- 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 2 families. | |||||
1 | 3CPO | - | FP2 | C6 H5 F O | c1ccc(c(c1.... |
2 | 1W6Y | Kd = 4.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
3 | 5AI1 | Kd = 0.34 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
4 | 5G2G | Kd = 0.9 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
5 | 6C17 | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
6 | 1GS3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
7 | 5KP1 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
8 | 1OHO | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
9 | 1CQS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
10 | 3OWY | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
11 | 5KP4 | - | 6VW | C18 H26 O2 | C[C@]12CC[.... |
12 | 3IPT | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
13 | 1OH0 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
14 | 1OGX | Kd = 0.81 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
15 | 1E3V | Kd = 45.74 uM | DXC | C24 H40 O4 | C[C@H](CCC.... |
16 | 6C1J | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
17 | 6UFS | - | Q6J | C18 H28 O2 | C[C@]12CC[.... |
18 | 2PZV | Kd = 135 uM | IPH | C6 H6 O | c1ccc(cc1).... |
19 | 3FZW | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
20 | 6C1X | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
21 | 3T8N | - | EDT | C10 H16 N2 O8 | C(CN(CC(=O.... |
22 | 1E3R | - | AND | C19 H28 O2 | C[C@]12CC[.... |
23 | 2INX | - | FFP | C6 H4 F2 O | c1cc(c(c(c.... |
24 | 3OWU | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
25 | 5KP3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
26 | 3OWS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3CPO | - | FP2 | C6 H5 F O | c1ccc(c(c1.... |
2 | 1W6Y | Kd = 4.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
3 | 5AI1 | Kd = 0.34 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
4 | 5G2G | Kd = 0.9 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
5 | 6C17 | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
6 | 1GS3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
7 | 5KP1 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
8 | 1OHO | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
9 | 1CQS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
10 | 3OWY | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
11 | 5KP4 | - | 6VW | C18 H26 O2 | C[C@]12CC[.... |
12 | 3IPT | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
13 | 1OH0 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
14 | 1OGX | Kd = 0.81 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
15 | 1E3V | Kd = 45.74 uM | DXC | C24 H40 O4 | C[C@H](CCC.... |
16 | 6C1J | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
17 | 6UFS | - | Q6J | C18 H28 O2 | C[C@]12CC[.... |
18 | 2PZV | Kd = 135 uM | IPH | C6 H6 O | c1ccc(cc1).... |
19 | 3FZW | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
20 | 6C1X | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
21 | 3T8N | - | EDT | C10 H16 N2 O8 | C(CN(CC(=O.... |
22 | 1E3R | - | AND | C19 H28 O2 | C[C@]12CC[.... |
23 | 2INX | - | FFP | C6 H4 F2 O | c1cc(c(c(c.... |
24 | 3OWU | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
25 | 5KP3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
26 | 3OWS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
27 | 1OHS | - | 5SD | C19 H28 O2 | C[C@]12CCC.... |
28 | 5UGI | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
29 | 1OHP | - | ESR | C18 H26 O2 | C[C@]12CC[.... |
30 | 1QJG | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
31 | 1OGZ | Kd = 1.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | H4B | 1.0000 |
2 | J3Z | 0.9959 |
3 | EST | 0.9958 |
4 | 6VW | 0.9937 |
5 | ESR | 0.9868 |
6 | ECS | 0.9767 |
7 | ESL | 0.9764 |
8 | ESZ | 0.9740 |
9 | AOM | 0.9661 |
10 | AOI | 0.9652 |
11 | 5SD | 0.9640 |
12 | DHT | 0.9623 |
13 | AOX | 0.9573 |
14 | R18 | 0.9521 |
15 | CUE | 0.9504 |
16 | TES | 0.9480 |
17 | 1DR | 0.9447 |
18 | ESM | 0.9426 |
19 | ASD | 0.9426 |
20 | AND | 0.9379 |
21 | 3WF | 0.9370 |
22 | 18E | 0.9321 |
23 | ANB | 0.9270 |
24 | 17H | 0.9267 |
25 | AON | 0.9261 |
26 | 0NJ | 0.9258 |
27 | 1V4 | 0.9256 |
28 | 9CE | 0.9238 |
29 | 8SK | 0.9233 |
30 | 1V3 | 0.9228 |
31 | L2K | 0.9212 |
32 | 272 | 0.9205 |
33 | 1YL | 0.9199 |
34 | NQ8 | 0.9191 |
35 | 7G0 | 0.9168 |
36 | NRA | 0.9165 |
37 | PIQ | 0.9156 |
38 | 40N | 0.9146 |
39 | RHN | 0.9122 |
40 | NDD | 0.9114 |
41 | 2J1 | 0.9110 |
42 | 0UL | 0.9105 |
43 | 20D | 0.9090 |
44 | 397 | 0.9089 |
45 | IXM | 0.9083 |
46 | IQZ | 0.9081 |
47 | EES | 0.9081 |
48 | LFN | 0.9079 |
49 | Q0K | 0.9078 |
50 | II4 | 0.9076 |
51 | ZSP | 0.9071 |
52 | DX2 | 0.9070 |
53 | CX6 | 0.9068 |
54 | 2QU | 0.9066 |
55 | 801 | 0.9063 |
56 | NEU | 0.9057 |
57 | PRL | 0.9057 |
58 | LIG | 0.9056 |
59 | PLO | 0.9054 |
60 | WV7 | 0.9054 |
61 | JF8 | 0.9051 |
62 | 1V1 | 0.9047 |
63 | STR | 0.9045 |
64 | G2V | 0.9040 |
65 | DFL | 0.9035 |
66 | 0OK | 0.9027 |
67 | A73 | 0.9021 |
68 | M3F | 0.9016 |
69 | 6DQ | 0.9016 |
70 | NDR | 0.9015 |
71 | 5AD | 0.9013 |
72 | 25F | 0.9010 |
73 | 6ZE | 0.9005 |
74 | HRD | 0.9003 |
75 | 39Z | 0.9001 |
76 | 6BK | 0.8999 |
77 | 5XL | 0.8999 |
78 | JRO | 0.8997 |
79 | ADN | 0.8996 |
80 | 7L4 | 0.8992 |
81 | 19E | 0.8991 |
82 | 1V8 | 0.8988 |
83 | 124 | 0.8987 |
84 | OLU | 0.8986 |
85 | 120 | 0.8985 |
86 | YZ9 | 0.8983 |
87 | 4AU | 0.8980 |
88 | 6FB | 0.8975 |
89 | F40 | 0.8973 |
90 | 5VU | 0.8969 |
91 | LUM | 0.8969 |
92 | P4L | 0.8967 |
93 | AQN | 0.8966 |
94 | 5NN | 0.8959 |
95 | VUP | 0.8958 |
96 | NEO | 0.8957 |
97 | GEN | 0.8957 |
98 | E1K | 0.8956 |
99 | 1EL | 0.8954 |
100 | 1XS | 0.8953 |
101 | A05 | 0.8952 |
102 | K7H | 0.8950 |
103 | 0FR | 0.8949 |
104 | RSV | 0.8949 |
105 | IDZ | 0.8948 |
106 | M3W | 0.8947 |
107 | 28A | 0.8944 |
108 | HRM | 0.8943 |
109 | 47X | 0.8942 |
110 | A63 | 0.8941 |
111 | DY9 | 0.8939 |
112 | EMO | 0.8938 |
113 | 5ER | 0.8937 |
114 | 4CN | 0.8936 |
115 | OPA | 0.8934 |
116 | WG8 | 0.8934 |
117 | 1HP | 0.8932 |
118 | 0DF | 0.8931 |
119 | BRY | 0.8931 |
120 | DX7 | 0.8930 |
121 | OTA | 0.8927 |
122 | AP6 | 0.8926 |
123 | 3WL | 0.8925 |
124 | X2M | 0.8924 |
125 | CR4 | 0.8923 |
126 | 3F4 | 0.8922 |
127 | MBT | 0.8920 |
128 | AZN | 0.8920 |
129 | XYP XYP | 0.8918 |
130 | A9B | 0.8918 |
131 | 27F | 0.8918 |
132 | SZ5 | 0.8915 |
133 | 3SU | 0.8914 |
134 | 2WU | 0.8911 |
135 | ZTW | 0.8911 |
136 | EED | 0.8910 |
137 | DX8 | 0.8909 |
138 | Z21 | 0.8908 |
139 | 789 | 0.8901 |
140 | 5E5 | 0.8892 |
141 | DRG | 0.8892 |
142 | 9TF | 0.8891 |
143 | 4ZF | 0.8891 |
144 | CHQ | 0.8890 |
145 | C0V | 0.8890 |
146 | W8L | 0.8886 |
147 | COL | 0.8881 |
148 | BHS | 0.8881 |
149 | QNM | 0.8880 |
150 | CDJ | 0.8879 |
151 | E9L | 0.8878 |
152 | H2W | 0.8877 |
153 | BIO | 0.8877 |
154 | MR4 | 0.8875 |
155 | S98 | 0.8871 |
156 | YE6 | 0.8866 |
157 | FQX | 0.8865 |
158 | 2GQ | 0.8861 |
159 | 5TY | 0.8861 |
160 | 5OR | 0.8861 |
161 | HH6 | 0.8856 |
162 | RGK | 0.8853 |
163 | 7EH | 0.8853 |
164 | 79X | 0.8852 |
165 | 7FZ | 0.8849 |
166 | XYS XYP | 0.8849 |
167 | NKI | 0.8849 |
168 | NPS | 0.8847 |
169 | 4NR | 0.8842 |
170 | SDN | 0.8841 |
171 | 609 | 0.8841 |
172 | AO | 0.8841 |
173 | ZRK | 0.8835 |
174 | TXQ | 0.8834 |
175 | LI7 | 0.8833 |
176 | FXE | 0.8833 |
177 | Z25 | 0.8832 |
178 | JOB | 0.8830 |
179 | SQM | 0.8829 |
180 | 2PV | 0.8829 |
181 | IQW | 0.8828 |
182 | BXS | 0.8826 |
183 | E6Q | 0.8825 |
184 | C4E | 0.8824 |
185 | ITE | 0.8824 |
186 | QS4 | 0.8820 |
187 | CMP | 0.8816 |
188 | 1UZ | 0.8815 |
189 | AGI | 0.8812 |
190 | 2PK | 0.8808 |
191 | CZ0 | 0.8808 |
192 | W23 | 0.8808 |
193 | BMZ | 0.8807 |
194 | AX1 | 0.8805 |
195 | TCR | 0.8805 |
196 | WLH | 0.8805 |
197 | HNT | 0.8803 |
198 | AJ1 | 0.8802 |
199 | RF2 | 0.8802 |
200 | 6QT | 0.8802 |
201 | H2B | 0.8800 |
202 | HBI | 0.8800 |
203 | YE7 | 0.8800 |
204 | NOG | 0.8799 |
205 | 9KZ | 0.8799 |
206 | NIF | 0.8796 |
207 | 657 | 0.8795 |
208 | 1FE | 0.8794 |
209 | 5ZM | 0.8794 |
210 | MR5 | 0.8793 |
211 | ADL | 0.8792 |
212 | 0SY | 0.8792 |
213 | ANF | 0.8790 |
214 | Q8G | 0.8788 |
215 | BGU | 0.8788 |
216 | BIH | 0.8788 |
217 | 0LA | 0.8787 |
218 | B61 | 0.8784 |
219 | 3GX | 0.8782 |
220 | 2P3 | 0.8781 |
221 | 338 | 0.8780 |
222 | H52 | 0.8777 |
223 | 1ZC | 0.8776 |
224 | 5WW | 0.8775 |
225 | A6W | 0.8775 |
226 | 3D8 | 0.8772 |
227 | UAY | 0.8771 |
228 | 122 | 0.8770 |
229 | S60 | 0.8769 |
230 | SAU | 0.8767 |
231 | 1TJ | 0.8766 |
232 | 5V7 | 0.8766 |
233 | FSE | 0.8761 |
234 | 08C | 0.8761 |
235 | AJM | 0.8755 |
236 | 245 | 0.8755 |
237 | RFZ | 0.8754 |
238 | 5GV | 0.8751 |
239 | 6JM | 0.8748 |
240 | VT3 | 0.8746 |
241 | 4HG | 0.8745 |
242 | O9Z | 0.8742 |
243 | 5SJ | 0.8742 |
244 | 537 | 0.8740 |
245 | 2QV | 0.8739 |
246 | NAR | 0.8737 |
247 | 1FL | 0.8737 |
248 | 1WO | 0.8736 |
249 | 7FU | 0.8735 |
250 | FFA | 0.8734 |
251 | 1R5 | 0.8734 |
252 | 7AP | 0.8732 |
253 | 91F | 0.8731 |
254 | THA | 0.8730 |
255 | 3UG | 0.8730 |
256 | LU2 | 0.8729 |
257 | XYS XYS | 0.8729 |
258 | AJG | 0.8729 |
259 | 907 | 0.8729 |
260 | ESJ | 0.8729 |
261 | D9Z | 0.8729 |
262 | WS6 | 0.8725 |
263 | KP2 | 0.8723 |
264 | JCZ | 0.8722 |
265 | 135 | 0.8722 |
266 | 6TJ | 0.8720 |
267 | HHS | 0.8720 |
268 | 8M5 | 0.8719 |
269 | M78 | 0.8719 |
270 | E3U | 0.8715 |
271 | KU1 | 0.8715 |
272 | 7G2 | 0.8714 |
273 | XCG | 0.8712 |
274 | F18 | 0.8709 |
275 | EAE | 0.8703 |
276 | 833 | 0.8694 |
277 | U13 | 0.8693 |
278 | BA5 | 0.8693 |
279 | 6JO | 0.8692 |
280 | 6H2 | 0.8689 |
281 | UA2 | 0.8688 |
282 | 6P3 | 0.8687 |
283 | IMH | 0.8684 |
284 | QUE | 0.8684 |
285 | 47V | 0.8681 |
286 | DXK | 0.8681 |
287 | V1T | 0.8679 |
288 | IIH | 0.8674 |
289 | 802 | 0.8671 |
290 | FHV | 0.8670 |
291 | NOM | 0.8667 |
292 | ZRL | 0.8667 |
293 | OA4 | 0.8667 |
294 | SJK | 0.8666 |
295 | 38E | 0.8665 |
296 | UN9 | 0.8663 |
297 | FNT | 0.8663 |
298 | NOS | 0.8661 |
299 | TMG | 0.8660 |
300 | B7H | 0.8659 |
301 | 5B2 | 0.8659 |
302 | A64 | 0.8657 |
303 | 2K8 | 0.8654 |
304 | LC1 | 0.8651 |
305 | B2E | 0.8650 |
306 | 797 | 0.8649 |
307 | A5Q | 0.8647 |
308 | NYJ | 0.8646 |
309 | CNI | 0.8646 |
310 | 9JT | 0.8646 |
311 | 3CA | 0.8645 |
312 | 4FC | 0.8645 |
313 | 0J5 | 0.8643 |
314 | LR2 | 0.8643 |
315 | EUH | 0.8641 |
316 | KMP | 0.8639 |
317 | 3VS | 0.8637 |
318 | 1AJ | 0.8637 |
319 | MD6 | 0.8637 |
320 | 5TT | 0.8635 |
321 | J38 | 0.8634 |
322 | KW7 | 0.8634 |
323 | EF2 | 0.8633 |
324 | Y3L | 0.8631 |
325 | 334 | 0.8629 |
326 | 1V0 | 0.8626 |
327 | 6WR | 0.8624 |
328 | 3AK | 0.8623 |
329 | TID | 0.8619 |
330 | 27M | 0.8619 |
331 | 0J4 | 0.8616 |
332 | 68A | 0.8615 |
333 | QIV | 0.8614 |
334 | HUL | 0.8613 |
335 | 1UT | 0.8612 |
336 | WA1 | 0.8610 |
337 | AV6 | 0.8608 |
338 | 97K | 0.8608 |
339 | M83 | 0.8608 |
340 | A5H | 0.8607 |
341 | LWS | 0.8607 |
342 | 1UR | 0.8604 |
343 | 0K7 | 0.8602 |
344 | JAH | 0.8602 |
345 | LR8 | 0.8601 |
346 | X0U | 0.8601 |
347 | WSD | 0.8601 |
348 | 1OT | 0.8597 |
349 | KN1 | 0.8597 |
350 | 1CA | 0.8595 |
351 | O53 | 0.8594 |
352 | 6EL | 0.8592 |
353 | 2AN | 0.8592 |
354 | 68C | 0.8591 |
355 | 6WL | 0.8591 |
356 | FT2 | 0.8590 |
357 | RDT | 0.8587 |
358 | SYE | 0.8584 |
359 | 52F | 0.8582 |
360 | WS7 | 0.8581 |
361 | Z3R | 0.8580 |
362 | E3X | 0.8579 |
363 | T98 | 0.8578 |
364 | HBO | 0.8575 |
365 | Q5M | 0.8575 |
366 | 4I8 | 0.8572 |
367 | 7A9 | 0.8571 |
368 | 1CE | 0.8562 |
369 | DEH | 0.8560 |
370 | 78Y | 0.8556 |
371 | B52 | 0.8556 |
372 | Q7U | 0.8555 |
373 | BJ4 | 0.8551 |
374 | X0T | 0.8548 |
375 | AUG | 0.8544 |
376 | 7EL | 0.8539 |
377 | 0RY | 0.8537 |
378 | SNI | 0.8533 |
379 | TFX | 0.8524 |
380 | 1Q2 | 0.8518 |
381 | FZM | 0.8509 |
382 | BER | 0.8505 |
This union binding pocket(no: 1) in the query (biounit: 5ai1.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ai1.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |