- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 | 5A5R | ic50 = 1.3 uM | NP8 | C20 H23 N5 O2 | CC1=Cc2c(c.... |
2 | 5A82 | ic50 = 2.51 uM | YEJ | C20 H28 N4 O4 S | CC1=Cc2ccn.... |
3 | 5A5Q | Kd = 21 uM | 6XC | C14 H18 N4 O | CC1=Cc2ccn.... |
4 | 6S55 | - | KW5 | C17 H21 Br N4 O5 S | C[C@H]1CCC.... |
5 | 5A81 | Kd = 2.9 uM | 78J | C21 H30 N4 O2 | CC1=Cc2ccn.... |
6 | 5A5P | ic50 = 0.1 mM | JTF | C14 H19 N3 O | CC1=Cc2ccc.... |
7 | 4TU4 | Kd = 175 uM | 37N | C18 H16 N2 O5 S | Cc1c(c(on1.... |
8 | 4TZ8 | Kd = 500 uM | 39U | C9 H13 N3 O S | CC1(Cc2c(s.... |
9 | 5A5O | - | J5I | C10 H9 N O | CC1=Cc2ccc.... |
10 | 6HDN | ic50 = 3.16 uM | FZB | C17 H22 N4 O | CC1=Cc2ccn.... |
11 | 6S57 | - | KVT | C20 H28 N4 O5 S | Cc1ccc(cc1.... |
12 | 5A5N | - | 8WS | C11 H21 N3 O3 | CC(=O)NCCC.... |
13 | 4TTE | Kd = 202 uM | 36Z | C13 H14 N2 O3 | Cc1c(c(on1.... |
14 | 4TYL | Kd = 600 uM | 39O | C10 H13 N3 O | Cc1cc2c(cc.... |
15 | 4TZ2 | Kd = 350 uM | 39R | C14 H12 N4 | c1ccc(cc1).... |
16 | 5A83 | ic50 = 0.158 uM | YD3 | C27 H34 N4 O4 S | Cc1cc(cnc1.... |
17 | 5LJ0 | ic50 = 0.00000001 M | 6XX | C28 H35 F2 N5 O3 | Cc1cc(cnc1.... |
18 | 6S56 | - | KVZ | C22 H23 Cl N4 O5 S | CN(C)S(=O).... |
19 | 6VEO | - | YD4 | C26 H33 N5 O4 S | Cc1cc(cnc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5A5R | ic50 = 1.3 uM | NP8 | C20 H23 N5 O2 | CC1=Cc2c(c.... |
2 | 5A82 | ic50 = 2.51 uM | YEJ | C20 H28 N4 O4 S | CC1=Cc2ccn.... |
3 | 5A5Q | Kd = 21 uM | 6XC | C14 H18 N4 O | CC1=Cc2ccn.... |
4 | 6S55 | - | KW5 | C17 H21 Br N4 O5 S | C[C@H]1CCC.... |
5 | 5A81 | Kd = 2.9 uM | 78J | C21 H30 N4 O2 | CC1=Cc2ccn.... |
6 | 5A5P | ic50 = 0.1 mM | JTF | C14 H19 N3 O | CC1=Cc2ccc.... |
7 | 4TU4 | Kd = 175 uM | 37N | C18 H16 N2 O5 S | Cc1c(c(on1.... |
8 | 4TZ8 | Kd = 500 uM | 39U | C9 H13 N3 O S | CC1(Cc2c(s.... |
9 | 5A5O | - | J5I | C10 H9 N O | CC1=Cc2ccc.... |
10 | 6HDN | ic50 = 3.16 uM | FZB | C17 H22 N4 O | CC1=Cc2ccn.... |
11 | 6S57 | - | KVT | C20 H28 N4 O5 S | Cc1ccc(cc1.... |
12 | 5A5N | - | 8WS | C11 H21 N3 O3 | CC(=O)NCCC.... |
13 | 4TTE | Kd = 202 uM | 36Z | C13 H14 N2 O3 | Cc1c(c(on1.... |
14 | 4TYL | Kd = 600 uM | 39O | C10 H13 N3 O | Cc1cc2c(cc.... |
15 | 4TZ2 | Kd = 350 uM | 39R | C14 H12 N4 | c1ccc(cc1).... |
16 | 5A83 | ic50 = 0.158 uM | YD3 | C27 H34 N4 O4 S | Cc1cc(cnc1.... |
17 | 5LJ0 | ic50 = 0.00000001 M | 6XX | C28 H35 F2 N5 O3 | Cc1cc(cnc1.... |
18 | 6S56 | - | KVZ | C22 H23 Cl N4 O5 S | CN(C)S(=O).... |
19 | 6VEO | - | YD4 | C26 H33 N5 O4 S | Cc1cc(cnc1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | D26 | 0.9588 |
2 | 245 | 0.9520 |
3 | 4B8 | 0.9512 |
4 | D25 | 0.9512 |
5 | LIG | 0.9466 |
6 | MKN | 0.9460 |
7 | 246 | 0.9435 |
8 | 0MB | 0.9415 |
9 | BSU | 0.9411 |
10 | 2OX | 0.9398 |
11 | S45 | 0.9395 |
12 | ZTW | 0.9340 |
13 | 68C | 0.9308 |
14 | 4AJ | 0.9305 |
15 | SNJ | 0.9301 |
16 | 801 | 0.9288 |
17 | 124 | 0.9283 |
18 | 121 | 0.9269 |
19 | G2V | 0.9257 |
20 | 7EH | 0.9245 |
21 | 3MI | 0.9231 |
22 | WA1 | 0.9229 |
23 | L02 | 0.9223 |
24 | M4N | 0.9205 |
25 | 122 | 0.9191 |
26 | AD6 | 0.9191 |
27 | HWB | 0.9177 |
28 | 7G2 | 0.9167 |
29 | 4VC | 0.9164 |
30 | C0V | 0.9160 |
31 | SJR | 0.9159 |
32 | FYO | 0.9155 |
33 | WG8 | 0.9153 |
34 | E98 | 0.9140 |
35 | CR4 | 0.9137 |
36 | FHV | 0.9130 |
37 | 2QU | 0.9128 |
38 | JCQ | 0.9127 |
39 | 6QT | 0.9125 |
40 | KWV | 0.9121 |
41 | E92 | 0.9121 |
42 | 4CN | 0.9118 |
43 | 0UL | 0.9118 |
44 | Q92 | 0.9117 |
45 | BMZ | 0.9116 |
46 | JVB | 0.9112 |
47 | PIQ | 0.9112 |
48 | AV7 | 0.9109 |
49 | 83D | 0.9104 |
50 | AP6 | 0.9100 |
51 | 0U7 | 0.9094 |
52 | 1R5 | 0.9088 |
53 | BP5 | 0.9083 |
54 | 120 | 0.9081 |
55 | OUA | 0.9080 |
56 | 397 | 0.9076 |
57 | 23M | 0.9071 |
58 | 47V | 0.9068 |
59 | 97K | 0.9067 |
60 | C0E | 0.9063 |
61 | 20N | 0.9057 |
62 | 47X | 0.9054 |
63 | J84 | 0.9049 |
64 | YE6 | 0.9048 |
65 | 5TO | 0.9047 |
66 | D64 | 0.9047 |
67 | NIF | 0.9046 |
68 | II4 | 0.9044 |
69 | 4YE | 0.9042 |
70 | 0NJ | 0.9039 |
71 | DZ3 | 0.9039 |
72 | DX2 | 0.9034 |
73 | K0G | 0.9032 |
74 | QUE | 0.9032 |
75 | 40N | 0.9031 |
76 | EES | 0.9028 |
77 | 2P3 | 0.9028 |
78 | 135 | 0.9025 |
79 | 4KN | 0.9023 |
80 | 802 | 0.9023 |
81 | Q8G | 0.9022 |
82 | HDI | 0.9020 |
83 | LU2 | 0.9020 |
84 | 6XR | 0.9019 |
85 | 6C8 | 0.9016 |
86 | ZUF | 0.9016 |
87 | 5OR | 0.9014 |
88 | LJ5 | 0.9013 |
89 | 6FG | 0.9011 |
90 | 3WL | 0.9010 |
91 | HPX | 0.9009 |
92 | 1HP | 0.9009 |
93 | 8CC | 0.9004 |
94 | Z3R | 0.9001 |
95 | 3K1 | 0.9001 |
96 | 4AU | 0.8995 |
97 | LZ4 | 0.8994 |
98 | 4P9 | 0.8989 |
99 | IPJ | 0.8987 |
100 | 7FZ | 0.8984 |
101 | X2M | 0.8981 |
102 | OUG | 0.8980 |
103 | K4T | 0.8979 |
104 | IDZ | 0.8979 |
105 | 0DF | 0.8977 |
106 | TVC | 0.8977 |
107 | 5EZ | 0.8976 |
108 | 1XS | 0.8975 |
109 | WDW | 0.8975 |
110 | 9YD | 0.8975 |
111 | 1V3 | 0.8973 |
112 | RSV | 0.8970 |
113 | 5XM | 0.8970 |
114 | AO | 0.8969 |
115 | A6W | 0.8967 |
116 | JXA | 0.8966 |
117 | RKY | 0.8961 |
118 | LC1 | 0.8958 |
119 | 205 | 0.8956 |
120 | KVW | 0.8953 |
121 | 5VU | 0.8951 |
122 | CT0 | 0.8950 |
123 | 1V4 | 0.8946 |
124 | 22M | 0.8943 |
125 | U55 | 0.8942 |
126 | GEN | 0.8940 |
127 | T21 | 0.8940 |
128 | KMP | 0.8940 |
129 | E6Q | 0.8939 |
130 | P4T | 0.8939 |
131 | HCC | 0.8939 |
132 | U14 | 0.8938 |
133 | E8Z | 0.8934 |
134 | GJG | 0.8933 |
135 | HPZ | 0.8930 |
136 | 90G | 0.8926 |
137 | 7KE | 0.8925 |
138 | 79X | 0.8924 |
139 | 9EG | 0.8923 |
140 | NAR | 0.8921 |
141 | F5N | 0.8911 |
142 | MR4 | 0.8910 |
143 | 1V8 | 0.8909 |
144 | TEF | 0.8909 |
145 | FX5 | 0.8908 |
146 | REG | 0.8906 |
147 | 6BK | 0.8906 |
148 | 6H2 | 0.8905 |
149 | NK5 | 0.8904 |
150 | RDV | 0.8904 |
151 | P7V | 0.8901 |
152 | 6FX | 0.8898 |
153 | KUQ | 0.8897 |
154 | 6MY | 0.8897 |
155 | BXS | 0.8894 |
156 | 0ON | 0.8894 |
157 | U12 | 0.8893 |
158 | C1E | 0.8891 |
159 | 73E | 0.8890 |
160 | NVS | 0.8889 |
161 | 4UM | 0.8884 |
162 | AGI | 0.8881 |
163 | 521 | 0.8880 |
164 | FSE | 0.8878 |
165 | S0B | 0.8878 |
166 | B1N | 0.8878 |
167 | 100 | 0.8877 |
168 | Q7U | 0.8877 |
169 | KVN | 0.8874 |
170 | 9JT | 0.8873 |
171 | KOT | 0.8873 |
172 | 68B | 0.8873 |
173 | KS2 | 0.8872 |
174 | 334 | 0.8868 |
175 | 5ZM | 0.8866 |
176 | 4UE | 0.8866 |
177 | PIT | 0.8866 |
178 | CMZ | 0.8865 |
179 | JV5 | 0.8864 |
180 | 8XY | 0.8863 |
181 | CIU | 0.8863 |
182 | S0J | 0.8863 |
183 | A9B | 0.8862 |
184 | 338 | 0.8860 |
185 | KXN | 0.8857 |
186 | ESJ | 0.8857 |
187 | YZ9 | 0.8857 |
188 | 4BE | 0.8854 |
189 | KWD | 0.8853 |
190 | 6DQ | 0.8849 |
191 | 0UA | 0.8849 |
192 | Y27 | 0.8849 |
193 | FTK | 0.8845 |
194 | 5TT | 0.8844 |
195 | RGK | 0.8844 |
196 | 907 | 0.8843 |
197 | JON | 0.8841 |
198 | 1Q2 | 0.8840 |
199 | OLU | 0.8837 |
200 | B1W | 0.8833 |
201 | 658 | 0.8830 |
202 | AJ6 | 0.8830 |
203 | 3XL | 0.8828 |
204 | MR5 | 0.8828 |
205 | N9M | 0.8827 |
206 | C4E | 0.8826 |
207 | N5B | 0.8825 |
208 | A8D | 0.8825 |
209 | H50 | 0.8824 |
210 | 5C1 | 0.8824 |
211 | BBP | 0.8824 |
212 | 2GE | 0.8817 |
213 | 123 | 0.8812 |
214 | A05 | 0.8811 |
215 | EEY | 0.8810 |
216 | 1OT | 0.8809 |
217 | 4YF | 0.8808 |
218 | JMG | 0.8806 |
219 | YE7 | 0.8804 |
220 | S8P | 0.8804 |
221 | D9Q | 0.8804 |
222 | 0DJ | 0.8796 |
223 | STL | 0.8794 |
224 | 35K | 0.8793 |
225 | A9E | 0.8793 |
226 | S16 | 0.8792 |
227 | BUN | 0.8788 |
228 | OSY | 0.8786 |
229 | HPK | 0.8780 |
230 | 0QA | 0.8772 |
231 | S1C | 0.8770 |
232 | 3DE | 0.8769 |
233 | BX4 | 0.8763 |
234 | 2L1 | 0.8759 |
235 | 22T | 0.8759 |
236 | GHQ | 0.8754 |
237 | 1Q1 | 0.8750 |
238 | HHB | 0.8750 |
239 | JTK | 0.8749 |
240 | 789 | 0.8749 |
241 | 20P | 0.8749 |
242 | 4HG | 0.8748 |
243 | F41 | 0.8745 |
244 | 08C | 0.8743 |
245 | L2K | 0.8742 |
246 | J2W | 0.8738 |
247 | MI2 | 0.8737 |
248 | 1V0 | 0.8735 |
249 | DH2 | 0.8735 |
250 | KLE | 0.8733 |
251 | KU1 | 0.8731 |
252 | 1UR | 0.8726 |
253 | 20D | 0.8726 |
254 | MYU | 0.8725 |
255 | VGV | 0.8723 |
256 | E42 | 0.8722 |
257 | EI1 | 0.8718 |
258 | 7G0 | 0.8718 |
259 | 0UC | 0.8717 |
260 | AJ1 | 0.8716 |
261 | 43G | 0.8708 |
262 | O9T | 0.8706 |
263 | 041 | 0.8705 |
264 | TFQ | 0.8701 |
265 | MQR | 0.8699 |
266 | IW4 | 0.8698 |
267 | HUL | 0.8694 |
268 | 3BE | 0.8690 |
269 | 738 | 0.8686 |
270 | 1FE | 0.8685 |
271 | J2N | 0.8685 |
272 | 2QV | 0.8678 |
273 | S0A | 0.8676 |
274 | BDE | 0.8671 |
275 | J3B | 0.8670 |
276 | AU6 | 0.8669 |
277 | 5WK | 0.8667 |
278 | MT6 | 0.8666 |
279 | GA6 | 0.8666 |
280 | 0LA | 0.8665 |
281 | 90M | 0.8663 |
282 | 68Q | 0.8661 |
283 | PQM | 0.8661 |
284 | A63 | 0.8659 |
285 | IW3 | 0.8657 |
286 | 8E3 | 0.8654 |
287 | 1UT | 0.8653 |
288 | CX5 | 0.8647 |
289 | T5J | 0.8644 |
290 | 0XR | 0.8643 |
291 | 3F4 | 0.8640 |
292 | 5DE | 0.8632 |
293 | LJ2 | 0.8625 |
294 | OAQ | 0.8625 |
295 | HMO | 0.8618 |
296 | NDD | 0.8615 |
297 | IW5 | 0.8613 |
298 | 8M5 | 0.8612 |
299 | SZ5 | 0.8612 |
300 | 1PB | 0.8606 |
301 | AT2 | 0.8598 |
302 | A26 | 0.8594 |
303 | 72H | 0.8593 |
304 | 5WW | 0.8593 |
305 | K3T | 0.8590 |
306 | 5R9 | 0.8585 |
307 | 2BE | 0.8580 |
308 | 4TX | 0.8578 |
309 | 5TU | 0.8577 |
310 | 1DR | 0.8574 |
311 | 2L7 | 0.8570 |
312 | EAA | 0.8569 |
313 | AX1 | 0.8568 |
314 | TPM | 0.8560 |
315 | FNT | 0.8551 |
316 | O9Z | 0.8543 |
317 | 5SJ | 0.8541 |
318 | 7LU | 0.8539 |
319 | NNF | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 6hdn.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4XUB | 43D | 27.3504 |
2 | 6HAZ | FX5 | 27.6423 |
3 | 6HAZ | FX5 | 27.6423 |
4 | 6DF7 | G9V | 30.7692 |
5 | 6DF7 | G9V | 30.7692 |
6 | 6J3O | B4L | 30.7692 |
7 | 6J3P | B8O | 39.2308 |
8 | 6J3P | B8O | 39.2308 |
9 | 5MG2 | 7M8 | 40 |
10 | 5IGL | BMF | 46.9231 |
11 | 5MLJ | 9ST | 50 |