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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 3 families. | |||||
1 | 2WUE | - | KEK | C15 H14 Cl O4 | C[C@H](C=C.... |
2 | 5JZS | ic50 = 0.54 mM | FGZ | C7 H4 Cl2 O3 | c1c(cc(c(c.... |
3 | 2WUF | Kd = 51 uM | KEM | C19 H25 O6 | C[C@H](C=C.... |
4 | 2WUG | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
5 | 5JZB | ic50 = 0.41 mM | 6OT | C6 H5 Cl2 N O2 S | c1c(cc(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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HPK | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | HPZ | 0.9994 |
2 | SZA | 0.9471 |
3 | 22J | 0.9413 |
4 | FTK | 0.9390 |
5 | 0QA | 0.9365 |
6 | C1E | 0.9353 |
7 | BZM | 0.9343 |
8 | HPX | 0.9332 |
9 | 4Z0 | 0.9318 |
10 | 00G | 0.9303 |
11 | K0G | 0.9269 |
12 | C0V | 0.9267 |
13 | C0E | 0.9237 |
14 | BSA | 0.9235 |
15 | CT0 | 0.9204 |
16 | RKY | 0.9185 |
17 | BP5 | 0.9185 |
18 | S0B | 0.9173 |
19 | IPJ | 0.9163 |
20 | 8CV | 0.9158 |
21 | PB2 | 0.9148 |
22 | BXS | 0.9146 |
23 | 0OM | 0.9146 |
24 | BSU | 0.9141 |
25 | HTK | 0.9121 |
26 | TPM | 0.9119 |
27 | 49G | 0.9119 |
28 | 0QX | 0.9112 |
29 | F91 | 0.9102 |
30 | ESJ | 0.9101 |
31 | SE5 | 0.9098 |
32 | OGY | 0.9098 |
33 | D9Q | 0.9086 |
34 | JVB | 0.9068 |
35 | LFK | 0.9063 |
36 | N08 | 0.9060 |
37 | D26 | 0.9060 |
38 | N0H | 0.9060 |
39 | LJ1 | 0.9058 |
40 | N18 | 0.9054 |
41 | RDV | 0.9053 |
42 | 245 | 0.9047 |
43 | IJ6 | 0.9045 |
44 | D25 | 0.9041 |
45 | 5TO | 0.9032 |
46 | KPV | 0.9022 |
47 | CIU | 0.9014 |
48 | EX7 | 0.9014 |
49 | 49Z | 0.9009 |
50 | 83D | 0.9006 |
51 | S0A | 0.9006 |
52 | 2L1 | 0.9004 |
53 | WA1 | 0.9003 |
54 | 9RK | 0.9002 |
55 | IAG | 0.8997 |
56 | GHQ | 0.8994 |
57 | ZTW | 0.8991 |
58 | MKN | 0.8980 |
59 | ZE7 | 0.8974 |
60 | PIT | 0.8973 |
61 | 20P | 0.8973 |
62 | 6IP | 0.8968 |
63 | G2V | 0.8967 |
64 | LJ5 | 0.8964 |
65 | 5ER | 0.8963 |
66 | LJ2 | 0.8953 |
67 | PZX | 0.8952 |
68 | OX3 | 0.8952 |
69 | 1Q2 | 0.8950 |
70 | TEF | 0.8950 |
71 | SVG | 0.8949 |
72 | 1PB | 0.8946 |
73 | F41 | 0.8945 |
74 | HDI | 0.8944 |
75 | FZ3 | 0.8942 |
76 | IW4 | 0.8937 |
77 | Q86 | 0.8936 |
78 | OA5 | 0.8936 |
79 | S8P | 0.8927 |
80 | NRG | 0.8925 |
81 | STL | 0.8923 |
82 | RE2 | 0.8923 |
83 | SJR | 0.8919 |
84 | N5B | 0.8917 |
85 | BVB | 0.8915 |
86 | 0QR | 0.8914 |
87 | NAL | 0.8912 |
88 | 4VC | 0.8909 |
89 | D53 | 0.8908 |
90 | QTK | 0.8905 |
91 | JBB | 0.8903 |
92 | 0V7 | 0.8902 |
93 | REG | 0.8901 |
94 | OLU | 0.8897 |
95 | PHQ ALA | 0.8893 |
96 | 2OX | 0.8891 |
97 | C4F | 0.8887 |
98 | JF5 | 0.8886 |
99 | BFL | 0.8885 |
100 | 6H2 | 0.8884 |
101 | 9JT | 0.8883 |
102 | HPF | 0.8882 |
103 | 68C | 0.8880 |
104 | 109 | 0.8876 |
105 | UV4 | 0.8875 |
106 | DIH | 0.8872 |
107 | IPL | 0.8872 |
108 | B5A | 0.8872 |
109 | Z3R | 0.8870 |
110 | 6C5 | 0.8869 |
111 | JOT | 0.8867 |
112 | 11X | 0.8864 |
113 | 3CX | 0.8864 |
114 | IEE | 0.8861 |
115 | ZUF | 0.8860 |
116 | 35K | 0.8855 |
117 | SFY | 0.8854 |
118 | 6NF | 0.8852 |
119 | F5N | 0.8852 |
120 | IJ1 | 0.8848 |
121 | 6C8 | 0.8846 |
122 | 3K1 | 0.8845 |
123 | 6FR | 0.8842 |
124 | IW3 | 0.8839 |
125 | RF2 | 0.8839 |
126 | 9OD | 0.8839 |
127 | 0ON | 0.8837 |
128 | 1R5 | 0.8836 |
129 | OJD | 0.8832 |
130 | JP8 | 0.8831 |
131 | ZEA | 0.8829 |
132 | IJ4 | 0.8828 |
133 | VGV | 0.8827 |
134 | JON | 0.8826 |
135 | 68B | 0.8824 |
136 | WA2 | 0.8823 |
137 | HRG | 0.8822 |
138 | 0MB | 0.8820 |
139 | IW5 | 0.8820 |
140 | P4T | 0.8818 |
141 | NFZ | 0.8817 |
142 | CWP | 0.8816 |
143 | 5R9 | 0.8815 |
144 | 246 | 0.8813 |
145 | 397 | 0.8813 |
146 | STV | 0.8810 |
147 | S45 | 0.8809 |
148 | MFY | 0.8809 |
149 | EEY | 0.8805 |
150 | 3NM | 0.8804 |
151 | 41L | 0.8798 |
152 | L02 | 0.8798 |
153 | 0H9 | 0.8793 |
154 | 7ZO | 0.8792 |
155 | 135 | 0.8788 |
156 | NC4 | 0.8785 |
157 | HJ1 | 0.8785 |
158 | GJG | 0.8784 |
159 | 4TX | 0.8784 |
160 | 39R | 0.8780 |
161 | HL6 | 0.8779 |
162 | DZ3 | 0.8773 |
163 | 3G3 | 0.8771 |
164 | FIP | 0.8771 |
165 | 9EG | 0.8768 |
166 | 1UA | 0.8768 |
167 | JTE | 0.8767 |
168 | SYD | 0.8767 |
169 | 23M | 0.8767 |
170 | 0XR | 0.8762 |
171 | JCQ | 0.8762 |
172 | JTK | 0.8757 |
173 | C4E | 0.8753 |
174 | JP5 | 0.8753 |
175 | A06 | 0.8751 |
176 | 7KE | 0.8746 |
177 | 2JP | 0.8745 |
178 | M25 | 0.8740 |
179 | 5V0 | 0.8739 |
180 | WCU | 0.8736 |
181 | TFQ | 0.8735 |
182 | DTB | 0.8735 |
183 | JL7 | 0.8734 |
184 | 0OP | 0.8732 |
185 | HAR | 0.8732 |
186 | 27K | 0.8730 |
187 | TVC | 0.8729 |
188 | CBE | 0.8728 |
189 | 0V8 | 0.8726 |
190 | 2L2 | 0.8723 |
191 | MQR | 0.8721 |
192 | H50 | 0.8715 |
193 | HHB | 0.8714 |
194 | 6XR | 0.8713 |
195 | 3S9 | 0.8711 |
196 | M5A | 0.8711 |
197 | 1KJ | 0.8710 |
198 | 0X2 | 0.8710 |
199 | 5EZ | 0.8710 |
200 | 8CC | 0.8709 |
201 | 856 | 0.8708 |
202 | J3B | 0.8707 |
203 | K3T | 0.8704 |
204 | 4CN | 0.8702 |
205 | KAP | 0.8701 |
206 | 5M2 | 0.8699 |
207 | N9M | 0.8698 |
208 | HAU | 0.8697 |
209 | FLP | 0.8697 |
210 | RPI | 0.8697 |
211 | AX5 | 0.8696 |
212 | 4BX | 0.8695 |
213 | 4FC | 0.8694 |
214 | J2N | 0.8694 |
215 | ZEZ | 0.8693 |
216 | 7HV | 0.8692 |
217 | 120 | 0.8692 |
218 | 8EU | 0.8690 |
219 | OH4 | 0.8690 |
220 | TID | 0.8689 |
221 | KLS | 0.8686 |
222 | BMZ | 0.8685 |
223 | AX6 | 0.8684 |
224 | B7U | 0.8679 |
225 | ALY | 0.8678 |
226 | 2WP | 0.8677 |
227 | 6P3 | 0.8677 |
228 | WW3 | 0.8675 |
229 | RB7 | 0.8675 |
230 | GW9 | 0.8674 |
231 | Y27 | 0.8673 |
232 | 47X | 0.8668 |
233 | ZYC | 0.8666 |
234 | 0NJ | 0.8665 |
235 | E6Q | 0.8665 |
236 | GB2 | 0.8665 |
237 | 5HG | 0.8660 |
238 | 4ZW | 0.8660 |
239 | 1Q1 | 0.8655 |
240 | D2S | 0.8652 |
241 | WDW | 0.8651 |
242 | LR2 | 0.8650 |
243 | 833 | 0.8649 |
244 | G3P IDM | 0.8648 |
245 | 08D | 0.8646 |
246 | 531 | 0.8646 |
247 | HJD | 0.8645 |
248 | MYT | 0.8644 |
249 | IGP | 0.8643 |
250 | F63 | 0.8643 |
251 | KWK | 0.8638 |
252 | EEK | 0.8637 |
253 | 5VU | 0.8637 |
254 | TVZ | 0.8635 |
255 | F7L | 0.8634 |
256 | M62 | 0.8634 |
257 | 0LA | 0.8627 |
258 | J1K | 0.8624 |
259 | B15 | 0.8623 |
260 | 1OT | 0.8619 |
261 | D4G | 0.8619 |
262 | 801 | 0.8619 |
263 | 7EH | 0.8618 |
264 | 1EB | 0.8618 |
265 | LIT | 0.8615 |
266 | BGK | 0.8615 |
267 | NK5 | 0.8610 |
268 | D8W | 0.8606 |
269 | DNN | 0.8606 |
270 | BTN | 0.8604 |
271 | GGG | 0.8603 |
272 | LPA | 0.8603 |
273 | M29 | 0.8602 |
274 | AD6 | 0.8599 |
275 | A26 | 0.8598 |
276 | H6P | 0.8597 |
277 | KU1 | 0.8596 |
278 | DES | 0.8593 |
279 | 4P9 | 0.8592 |
280 | 2P3 | 0.8586 |
281 | CMZ | 0.8583 |
282 | CR4 | 0.8582 |
283 | WF4 | 0.8580 |
284 | 72D | 0.8578 |
285 | 5NR | 0.8573 |
286 | EES | 0.8572 |
287 | 5TT | 0.8567 |
288 | U55 | 0.8565 |
289 | 0B3 | 0.8557 |
290 | 4ZF | 0.8555 |
291 | NHP | 0.8555 |
292 | 124 | 0.8546 |
293 | KEK | 0.8526 |
294 | PMM | 0.8511 |
295 | 7G2 | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 2wuf.bio2) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2wuf.bio2) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |