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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 1 families. | |||||
1 | 1UK8 | - | LEA | C5 H10 O2 | CCCCC(=O)O |
2 | 1UK6 | - | PPI | C3 H6 O2 | CCC(=O)O |
3 | 1UKA | - | SMB | C5 H10 O2 | CC[C@H](C).... |
4 | 1UK9 | - | IVA | C5 H10 O2 | CC(C)CC(=O.... |
5 | 1IUP | Ki = 2.9 mM | ALQ | C4 H8 O2 | CC(C)C(=O).... |
6 | 1UK7 | - | BUA | C4 H8 O2 | CCCC(=O)O |
7 | 1UKB | Ki = 0.65 mM | BEZ | C7 H6 O2 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4LXI | - | 22J | C12 H8 F2 O4 | c1ccc(c(c1.... |
2 | 4LYE | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
3 | 4LXH | - | C1E | C12 H9 Cl O4 | c1ccc(cc1).... |
4 | 2WUE | - | KEK | C15 H14 Cl O4 | C[C@H](C=C.... |
5 | 5JZS | ic50 = 0.54 mM | FGZ | C7 H4 Cl2 O3 | c1c(cc(c(c.... |
6 | 2WUF | Kd = 51 uM | KEM | C19 H25 O6 | C[C@H](C=C.... |
7 | 2WUG | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
8 | 5JZB | ic50 = 0.41 mM | 6OT | C6 H5 Cl2 N O2 S | c1c(cc(cc1.... |
9 | 3V1M | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
10 | 3V1K | - | MLA | C3 H4 O4 | C(C(=O)O)C.... |
11 | 2PUH | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
12 | 2PUJ | - | HPZ | C12 H10 O4 | c1ccc(cc1).... |
13 | 2RHW | - | C0E | C12 H8 F2 O4 | c1cc(ccc1C.... |
14 | 2RHT | - | C1E | C12 H9 Cl O4 | c1ccc(cc1).... |
15 | 3V1N | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
16 | 1UK8 | - | LEA | C5 H10 O2 | CCCCC(=O)O |
17 | 1UK6 | - | PPI | C3 H6 O2 | CCC(=O)O |
18 | 1UKA | - | SMB | C5 H10 O2 | CC[C@H](C).... |
19 | 1UK9 | - | IVA | C5 H10 O2 | CC(C)CC(=O.... |
20 | 1IUP | Ki = 2.9 mM | ALQ | C4 H8 O2 | CC(C)C(=O).... |
21 | 1UK7 | - | BUA | C4 H8 O2 | CCCC(=O)O |
22 | 1UKB | Ki = 0.65 mM | BEZ | C7 H6 O2 | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DAL | 1.0000 |
2 | OXD | 1.0000 |
3 | OXL | 1.0000 |
4 | HGY | 1.0000 |
5 | OXM | 1.0000 |
6 | ALA | 1.0000 |
7 | BUO | 1.0000 |
8 | NIS | 1.0000 |
9 | PYM | 1.0000 |
10 | LAC | 1.0000 |
11 | 2OP | 1.0000 |
12 | PYR | 1.0000 |
13 | NAK | 0.9963 |
14 | 5Y9 | 0.9946 |
15 | TF4 | 0.9906 |
16 | 2RA | 0.9768 |
17 | HIU | 0.9744 |
18 | DSN | 0.9729 |
19 | SER | 0.9719 |
20 | 1AC | 0.9719 |
21 | DCY | 0.9709 |
22 | FAH | 0.9681 |
23 | DE2 | 0.9659 |
24 | DXX | 0.9658 |
25 | THR | 0.9655 |
26 | DGY | 0.9648 |
27 | GLY | 0.9637 |
28 | GLV | 0.9631 |
29 | AOA | 0.9628 |
30 | NIE | 0.9624 |
31 | CYS | 0.9618 |
32 | MB3 | 0.9615 |
33 | HUI | 0.9609 |
34 | C2N | 0.9608 |
35 | BAL | 0.9603 |
36 | 03W | 0.9600 |
37 | R3W | 0.9596 |
38 | GOA | 0.9589 |
39 | 3PY | 0.9580 |
40 | DBB | 0.9577 |
41 | F3V | 0.9574 |
42 | TAY | 0.9571 |
43 | 3OH | 0.9568 |
44 | 2KT | 0.9568 |
45 | PPI | 0.9566 |
46 | 39J | 0.9557 |
47 | BU4 | 0.9543 |
48 | ABA | 0.9538 |
49 | 2A1 | 0.9533 |
50 | BUQ | 0.9506 |
51 | A3B | 0.9501 |
52 | BUA | 0.9497 |
53 | ALF | 0.9495 |
54 | 3BB | 0.9488 |
55 | PPF | 0.9484 |
56 | HAE | 0.9481 |
57 | BMD | 0.9472 |
58 | BAQ | 0.9472 |
59 | AKR | 0.9468 |
60 | MLI | 0.9457 |
61 | MMZ | 0.9455 |
62 | 2A3 | 0.9453 |
63 | 4AX | 0.9435 |
64 | DMG | 0.9430 |
65 | SAR | 0.9420 |
66 | F50 | 0.9413 |
67 | KG7 | 0.9404 |
68 | MLM | 0.9401 |
69 | MLA | 0.9398 |
70 | HSL | 0.9395 |
71 | HVB | 0.9390 |
72 | BRP | 0.9386 |
73 | GBL | 0.9380 |
74 | 9A4 | 0.9380 |
75 | BUB | 0.9380 |
76 | J3K | 0.9377 |
77 | 3HR | 0.9375 |
78 | HLT | 0.9372 |
79 | GOL | 0.9357 |
80 | BXA | 0.9351 |
81 | EGD | 0.9346 |
82 | KSW | 0.9344 |
83 | 61G | 0.9342 |
84 | 3HL | 0.9341 |
85 | PXO | 0.9340 |
86 | ATQ | 0.9340 |
87 | MRY | 0.9330 |
88 | AAE | 0.9325 |
89 | 3ZS | 0.9318 |
90 | TSZ | 0.9315 |
91 | CP2 | 0.9314 |
92 | AGU | 0.9308 |
93 | 7EX | 0.9297 |
94 | MEU | 0.9296 |
95 | 6SP | 0.9288 |
96 | IPH | 0.9288 |
97 | ATO | 0.9284 |
98 | SLP | 0.9274 |
99 | BNZ | 0.9274 |
100 | NHY | 0.9268 |
101 | 3GR | 0.9266 |
102 | MGX | 0.9263 |
103 | C5J | 0.9261 |
104 | A2Q | 0.9261 |
105 | ETF | 0.9260 |
106 | HV2 | 0.9254 |
107 | 1CB | 0.9239 |
108 | XAP | 0.9233 |
109 | B20 | 0.9231 |
110 | 3MT | 0.9218 |
111 | DMI | 0.9213 |
112 | 23W | 0.9209 |
113 | CHT | 0.9207 |
114 | 0PY | 0.9204 |
115 | P1R | 0.9193 |
116 | DTI | 0.9193 |
117 | MTG | 0.9191 |
118 | 1BP | 0.9189 |
119 | NMU | 0.9188 |
120 | 2HA | 0.9181 |
121 | DTL | 0.9176 |
122 | LER | 0.9176 |
123 | D2P | 0.9167 |
124 | PHZ | 0.9142 |
125 | 3CL | 0.9135 |
126 | ITU | 0.9132 |
127 | GXV | 0.9128 |
128 | 3TR | 0.9113 |
129 | 2IM | 0.9111 |
130 | 2AI | 0.9102 |
131 | V1L | 0.9099 |
132 | 1SP | 0.9096 |
133 | HOW | 0.9093 |
134 | 192 | 0.9090 |
135 | AMT | 0.9088 |
136 | MZ0 | 0.9079 |
137 | P2D | 0.9076 |
138 | L60 | 0.9076 |
139 | CYH | 0.9074 |
140 | TCV | 0.9073 |
141 | CEJ | 0.9068 |
142 | HSW | 0.9063 |
143 | MR3 | 0.9055 |
144 | BEW | 0.9053 |
145 | CXL | 0.9052 |
146 | 93B | 0.9049 |
147 | 3ZQ | 0.9040 |
148 | CAQ | 0.9040 |
149 | 2MZ | 0.9040 |
150 | 4MZ | 0.9039 |
151 | 1MZ | 0.9038 |
152 | 2HE | 0.9037 |
153 | HAI | 0.9030 |
154 | L89 | 0.9027 |
155 | 5MP | 0.9027 |
156 | 9PO | 0.9023 |
157 | 76X | 0.9018 |
158 | 8FH | 0.9013 |
159 | FP2 | 0.9011 |
160 | 1AN | 0.9006 |
161 | 2AF | 0.9004 |
162 | 2HP | 0.9003 |
163 | FMS | 0.8998 |
164 | CNH | 0.8997 |
165 | 40O | 0.8996 |
166 | 03S | 0.8991 |
167 | 93Q | 0.8985 |
168 | ETM | 0.8985 |
169 | DTU | 0.8984 |
170 | SSN | 0.8978 |
171 | OXE | 0.8974 |
172 | 5KX | 0.8972 |
173 | P7I | 0.8965 |
174 | 92Z | 0.8960 |
175 | HRZ | 0.8960 |
176 | MZY | 0.8960 |
177 | 24T | 0.8957 |
178 | DPR | 0.8956 |
179 | HVK | 0.8956 |
180 | HPY | 0.8955 |
181 | PRO | 0.8954 |
182 | 938 | 0.8952 |
183 | 2AP | 0.8951 |
184 | 8LG | 0.8950 |
185 | LGA | 0.8949 |
186 | DCD | 0.8942 |
187 | J1Z | 0.8941 |
188 | NVI | 0.8940 |
189 | TFB | 0.8938 |
190 | 2CH | 0.8936 |
191 | VAL | 0.8935 |
192 | 3AP | 0.8932 |
193 | MBN | 0.8932 |
194 | URA | 0.8924 |
195 | BAE | 0.8918 |
196 | JZ6 | 0.8917 |
197 | 285 | 0.8916 |
198 | DTT | 0.8914 |
199 | 8X3 | 0.8913 |
200 | 26D | 0.8913 |
201 | PRS | 0.8912 |
202 | 280 | 0.8910 |
203 | HTS | 0.8910 |
204 | TRI | 0.8910 |
205 | HYN | 0.8909 |
206 | PZO | 0.8907 |
207 | IMD | 0.8904 |
208 | 4AP | 0.8903 |
209 | WOT | 0.8900 |
210 | HSE | 0.8888 |
211 | PRI | 0.8887 |
212 | ODV | 0.8886 |
213 | BYZ | 0.8885 |
214 | GXE | 0.8883 |
215 | PYZ | 0.8882 |
216 | TFS | 0.8880 |
217 | ICN | 0.8879 |
218 | 6X8 | 0.8879 |
219 | TBU | 0.8874 |
220 | POA | 0.8871 |
221 | 2PC | 0.8867 |
222 | TAU | 0.8865 |
223 | TAN | 0.8865 |
224 | AKB | 0.8864 |
225 | H3M | 0.8863 |
226 | ES3 | 0.8862 |
227 | IQ0 | 0.8860 |
228 | JZ0 | 0.8859 |
229 | HUH | 0.8858 |
230 | VSO | 0.8855 |
231 | 4DX | 0.8854 |
232 | YAN | 0.8848 |
233 | TMO | 0.8848 |
234 | HCS | 0.8846 |
235 | FCN | 0.8836 |
236 | RP7 | 0.8834 |
237 | E60 | 0.8832 |
238 | ALO | 0.8829 |
239 | DUC | 0.8825 |
240 | 273 | 0.8822 |
241 | MSF | 0.8817 |
242 | CRS | 0.8816 |
243 | T2C | 0.8812 |
244 | 2PA | 0.8812 |
245 | PUT | 0.8807 |
246 | TB0 | 0.8796 |
247 | GB | 0.8793 |
248 | HHN | 0.8790 |
249 | BVG | 0.8789 |
250 | 4XX | 0.8788 |
251 | TMZ | 0.8777 |
252 | YHO | 0.8776 |
253 | XIX | 0.8773 |
254 | 2EZ | 0.8767 |
255 | BVC | 0.8767 |
256 | MMU | 0.8760 |
257 | 8CL | 0.8751 |
258 | HGW | 0.8747 |
259 | RCO | 0.8746 |
260 | CSS | 0.8738 |
261 | LG3 | 0.8734 |
262 | HVQ | 0.8724 |
263 | CYT | 0.8709 |
264 | ISU | 0.8705 |
265 | PAE | 0.8704 |
266 | 25T | 0.8701 |
267 | OSM | 0.8699 |
268 | LG5 | 0.8693 |
269 | 4JU | 0.8691 |
270 | EDO | 0.8683 |
271 | JBN | 0.8681 |
272 | PIH | 0.8680 |
273 | TTO | 0.8671 |
274 | IDH | 0.8668 |
275 | MAK | 0.8665 |
276 | RSF | 0.8661 |
277 | FOA | 0.8660 |
278 | MMQ | 0.8658 |
279 | NCM | 0.8657 |
280 | ECE | 0.8652 |
281 | CP | 0.8642 |
282 | 1DH | 0.8639 |
283 | 3SY | 0.8636 |
284 | TMT | 0.8630 |
285 | PYC | 0.8623 |
286 | DZZ | 0.8614 |
287 | 284 | 0.8614 |
288 | TZZ | 0.8611 |
289 | BRJ | 0.8605 |
290 | TP5 | 0.8597 |
291 | MTD | 0.8597 |
292 | IHG | 0.8595 |
293 | 2MH | 0.8595 |
This union binding pocket(no: 1) in the query (biounit: 1iup.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1iup.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1iup.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1iup.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1iup.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1iup.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |