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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 | 3UBW | - | 6SP | C4 H9 N O | C1CNC[C@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3UBW | - | 6SP | C4 H9 N O | C1CNC[C@H].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6SP | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BAQ | 1.0000 |
2 | GBL | 1.0000 |
3 | IPH | 0.9930 |
4 | 3ZS | 0.9916 |
5 | 1CB | 0.9910 |
6 | MZY | 0.9895 |
7 | ATQ | 0.9882 |
8 | 7EX | 0.9879 |
9 | 2IM | 0.9842 |
10 | GOA | 0.9806 |
11 | A2Q | 0.9769 |
12 | OXL | 0.9764 |
13 | 3TR | 0.9733 |
14 | V1L | 0.9729 |
15 | CYH | 0.9717 |
16 | MZ0 | 0.9705 |
17 | OXM | 0.9696 |
18 | HOW | 0.9689 |
19 | L60 | 0.9684 |
20 | CXL | 0.9682 |
21 | 2AI | 0.9682 |
22 | 3MT | 0.9681 |
23 | MR3 | 0.9680 |
24 | 93B | 0.9678 |
25 | OXD | 0.9675 |
26 | AMT | 0.9668 |
27 | FAH | 0.9658 |
28 | 2MZ | 0.9652 |
29 | 5MP | 0.9646 |
30 | GLY | 0.9642 |
31 | HAI | 0.9641 |
32 | 1MZ | 0.9641 |
33 | MB3 | 0.9638 |
34 | NVI | 0.9638 |
35 | PYR | 0.9637 |
36 | KSW | 0.9634 |
37 | 4MZ | 0.9632 |
38 | GLV | 0.9630 |
39 | PPI | 0.9617 |
40 | R3W | 0.9594 |
41 | 2KT | 0.9594 |
42 | 5KX | 0.9589 |
43 | BYZ | 0.9585 |
44 | CEJ | 0.9584 |
45 | JZ6 | 0.9582 |
46 | B20 | 0.9581 |
47 | GOL | 0.9577 |
48 | HAE | 0.9570 |
49 | BNZ | 0.9565 |
50 | PRI | 0.9564 |
51 | NIE | 0.9554 |
52 | ES3 | 0.9550 |
53 | P1R | 0.9549 |
54 | PYZ | 0.9549 |
55 | LAC | 0.9535 |
56 | 0PY | 0.9529 |
57 | LGA | 0.9522 |
58 | 3OH | 0.9518 |
59 | F3V | 0.9507 |
60 | 2AP | 0.9504 |
61 | HVK | 0.9503 |
62 | 3AP | 0.9502 |
63 | AKR | 0.9502 |
64 | WOT | 0.9501 |
65 | 9PO | 0.9496 |
66 | PHZ | 0.9496 |
67 | MMZ | 0.9496 |
68 | HRZ | 0.9492 |
69 | 4AP | 0.9487 |
70 | F50 | 0.9486 |
71 | MBN | 0.9486 |
72 | XAP | 0.9486 |
73 | 2OP | 0.9481 |
74 | HSL | 0.9458 |
75 | BVG | 0.9457 |
76 | HVQ | 0.9453 |
77 | DAL | 0.9444 |
78 | BVC | 0.9438 |
79 | AOA | 0.9437 |
80 | ALA | 0.9433 |
81 | HGY | 0.9431 |
82 | 4AX | 0.9426 |
83 | HBR | 0.9416 |
84 | MLI | 0.9402 |
85 | MLA | 0.9402 |
86 | DGY | 0.9397 |
87 | HUI | 0.9390 |
88 | GXE | 0.9389 |
89 | ETF | 0.9386 |
90 | SER | 0.9371 |
91 | BU4 | 0.9357 |
92 | 26D | 0.9354 |
93 | HIU | 0.9352 |
94 | DSN | 0.9349 |
95 | BAL | 0.9348 |
96 | SMB | 0.9342 |
97 | 1AC | 0.9342 |
98 | 03W | 0.9341 |
99 | PZO | 0.9339 |
100 | 8CL | 0.9332 |
101 | BUA | 0.9325 |
102 | URA | 0.9325 |
103 | 2EZ | 0.9321 |
104 | HYN | 0.9312 |
105 | TTO | 0.9311 |
106 | HVB | 0.9310 |
107 | HUH | 0.9307 |
108 | PXO | 0.9306 |
109 | TRI | 0.9304 |
110 | HHN | 0.9301 |
111 | IMD | 0.9299 |
112 | DMG | 0.9297 |
113 | TAY | 0.9293 |
114 | SAR | 0.9291 |
115 | ALQ | 0.9288 |
116 | 3PY | 0.9284 |
117 | NHY | 0.9283 |
118 | HGW | 0.9282 |
119 | NIS | 0.9279 |
120 | MEU | 0.9278 |
121 | NAK | 0.9277 |
122 | 2A3 | 0.9275 |
123 | PIH | 0.9272 |
124 | BUO | 0.9272 |
125 | DE2 | 0.9272 |
126 | ABA | 0.9269 |
127 | MGX | 0.9263 |
128 | KG7 | 0.9262 |
129 | BUQ | 0.9260 |
130 | NMU | 0.9260 |
131 | 280 | 0.9260 |
132 | BXA | 0.9258 |
133 | AGU | 0.9257 |
134 | HBS | 0.9251 |
135 | TSZ | 0.9249 |
136 | HPY | 0.9243 |
137 | H3M | 0.9241 |
138 | XIX | 0.9240 |
139 | BMD | 0.9238 |
140 | 282 | 0.9236 |
141 | NBE | 0.9232 |
142 | 39J | 0.9231 |
143 | 2A1 | 0.9227 |
144 | 4CH | 0.9226 |
145 | 2RA | 0.9210 |
146 | DXX | 0.9209 |
147 | PYM | 0.9207 |
148 | CYS | 0.9205 |
149 | APY | 0.9205 |
150 | CRS | 0.9205 |
151 | SYN | 0.9200 |
152 | RP7 | 0.9194 |
153 | HGQ | 0.9189 |
154 | HLT | 0.9185 |
155 | DUC | 0.9179 |
156 | 2HA | 0.9175 |
157 | 40O | 0.9171 |
158 | DMI | 0.9170 |
159 | EGD | 0.9169 |
160 | GXV | 0.9164 |
161 | MTG | 0.9160 |
162 | 3GR | 0.9157 |
163 | 3ZQ | 0.9152 |
164 | DTI | 0.9152 |
165 | DCY | 0.9150 |
166 | ABN | 0.9147 |
167 | 24T | 0.9142 |
168 | C2N | 0.9138 |
169 | THR | 0.9137 |
170 | ALF | 0.9131 |
171 | 2HE | 0.9130 |
172 | 61G | 0.9123 |
173 | C5J | 0.9121 |
174 | J3K | 0.9121 |
175 | E60 | 0.9121 |
176 | 4DX | 0.9120 |
177 | 9A4 | 0.9111 |
178 | IDH | 0.9110 |
179 | 4JU | 0.9108 |
180 | ECE | 0.9105 |
181 | A3B | 0.9103 |
182 | 25T | 0.9100 |
183 | PPF | 0.9100 |
184 | HBX | 0.9098 |
185 | 9CL | 0.9097 |
186 | 285 | 0.9095 |
187 | DBB | 0.9083 |
188 | CHT | 0.9074 |
189 | ATO | 0.9070 |
190 | FPI | 0.9069 |
191 | AMC | 0.9067 |
192 | PYJ | 0.9067 |
193 | 1DH | 0.9065 |
194 | 284 | 0.9063 |
195 | 1BP | 0.9062 |
196 | TF4 | 0.9060 |
197 | BML | 0.9050 |
198 | MLM | 0.9048 |
199 | TMO | 0.9048 |
200 | 1MR | 0.9044 |
201 | MMU | 0.9040 |
202 | BEW | 0.9036 |
203 | NCM | 0.9035 |
204 | PRO | 0.9030 |
205 | FW5 | 0.9026 |
206 | 2MH | 0.9025 |
207 | 3CL | 0.9020 |
208 | CAQ | 0.9018 |
209 | 5Y9 | 0.9006 |
210 | HSW | 0.9005 |
211 | BUB | 0.8999 |
212 | RCO | 0.8998 |
213 | ICC | 0.8994 |
214 | ITU | 0.8994 |
215 | LG5 | 0.8992 |
216 | TAN | 0.8984 |
217 | B24 | 0.8982 |
218 | CNH | 0.8982 |
219 | LG3 | 0.8981 |
220 | 3HL | 0.8979 |
221 | 2HP | 0.8977 |
222 | AAE | 0.8976 |
223 | TFB | 0.8969 |
224 | CYT | 0.8952 |
225 | BRP | 0.8947 |
226 | 3CH | 0.8943 |
227 | 8GF | 0.8938 |
228 | 278 | 0.8934 |
229 | 192 | 0.8931 |
230 | VAL | 0.8927 |
231 | 4XX | 0.8927 |
232 | 3BB | 0.8925 |
233 | 1SP | 0.8919 |
234 | JBN | 0.8919 |
235 | BVF | 0.8918 |
236 | VSO | 0.8917 |
237 | OHG | 0.8914 |
238 | P2D | 0.8906 |
239 | ALO | 0.8902 |
240 | HV2 | 0.8900 |
241 | 4HS | 0.8892 |
242 | LG4 | 0.8891 |
243 | IOL | 0.8885 |
244 | 4JN | 0.8878 |
245 | PCR | 0.8878 |
246 | DPR | 0.8878 |
247 | KIV | 0.8873 |
248 | HSE | 0.8869 |
249 | 2PC | 0.8865 |
250 | PY7 | 0.8862 |
251 | PXY | 0.8861 |
252 | FJO | 0.8861 |
253 | CP2 | 0.8859 |
254 | TMT | 0.8855 |
255 | 25R | 0.8851 |
256 | IQ0 | 0.8851 |
257 | TB0 | 0.8849 |
258 | HQE | 0.8843 |
259 | B3R | 0.8837 |
260 | CIG | 0.8834 |
261 | D2P | 0.8828 |
262 | TMZ | 0.8825 |
263 | PRS | 0.8820 |
264 | 3HR | 0.8820 |
265 | 23W | 0.8818 |
266 | FOA | 0.8814 |
267 | 92Z | 0.8814 |
268 | MRY | 0.8811 |
269 | HHQ | 0.8810 |
270 | FP2 | 0.8810 |
271 | TCV | 0.8807 |
272 | 4H2 | 0.8804 |
273 | AKB | 0.8801 |
274 | PLQ | 0.8801 |
275 | 76X | 0.8798 |
276 | LER | 0.8798 |
277 | 1AN | 0.8797 |
278 | HEW | 0.8795 |
279 | 8LG | 0.8794 |
280 | MAK | 0.8789 |
281 | L89 | 0.8784 |
282 | M3T | 0.8782 |
283 | 1DU | 0.8781 |
284 | 2AF | 0.8779 |
285 | 93Q | 0.8777 |
286 | 273 | 0.8774 |
287 | SSN | 0.8765 |
288 | DA1 | 0.8762 |
289 | FPN | 0.8762 |
290 | AF3 | 0.8762 |
291 | IVA | 0.8756 |
292 | XPO | 0.8742 |
293 | RSF | 0.8737 |
294 | 8X3 | 0.8733 |
295 | R2B | 0.8730 |
296 | TAU | 0.8727 |
297 | YHO | 0.8726 |
298 | 938 | 0.8725 |
299 | CP | 0.8723 |
300 | OXE | 0.8710 |
301 | PYF | 0.8709 |
302 | PUT | 0.8708 |
303 | R1X | 0.8695 |
304 | 1XX | 0.8691 |
305 | MMQ | 0.8687 |
306 | HTS | 0.8687 |
307 | 9X7 | 0.8685 |
308 | EDG | 0.8670 |
309 | J1Z | 0.8665 |
310 | 2CH | 0.8658 |
311 | HCS | 0.8658 |
312 | EDO | 0.8656 |
313 | 6X8 | 0.8654 |
314 | 1AB | 0.8651 |
315 | CRD | 0.8636 |
316 | POA | 0.8622 |
317 | LDU | 0.8604 |
318 | ACT | 0.8604 |
319 | JZ0 | 0.8595 |
320 | ACM | 0.8594 |
321 | 2PO | 0.8581 |
322 | ASP | 0.8575 |
323 | BEF | 0.8561 |
324 | DTU | 0.8558 |
325 | SEY | 0.8557 |
This union binding pocket(no: 1) in the query (biounit: 3ubw.bio1) has 5 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3ubw.bio1) has 5 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3ubw.bio2) has 5 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |