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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3CF8 | Ki = 12.7 uM | QUE | C15 H10 O7 | c1cc(c(cc1.... |
2 | 3DOZ | ic50 = 1.98 uM | 3BE | C14 H9 Br3 N2 O3 | c1cc(cc(c1.... |
3 | 3ED0 | Kd = 0.45 uM | EMO | C15 H10 O5 | Cc1cc2c(c(.... |
4 | 3B7J | Ki = 6.8 uM | JUG | C10 H6 O3 | c1cc2c(c(c.... |
5 | 3DP3 | ic50 = 1.52 uM | 4BB | C18 H18 Br2 N2 O3 | CC(C)(C)c1.... |
6 | 3DP2 | ic50 = 1.5 uM | 4BE | C14 H9 Br3 N2 O3 | c1cc(ccc1C.... |
7 | 3DP1 | ic50 = 9.92 uM | 2RB | C15 H12 Br2 N2 O4 | COc1ccc(cc.... |
8 | 3D04 | Ki = 0.9 uM | SAK | C16 H14 O5 | COc1cc(c2c.... |
9 | 3DP0 | ic50 = 1.42 uM | 2BC | C18 H12 Br2 N2 O3 | c1ccc2cc(c.... |
10 | 3DOY | ic50 = 1.52 uM | 2BE | C14 H9 Br2 Cl N2 O3 | c1cc(ccc1C.... |
11 | 2GLP | Ki = 9.7 uM | BDE | C13 H9 Br2 N3 O3 | c1cc(cnc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3CF8 | Ki = 12.7 uM | QUE | C15 H10 O7 | c1cc(c(cc1.... |
2 | 3DOZ | ic50 = 1.98 uM | 3BE | C14 H9 Br3 N2 O3 | c1cc(cc(c1.... |
3 | 3ED0 | Kd = 0.45 uM | EMO | C15 H10 O5 | Cc1cc2c(c(.... |
4 | 3B7J | Ki = 6.8 uM | JUG | C10 H6 O3 | c1cc2c(c(c.... |
5 | 3DP3 | ic50 = 1.52 uM | 4BB | C18 H18 Br2 N2 O3 | CC(C)(C)c1.... |
6 | 3DP2 | ic50 = 1.5 uM | 4BE | C14 H9 Br3 N2 O3 | c1cc(ccc1C.... |
7 | 3DP1 | ic50 = 9.92 uM | 2RB | C15 H12 Br2 N2 O4 | COc1ccc(cc.... |
8 | 3D04 | Ki = 0.9 uM | SAK | C16 H14 O5 | COc1cc(c2c.... |
9 | 3DP0 | ic50 = 1.42 uM | 2BC | C18 H12 Br2 N2 O3 | c1ccc2cc(c.... |
10 | 3DOY | ic50 = 1.52 uM | 2BE | C14 H9 Br2 Cl N2 O3 | c1cc(ccc1C.... |
11 | 2GLP | Ki = 9.7 uM | BDE | C13 H9 Br2 N3 O3 | c1cc(cnc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6B5 | 0.9761 |
2 | AGI | 0.9690 |
3 | O9Z | 0.9690 |
4 | LU2 | 0.9683 |
5 | O9T | 0.9677 |
6 | 7LU | 0.9650 |
7 | J8G | 0.9627 |
8 | KMP | 0.9621 |
9 | 3JC | 0.9576 |
10 | QUE | 0.9574 |
11 | J8D | 0.9574 |
12 | 57D | 0.9521 |
13 | 3WL | 0.9480 |
14 | DDC | 0.9467 |
15 | MRI | 0.9462 |
16 | OSY | 0.9461 |
17 | DQH | 0.9430 |
18 | O9Q | 0.9426 |
19 | DH2 | 0.9396 |
20 | FSE | 0.9348 |
21 | 3TI | 0.9334 |
22 | HUL | 0.9329 |
23 | 6BK | 0.9319 |
24 | MYC | 0.9316 |
25 | KXN | 0.9311 |
26 | DX8 | 0.9301 |
27 | 0H5 | 0.9301 |
28 | SGW | 0.9296 |
29 | AJ6 | 0.9294 |
30 | 28E | 0.9293 |
31 | NU3 | 0.9274 |
32 | H32 | 0.9253 |
33 | IRH | 0.9245 |
34 | HWB | 0.9238 |
35 | MYU | 0.9236 |
36 | CC6 | 0.9229 |
37 | EGT | 0.9226 |
38 | AX1 | 0.9220 |
39 | M16 | 0.9213 |
40 | BJ4 | 0.9211 |
41 | NKI | 0.9204 |
42 | E9L | 0.9197 |
43 | AJ4 | 0.9197 |
44 | A63 | 0.9192 |
45 | 1R5 | 0.9182 |
46 | 5WW | 0.9181 |
47 | CDJ | 0.9171 |
48 | 5DE | 0.9171 |
49 | SZ5 | 0.9158 |
50 | 25F | 0.9151 |
51 | H2W | 0.9148 |
52 | 7G2 | 0.9136 |
53 | 1V1 | 0.9135 |
54 | 08C | 0.9133 |
55 | 3F4 | 0.9132 |
56 | A73 | 0.9130 |
57 | 20D | 0.9122 |
58 | BHF | 0.9117 |
59 | W8L | 0.9114 |
60 | HCC | 0.9096 |
61 | 1UZ | 0.9095 |
62 | VT3 | 0.9088 |
63 | 6JM | 0.9088 |
64 | 9K2 | 0.9084 |
65 | 697 | 0.9083 |
66 | 91F | 0.9074 |
67 | GKW | 0.9074 |
68 | IMK | 0.9066 |
69 | M3W | 0.9065 |
70 | TH1 | 0.9057 |
71 | 40N | 0.9056 |
72 | LZ7 | 0.9056 |
73 | 27F | 0.9050 |
74 | BUX | 0.9043 |
75 | 1V8 | 0.9042 |
76 | T86 | 0.9037 |
77 | GQE | 0.9030 |
78 | 8E3 | 0.9029 |
79 | D4X | 0.9028 |
80 | 4L2 | 0.9025 |
81 | CU5 | 0.9018 |
82 | 3XL | 0.9016 |
83 | 1UT | 0.9011 |
84 | ML1 | 0.9009 |
85 | A64 | 0.9002 |
86 | 1V0 | 0.9000 |
87 | 15Q | 0.8997 |
88 | 1Q4 | 0.8995 |
89 | RGK | 0.8992 |
90 | SU9 | 0.8990 |
91 | B4L | 0.8988 |
92 | 6XC | 0.8988 |
93 | 8EC | 0.8982 |
94 | 1UR | 0.8982 |
95 | OUA | 0.8981 |
96 | 01I | 0.8980 |
97 | OUG | 0.8973 |
98 | 123 | 0.8972 |
99 | BU7 | 0.8967 |
100 | Q12 | 0.8966 |
101 | 3GX | 0.8966 |
102 | 7L4 | 0.8962 |
103 | L3L | 0.8962 |
104 | GOW | 0.8959 |
105 | BIT | 0.8956 |
106 | 8E6 | 0.8955 |
107 | GQZ | 0.8952 |
108 | WLH | 0.8951 |
109 | X2L | 0.8951 |
110 | 553 | 0.8950 |
111 | 797 | 0.8941 |
112 | NPZ | 0.8940 |
113 | 7VF | 0.8939 |
114 | T34 | 0.8938 |
115 | 5NN | 0.8938 |
116 | 1HP | 0.8935 |
117 | 9XZ | 0.8934 |
118 | AOB | 0.8934 |
119 | 3DE | 0.8934 |
120 | 4YF | 0.8933 |
121 | FY8 | 0.8932 |
122 | F40 | 0.8929 |
123 | T61 | 0.8929 |
124 | SNJ | 0.8926 |
125 | XZ1 | 0.8924 |
126 | BRY | 0.8921 |
127 | F36 | 0.8921 |
128 | 97K | 0.8920 |
129 | 25K | 0.8915 |
130 | 6DQ | 0.8906 |
131 | BL7 | 0.8905 |
132 | BL6 | 0.8903 |
133 | NYJ | 0.8898 |
134 | QS4 | 0.8895 |
135 | FL9 | 0.8890 |
136 | 4K2 | 0.8889 |
137 | 8HH | 0.8885 |
138 | D64 | 0.8883 |
139 | T5J | 0.8875 |
140 | Q11 | 0.8875 |
141 | IPJ | 0.8874 |
142 | 6JO | 0.8871 |
143 | P4L | 0.8867 |
144 | D4O | 0.8866 |
145 | GEN | 0.8866 |
146 | YL3 | 0.8865 |
147 | 338 | 0.8863 |
148 | 6QX | 0.8862 |
149 | 76P | 0.8861 |
150 | DX7 | 0.8860 |
151 | ECZ | 0.8860 |
152 | 334 | 0.8855 |
153 | K4T | 0.8853 |
154 | 7FC | 0.8852 |
155 | AJ8 | 0.8852 |
156 | 1V4 | 0.8850 |
157 | G2V | 0.8846 |
158 | ML2 | 0.8843 |
159 | 907 | 0.8839 |
160 | Q92 | 0.8838 |
161 | TVC | 0.8838 |
162 | 9CE | 0.8834 |
163 | NIF | 0.8834 |
164 | 6DE | 0.8834 |
165 | BZC | 0.8832 |
166 | O53 | 0.8832 |
167 | 8M5 | 0.8832 |
168 | P34 | 0.8831 |
169 | TYP | 0.8828 |
170 | FL8 | 0.8827 |
171 | 3Q0 | 0.8826 |
172 | 1V3 | 0.8825 |
173 | K8W | 0.8825 |
174 | ZRL | 0.8825 |
175 | FZB | 0.8823 |
176 | MXM | 0.8822 |
177 | DN8 | 0.8820 |
178 | XYP XIM | 0.8816 |
179 | LI7 | 0.8813 |
180 | I0D | 0.8812 |
181 | 4L6 | 0.8812 |
182 | X8E | 0.8809 |
183 | GT2 | 0.8807 |
184 | RPB | 0.8806 |
185 | TGW | 0.8802 |
186 | M08 | 0.8802 |
187 | EBB | 0.8801 |
188 | NW1 | 0.8798 |
189 | 1FL | 0.8798 |
190 | JYM | 0.8796 |
191 | KS5 | 0.8795 |
192 | 694 | 0.8793 |
193 | OSJ | 0.8792 |
194 | 29F | 0.8790 |
195 | CMG | 0.8790 |
196 | BUN | 0.8783 |
197 | X8I | 0.8779 |
198 | 3WJ | 0.8779 |
199 | 3RL | 0.8778 |
200 | 3CA | 0.8778 |
201 | D5F | 0.8777 |
202 | IDD | 0.8775 |
203 | 57U | 0.8773 |
204 | EEY | 0.8772 |
205 | FX5 | 0.8770 |
206 | 0O7 | 0.8769 |
207 | B7H | 0.8767 |
208 | 79X | 0.8767 |
209 | LVY | 0.8766 |
210 | 5ZM | 0.8763 |
211 | MT6 | 0.8762 |
212 | QUG | 0.8760 |
213 | 499 | 0.8758 |
214 | 43O | 0.8757 |
215 | 3WK | 0.8757 |
216 | 802 | 0.8757 |
217 | IW6 | 0.8751 |
218 | 6TJ | 0.8749 |
219 | OT4 | 0.8745 |
220 | 1K0 | 0.8743 |
221 | 5KN | 0.8741 |
222 | 2UV | 0.8741 |
223 | 196 | 0.8740 |
224 | F08 | 0.8740 |
225 | FHI | 0.8740 |
226 | HH6 | 0.8740 |
227 | LJ5 | 0.8739 |
228 | XYP XYP | 0.8733 |
229 | IY5 | 0.8733 |
230 | UV4 | 0.8731 |
231 | HWH | 0.8730 |
232 | E7E | 0.8726 |
233 | 0FZ | 0.8725 |
234 | 4QX | 0.8725 |
235 | 147 | 0.8722 |
236 | F13 | 0.8722 |
237 | 6QT | 0.8719 |
238 | 5E5 | 0.8719 |
239 | 5P3 | 0.8717 |
240 | 2WF | 0.8716 |
241 | 2QV | 0.8716 |
242 | 4RV | 0.8713 |
243 | E6Q | 0.8713 |
244 | 43G | 0.8713 |
245 | 7EH | 0.8710 |
246 | 68C | 0.8710 |
247 | 47V | 0.8708 |
248 | 3Q1 | 0.8707 |
249 | IK1 | 0.8706 |
250 | MHB | 0.8706 |
251 | BK2 | 0.8706 |
252 | 4CN | 0.8705 |
253 | 21E | 0.8703 |
254 | 6FX | 0.8703 |
255 | 0DF | 0.8701 |
256 | SDN | 0.8701 |
257 | FO2 | 0.8689 |
258 | JTF | 0.8686 |
259 | DTQ | 0.8685 |
260 | 5B2 | 0.8685 |
261 | 3G5 | 0.8678 |
262 | YEX | 0.8676 |
263 | TVZ | 0.8673 |
264 | E92 | 0.8672 |
265 | 36I | 0.8671 |
266 | 62D | 0.8670 |
267 | STL | 0.8668 |
268 | XAV | 0.8666 |
269 | DXK | 0.8666 |
270 | INR | 0.8665 |
271 | LMZ | 0.8663 |
272 | J2W | 0.8660 |
273 | J2Q | 0.8659 |
274 | 7M2 | 0.8658 |
275 | YJX | 0.8657 |
276 | OA4 | 0.8653 |
277 | 31F | 0.8652 |
278 | KOM | 0.8652 |
279 | 16L | 0.8651 |
280 | 4B8 | 0.8649 |
281 | 5YA | 0.8642 |
282 | XYS AZI XYS | 0.8641 |
283 | 108 | 0.8641 |
284 | AIQ | 0.8639 |
285 | WG8 | 0.8639 |
286 | PIT | 0.8637 |
287 | FDZ | 0.8635 |
288 | IZ9 | 0.8635 |
289 | FSU | 0.8634 |
290 | 4AJ | 0.8631 |
291 | X0T | 0.8629 |
292 | A3V | 0.8627 |
293 | 785 | 0.8627 |
294 | PIQ | 0.8624 |
295 | NZ4 | 0.8617 |
296 | EES | 0.8616 |
297 | 5XM | 0.8615 |
298 | LJ2 | 0.8614 |
299 | GUS | 0.8613 |
300 | 5EZ | 0.8612 |
301 | 4YE | 0.8606 |
302 | 2QU | 0.8603 |
303 | HRD | 0.8602 |
304 | ZRK | 0.8602 |
305 | YK9 | 0.8601 |
306 | CFK | 0.8600 |
307 | 9JT | 0.8598 |
308 | W2E | 0.8597 |
309 | IYX | 0.8597 |
310 | KSF | 0.8592 |
311 | ZAR | 0.8588 |
312 | TQ1 | 0.8585 |
313 | T21 | 0.8583 |
314 | WST | 0.8580 |
315 | RF2 | 0.8579 |
316 | 47X | 0.8578 |
317 | DZ2 | 0.8574 |
318 | 7M5 | 0.8573 |
319 | L6Y | 0.8572 |
320 | 4ZF | 0.8570 |
321 | 0OP | 0.8569 |
322 | Q5M | 0.8567 |
323 | R4E | 0.8564 |
324 | 4YC | 0.8560 |
325 | 0RA | 0.8559 |
326 | L2K | 0.8554 |
327 | L43 | 0.8550 |
328 | IRG | 0.8546 |
329 | GRK | 0.8544 |
330 | 2GQ | 0.8542 |
331 | 136 | 0.8538 |
332 | B5T | 0.8534 |
333 | 53X | 0.8533 |
334 | 3XM | 0.8532 |
335 | FNT | 0.8529 |
336 | U4J | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 3d04.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3d04.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |