 0.8755 |
282 | NBE | 0.8753 |
283 | DZZ | 0.8748 |
284 | MMQ | 0.8747 |
285 | JZ5 | 0.8736 |
286 | ETM | 0.8734 |
287 | NVA | 0.8734 |
288 | BRJ | 0.8734 |
289 | RCO | 0.8733 |
290 | ICN | 0.8726 |
291 | ODV | 0.8726 |
292 | VX | 0.8723 |
293 | 9CL | 0.8722 |
294 | TAU | 0.8716 |
295 | DAB | 0.8714 |
296 | IQ0 | 0.8707 |
297 | DPR | 0.8705 |
298 | 4MV | 0.8705 |
299 | 8X3 | 0.8701 |
300 | DTT | 0.8693 |
301 | AXO | 0.8678 |
302 | HX2 | 0.8661 |
303 | EDO | 0.8650 |
304 | NOE | 0.8641 |
305 | P7I | 0.8609 |
306 | UY7 | 0.8550 |
307 | 3BR | 0.8504 |
This union binding pocket(no: 1) in the query (biounit: 3pnq.bio2) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |