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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 5 families. | |||||
1 | 5OQW | ic50 < 40 nM | A4E | C30 H43 F N5 O3 | C[C@@H]1CN.... |
2 | 6H6R | - | FUE | C32 H36 F N5 O2 | C[C@@H]1CN.... |
3 | 5M6E | - | 7HT | C28 H37 N6 O | Cc1cnn(c1).... |
4 | 5M6F | ic50 = 220 nM | 7HU | C25 H35 N4 O2 | C[C@@H]1CN.... |
5 | 5M6M | ic50 = 44 nM | 7H8 | C28 H38 N5 O2 | C[C@@H]1CN.... |
6 | 5M6H | ic50 = 150 nM | 7J6 | C28 H38 N5 O3 | C[C@@H]1CN.... |
7 | 3HL5 | - | 9JZ | C28 H38 N6 O3 | C[C@H]1CCN.... |
8 | 2VSL | Ki = 4 nM | MAA LYS PRO PHE | n/a | n/a |
9 | 1XB0 | - | ALA VAL PRO ILE ALA GLN LYS | n/a | n/a |
10 | 3CM2 | Ki = 340 nM | X23 | C28 H37 N5 O3 | CC[C@@H](C.... |
11 | 5C7A | - | 4YE | C15 H22 N3 O | C[C@@H]1CN.... |
12 | 5C3K | ic50 = 110 uM | 4XF | C8 H13 N4 O | C[C@@H](C(.... |
13 | 5C7D | ic50 = 7.7 uM | 4YF | C14 H20 Cl N4 O | C[C@@H]1CN.... |
14 | 5C83 | ic50 = 0.16 uM | 4YN | C25 H35 N4 O2 | C[C@@H]1CN.... |
15 | 5C84 | ic50 = 0.64 uM | 4YL | C18 H28 Cl N4 O2 | C[C@@H]1CN.... |
16 | 5C0K | ic50 = 1200 uM | 4WK | C8 H18 N3 O2 | C[C@@H](C(.... |
17 | 5C7C | ic50 = 5.5 uM | 4YC | C17 H25 Cl N3 O | C[C@@H]1CN.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 4KJU | ic50 = 0.006 uM | 1RH | C32 H33 N5 O4 | C[C@@H](C(.... |
2 | 4KJV | ic50 = 0.018 uM | 1RK | C30 H33 N3 O7 | C[C@@H](C(.... |
3 | 4J48 | Ki = 2.41 uM | ALA MET ARG VAL | n/a | n/a |
4 | 4J45 | Ki = 1.7 uM | ALA THR ALA ALA | n/a | n/a |
5 | 4J46 | Ki = 5.24 uM | ALA VAL PRO ILE | n/a | n/a |
6 | 4J47 | Ki = 12.02 uM | SER VAL PRO ILE | n/a | n/a |
7 | 4J44 | Ki = 1.87 uM | ALA ILE ALA VAL | n/a | n/a |
8 | 4HY5 | ic50 = 1.3 nM | 1AQ | C31 H45 F2 N5 O5 | CCO[C@@H]1.... |
9 | 4MTI | ic50 = 1.2 nM | 2DX | C30 H45 N5 O4 | CC[C@@H](C.... |
10 | 4LGU | ic50 = 2.1 nM | 1YH | C29 H43 N5 O4 | C[C@@H](C(.... |
11 | 3F7G | - | 389 | C27 H36 N4 O3 | C[C@@H](C(.... |
12 | 3D9T | Kd = 48 nM | ALA THR PRO PHE GLN GLU | n/a | n/a |
13 | 5M6N | - | 7H9 | C29 H41 F N5 O2 | C[C@@H]1CN.... |
14 | 5M6E | - | 7HT | C28 H37 N6 O | Cc1cnn(c1).... |
15 | 5M6F | ic50 = 220 nM | 7HU | C25 H35 N4 O2 | C[C@@H]1CN.... |
16 | 5M6M | ic50 = 44 nM | 7H8 | C28 H38 N5 O2 | C[C@@H]1CN.... |
17 | 5M6H | ic50 = 150 nM | 7J6 | C28 H38 N5 O3 | C[C@@H]1CN.... |
18 | 3HL5 | - | 9JZ | C28 H38 N6 O3 | C[C@H]1CCN.... |
19 | 2VSL | Ki = 4 nM | MAA LYS PRO PHE | n/a | n/a |
20 | 3GTA | - | 851 | C29 H36 N4 O2 S | C[C@@H](C(.... |
21 | 3GT9 | - | 516 | C29 H36 N4 O2 S | C[C@@H](C(.... |
22 | 2I3I | Ki = 0.05 uM | 618 | C25 H32 N6 O3 S | Cc1cc(n(n1.... |
23 | 3F7I | - | G13 | C28 H38 N4 O3 | C[C@@H](C(.... |
24 | 1XB0 | - | ALA VAL PRO ILE ALA GLN LYS | n/a | n/a |
25 | 3CM2 | Ki = 340 nM | X23 | C28 H37 N5 O3 | CC[C@@H](C.... |
26 | 4WVU | ic50 = 1.97 uM | MAA VAL 3V8 PHE HOX | n/a | n/a |
27 | 4WVT | ic50 = 4.87 uM | MAA PHE PRO PHE PHE 3V7 | n/a | n/a |
28 | 4WVS | ic50 = 0.54 uM | MAA LPH PRO PHE 4LZ | n/a | n/a |
29 | 5C7A | - | 4YE | C15 H22 N3 O | C[C@@H]1CN.... |
30 | 5C3K | ic50 = 110 uM | 4XF | C8 H13 N4 O | C[C@@H](C(.... |
31 | 5C7D | ic50 = 7.7 uM | 4YF | C14 H20 Cl N4 O | C[C@@H]1CN.... |
32 | 5C83 | ic50 = 0.16 uM | 4YN | C25 H35 N4 O2 | C[C@@H]1CN.... |
33 | 5C84 | ic50 = 0.64 uM | 4YL | C18 H28 Cl N4 O2 | C[C@@H]1CN.... |
34 | 5C0K | ic50 = 1200 uM | 4WK | C8 H18 N3 O2 | C[C@@H](C(.... |
35 | 5C7C | ic50 = 5.5 uM | 4YC | C17 H25 Cl N3 O | C[C@@H]1CN.... |
36 | 3UW4 | Ki = 0.017 uM | MAA CHG PRO 0DQ | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | QS4 | 0.9429 |
2 | 6IP | 0.9419 |
3 | EMU | 0.9391 |
4 | D5F | 0.9333 |
5 | 6BK | 0.9271 |
6 | 5XM | 0.9239 |
7 | ZEA | 0.9236 |
8 | L12 | 0.9210 |
9 | KTV | 0.9203 |
10 | 8M5 | 0.9181 |
11 | D59 | 0.9169 |
12 | 47X | 0.9164 |
13 | LI4 | 0.9157 |
14 | OUA | 0.9155 |
15 | ZW2 | 0.9152 |
16 | H0V | 0.9149 |
17 | SIJ | 0.9148 |
18 | D8B | 0.9130 |
19 | D64 | 0.9122 |
20 | DX6 | 0.9116 |
21 | LU2 | 0.9116 |
22 | AEY | 0.9112 |
23 | WA2 | 0.9112 |
24 | LFK | 0.9101 |
25 | C0V | 0.9101 |
26 | CIU | 0.9100 |
27 | 97K | 0.9095 |
28 | 1V8 | 0.9087 |
29 | B5A | 0.9085 |
30 | 9ME | 0.9080 |
31 | 5R9 | 0.9077 |
32 | TYP | 0.9077 |
33 | VXP | 0.9074 |
34 | VXM | 0.9073 |
35 | M77 | 0.9072 |
36 | 12R | 0.9070 |
37 | SCE | 0.9069 |
38 | E92 | 0.9069 |
39 | OUG | 0.9068 |
40 | 22M | 0.9067 |
41 | MW5 | 0.9063 |
42 | 41L | 0.9061 |
43 | 15I | 0.9050 |
44 | 39R | 0.9042 |
45 | 7EH | 0.9041 |
46 | IW4 | 0.9038 |
47 | M62 | 0.9033 |
48 | F91 | 0.9033 |
49 | KVD | 0.9029 |
50 | 4ZW | 0.9025 |
51 | FY8 | 0.9021 |
52 | 0NJ | 0.9021 |
53 | IXG | 0.9012 |
54 | 5V3 | 0.9009 |
55 | 9RK | 0.9004 |
56 | IPL | 0.9002 |
57 | E98 | 0.8999 |
58 | LJ2 | 0.8998 |
59 | 4P9 | 0.8992 |
60 | 6QT | 0.8992 |
61 | E6Q | 0.8990 |
62 | 2OX | 0.8988 |
63 | CMP | 0.8986 |
64 | G2V | 0.8983 |
65 | A63 | 0.8982 |
66 | YE7 | 0.8982 |
67 | SNJ | 0.8975 |
68 | JE7 | 0.8972 |
69 | H35 | 0.8971 |
70 | WG8 | 0.8962 |
71 | M5A | 0.8960 |
72 | 2L2 | 0.8959 |
73 | DFL | 0.8959 |
74 | 0OP | 0.8958 |
75 | BZM | 0.8958 |
76 | 91F | 0.8955 |
77 | ESJ | 0.8955 |
78 | F41 | 0.8953 |
79 | DZ2 | 0.8953 |
80 | 2JP | 0.8952 |
81 | 4K2 | 0.8951 |
82 | 3JC | 0.8949 |
83 | RE4 | 0.8946 |
84 | 9JH | 0.8944 |
85 | 20D | 0.8941 |
86 | JVD | 0.8940 |
87 | HCC | 0.8940 |
88 | DE7 | 0.8939 |
89 | 4KN | 0.8938 |
90 | KTM | 0.8931 |
91 | EEY | 0.8931 |
92 | 1V1 | 0.8930 |
93 | G30 | 0.8930 |
94 | LJ1 | 0.8929 |
95 | JCQ | 0.8927 |
96 | 801 | 0.8926 |
97 | TCT | 0.8925 |
98 | T5J | 0.8925 |
99 | N5B | 0.8923 |
100 | AJ4 | 0.8921 |
101 | 08C | 0.8920 |
102 | CWP | 0.8918 |
103 | 8KW | 0.8917 |
104 | 00G | 0.8917 |
105 | 0MB | 0.8916 |
106 | RGK | 0.8915 |
107 | CMG | 0.8914 |
108 | U14 | 0.8912 |
109 | LZ4 | 0.8910 |
110 | 4L2 | 0.8909 |
111 | HPX | 0.8898 |
112 | 120 | 0.8897 |
113 | A0R | 0.8896 |
114 | 7ZO | 0.8895 |
115 | 83D | 0.8894 |
116 | 6FX | 0.8894 |
117 | Q5M | 0.8893 |
118 | 7LU | 0.8891 |
119 | PV2 | 0.8889 |
120 | 4VC | 0.8887 |
121 | 6H2 | 0.8885 |
122 | ZIP | 0.8885 |
123 | STL | 0.8882 |
124 | AGI | 0.8880 |
125 | 1Q4 | 0.8879 |
126 | 4CN | 0.8876 |
127 | FCW | 0.8875 |
128 | 3WL | 0.8874 |
129 | NAR | 0.8873 |
130 | BMZ | 0.8871 |
131 | 1V3 | 0.8870 |
132 | M3W | 0.8869 |
133 | V15 | 0.8869 |
134 | IDZ | 0.8868 |
135 | 4RG | 0.8868 |
136 | 0QV | 0.8868 |
137 | 122 | 0.8867 |
138 | MQR | 0.8867 |
139 | 25F | 0.8865 |
140 | PFT | 0.8864 |
141 | SZ5 | 0.8863 |
142 | B4L | 0.8862 |
143 | TKT | 0.8862 |
144 | GVI | 0.8860 |
145 | O9Q | 0.8859 |
146 | 5WK | 0.8858 |
147 | IPJ | 0.8858 |
148 | ZEZ | 0.8857 |
149 | C4F | 0.8857 |
150 | GJW | 0.8857 |
151 | T21 | 0.8856 |
152 | UV4 | 0.8852 |
153 | 4ZF | 0.8851 |
154 | 5YA | 0.8851 |
155 | RE2 | 0.8850 |
156 | PE2 | 0.8849 |
157 | BC3 | 0.8847 |
158 | QUE | 0.8845 |
159 | AP6 | 0.8842 |
160 | 7WD | 0.8841 |
161 | 124 | 0.8841 |
162 | YIP | 0.8840 |
163 | 0LA | 0.8840 |
164 | 6DQ | 0.8837 |
165 | 2L1 | 0.8837 |
166 | YE6 | 0.8837 |
167 | ADN | 0.8836 |
168 | LJ5 | 0.8834 |
169 | 0OM | 0.8833 |
170 | NXY | 0.8832 |
171 | J8D | 0.8831 |
172 | 0QX | 0.8830 |
173 | FTK | 0.8826 |
174 | NXB | 0.8824 |
175 | RKY | 0.8822 |
176 | MI2 | 0.8822 |
177 | CR4 | 0.8820 |
178 | CWE | 0.8820 |
179 | IEE | 0.8819 |
180 | 0OK | 0.8817 |
181 | XYP XYP | 0.8817 |
182 | JBB | 0.8817 |
183 | 2QU | 0.8816 |
184 | OA4 | 0.8815 |
185 | 15Q | 0.8815 |
186 | U12 | 0.8814 |
187 | BXS | 0.8812 |
188 | HFS | 0.8812 |
189 | QTJ | 0.8809 |
190 | 5HG | 0.8809 |
191 | A8D | 0.8809 |
192 | IGP | 0.8808 |
193 | 6XC | 0.8806 |
194 | 35K | 0.8805 |
195 | EXG | 0.8805 |
196 | L3L | 0.8804 |
197 | RNK | 0.8804 |
198 | AX5 | 0.8804 |
199 | P4T | 0.8803 |
200 | 5AV | 0.8802 |
201 | E9L | 0.8798 |
202 | 121 | 0.8797 |
203 | A73 | 0.8797 |
204 | AJ6 | 0.8795 |
205 | HHV | 0.8794 |
206 | 5P7 | 0.8791 |
207 | MT6 | 0.8789 |
208 | WLH | 0.8788 |
209 | 8MF | 0.8787 |
210 | PV0 | 0.8785 |
211 | 3F4 | 0.8785 |
212 | KXN | 0.8779 |
213 | XYP XIM | 0.8777 |
214 | VT3 | 0.8776 |
215 | NAL | 0.8774 |
216 | MYC | 0.8774 |
217 | NU3 | 0.8773 |
218 | 3QI | 0.8773 |
219 | FIP | 0.8773 |
220 | DFV | 0.8773 |
221 | F40 | 0.8772 |
222 | CHJ | 0.8772 |
223 | EXP | 0.8771 |
224 | 4JV | 0.8770 |
225 | PMM | 0.8769 |
226 | PZX | 0.8769 |
227 | OAG | 0.8767 |
228 | NKI | 0.8766 |
229 | S45 | 0.8759 |
230 | WCU | 0.8759 |
231 | VGV | 0.8757 |
232 | RF2 | 0.8757 |
233 | 3TI | 0.8756 |
234 | CWB | 0.8753 |
235 | MJW | 0.8753 |
236 | BUN | 0.8751 |
237 | BVB | 0.8750 |
238 | 25K | 0.8749 |
239 | MGI | 0.8749 |
240 | CDJ | 0.8747 |
241 | 246 | 0.8747 |
242 | 7L4 | 0.8746 |
243 | 338 | 0.8746 |
244 | DIH | 0.8745 |
245 | TRP | 0.8743 |
246 | 23M | 0.8740 |
247 | XYS XYS | 0.8739 |
248 | DH2 | 0.8739 |
249 | UN9 | 0.8739 |
250 | 94M | 0.8739 |
251 | GU7 | 0.8738 |
252 | 40N | 0.8735 |
253 | 1CE | 0.8733 |
254 | OSY | 0.8733 |
255 | GJG | 0.8733 |
256 | 53N | 0.8731 |
257 | MXA | 0.8723 |
258 | NZ4 | 0.8723 |
259 | T07 | 0.8723 |
260 | 0UL | 0.8722 |
261 | K3T | 0.8721 |
262 | D25 | 0.8719 |
263 | FL8 | 0.8718 |
264 | XYP XYS | 0.8718 |
265 | 26A | 0.8718 |
266 | 5PK | 0.8717 |
267 | FHV | 0.8716 |
268 | DZ1 | 0.8716 |
269 | 9MK | 0.8715 |
270 | A45 | 0.8712 |
271 | 1V4 | 0.8710 |
272 | BMC | 0.8709 |
273 | D09 | 0.8708 |
274 | 9M9 | 0.8706 |
275 | U55 | 0.8706 |
276 | QEI | 0.8706 |
277 | DDC | 0.8705 |
278 | 0HV | 0.8702 |
279 | 2JX | 0.8701 |
280 | CHV | 0.8701 |
281 | LC1 | 0.8699 |
282 | 2UV | 0.8698 |
283 | 108 | 0.8694 |
284 | 0RU | 0.8693 |
285 | J2N | 0.8692 |
286 | PV1 | 0.8691 |
287 | FL9 | 0.8690 |
288 | 6JM | 0.8688 |
289 | BGK | 0.8686 |
290 | GQZ | 0.8684 |
291 | XYS AZI XYS | 0.8679 |
292 | NEU | 0.8679 |
293 | JFS | 0.8678 |
294 | 833 | 0.8676 |
295 | 6JO | 0.8676 |
296 | DQH | 0.8674 |
297 | NQK | 0.8672 |
298 | 3D1 | 0.8668 |
299 | CT0 | 0.8665 |
300 | FSE | 0.8663 |
301 | PHQ DTH | 0.8662 |
302 | LIT | 0.8661 |
303 | EBB | 0.8659 |
304 | 11X | 0.8659 |
305 | 0QA | 0.8658 |
306 | UN4 | 0.8655 |
307 | 5V0 | 0.8652 |
308 | A4V | 0.8652 |
309 | EYY | 0.8652 |
310 | JPB | 0.8649 |
311 | 5M2 | 0.8648 |
312 | 5NN | 0.8641 |
313 | JF5 | 0.8641 |
314 | KUP | 0.8639 |
315 | NPZ | 0.8636 |
316 | AT2 | 0.8636 |
317 | AVX | 0.8636 |
318 | DZ3 | 0.8635 |
319 | O9Z | 0.8635 |
320 | U13 | 0.8632 |
321 | XYP XDN | 0.8631 |
322 | LOX XYP | 0.8629 |
323 | A11 | 0.8625 |
324 | PU2 | 0.8624 |
325 | O9T | 0.8621 |
326 | NOC | 0.8621 |
327 | JON | 0.8619 |
328 | F18 | 0.8618 |
329 | 0XR | 0.8617 |
330 | BFS | 0.8611 |
331 | 0SY | 0.8608 |
332 | XDN XYP | 0.8607 |
333 | SAK | 0.8606 |
334 | 92O | 0.8604 |
335 | HMX | 0.8604 |
336 | CMZ | 0.8602 |
337 | LRT | 0.8598 |
338 | QRP | 0.8595 |
339 | H52 | 0.8595 |
340 | RCM | 0.8594 |
341 | XDL XYP | 0.8594 |
342 | XIF XYP | 0.8593 |
343 | STV | 0.8593 |
344 | O2Q | 0.8592 |
345 | G50 | 0.8592 |
346 | TPM | 0.8591 |
347 | 521 | 0.8590 |
348 | 9W7 | 0.8585 |
349 | 6JP | 0.8584 |
350 | 109 | 0.8584 |
351 | F5N | 0.8583 |
352 | 3GX | 0.8581 |
353 | NPS | 0.8578 |
354 | 5C1 | 0.8577 |
355 | 6B5 | 0.8575 |
356 | 51P | 0.8573 |
357 | CUH | 0.8573 |
358 | NRG | 0.8572 |
359 | 5NR | 0.8570 |
360 | 9CE | 0.8569 |
361 | 6MD | 0.8569 |
362 | TQT | 0.8556 |
363 | KU1 | 0.8548 |
364 | 5MX | 0.8545 |
365 | Q11 | 0.8542 |
366 | GLC GLA | 0.8540 |
367 | SNP | 0.8539 |
368 | IAG | 0.8527 |
369 | M01 | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 5c83.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |