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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 1331 families. | |||||
1 | 4GQP | Kd = 0.79 nM | B40 | C10 H15 N | C[C@@H](Cc.... |
2 | 3GKZ | Kd = 10 nM | B40 | C10 H15 N | C[C@@H](Cc.... |
3 | 3GM0 | Kd = 17 nM | B41 | C11 H15 N O2 | C[C@@H](Cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4GQP | Kd = 0.79 nM | B40 | C10 H15 N | C[C@@H](Cc.... |
2 | 3GKZ | Kd = 10 nM | B40 | C10 H15 N | C[C@@H](Cc.... |
3 | 3GM0 | Kd = 17 nM | B41 | C11 H15 N O2 | C[C@@H](Cc.... |
4 | 5YD4 | Kd = 13 uM | ASP ILE ASN TYR TYR ALA SER GLU PRO | n/a | n/a |
5 | 5YY4 | Kd = 140 nM | ASP ILE ASN TYS TYS THR SER GLU PRO | n/a | n/a |
6 | 5YD3 | Kd = 480 nM | ASP ILE ASN TYR TYR THR SER GLU PRO | n/a | n/a |
7 | 5YD5 | Kd = 1.3 uM | ASP ILE ALA TYR TYR THR SER GLU PRO | n/a | n/a |
8 | 6QB9 | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
9 | 4H0I | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
10 | 5VF2 | - | GLC GLC | n/a | n/a |
11 | 5J75 | Ki = 0.63 nM | 6GQ | C19 H24 N4 O3 S | Cc1ccc(cc1.... |
12 | 5A2K | - | ALA PRO ASP THR ARG PRO A2G | n/a | n/a |
13 | 6FRJ | Kd = 141 uM | ALA PRO ASP T9E ARG PRO NH2 A2G | n/a | n/a |
14 | 5A2L | - | ALA PRO ASP CYS ARG PRO A2G | n/a | n/a |
15 | 5A2I | - | ALA PRO ASP SER ARG PRO A2G | n/a | n/a |
16 | 6FZR | - | ALA PRO ASP THR ARG PRO EEQ | n/a | n/a |
17 | 6FZQ | - | ALA PRO ASP THR ARG PRO EEN | n/a | n/a |
18 | 5A2J | - | ALA PRO ASP THR ARG PRO | n/a | n/a |
19 | 5FXC | - | ALA PRO ASP THR ARG PRO | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TRP | 0.9608 |
2 | 3VX | 0.9603 |
3 | DHY | 0.9542 |
4 | SYE | 0.9523 |
5 | 9BF | 0.9508 |
6 | EYV | 0.9506 |
7 | GO2 | 0.9503 |
8 | TSR | 0.9493 |
9 | YOF | 0.9489 |
10 | DTR | 0.9481 |
11 | NAL | 0.9459 |
12 | IOS | 0.9451 |
13 | ZON | 0.9444 |
14 | 8U3 | 0.9434 |
15 | FWD | 0.9425 |
16 | I2E | 0.9422 |
17 | IAC | 0.9420 |
18 | IOP | 0.9418 |
19 | TYR | 0.9411 |
20 | 4Z9 | 0.9411 |
21 | DAH | 0.9408 |
22 | LTN | 0.9386 |
23 | 363 | 0.9371 |
24 | AAN | 0.9369 |
25 | MQB | 0.9368 |
26 | CWD | 0.9350 |
27 | MMS | 0.9346 |
28 | 0A1 | 0.9345 |
29 | 8XL | 0.9339 |
30 | 3IL | 0.9338 |
31 | ENO | 0.9332 |
32 | EYJ | 0.9331 |
33 | AZY | 0.9322 |
34 | RVE | 0.9321 |
35 | ZIQ | 0.9289 |
36 | EYY | 0.9288 |
37 | DTY | 0.9284 |
38 | N7I | 0.9284 |
39 | FT6 | 0.9278 |
40 | DEW | 0.9275 |
41 | DHC | 0.9275 |
42 | 4AF | 0.9274 |
43 | IYR | 0.9264 |
44 | 4HP | 0.9259 |
45 | 4NS | 0.9259 |
46 | 4NP | 0.9258 |
47 | FER | 0.9258 |
48 | 4BX | 0.9256 |
49 | TYE | 0.9254 |
50 | BWD | 0.9252 |
51 | MP5 | 0.9249 |
52 | PHE | 0.9249 |
53 | TYC | 0.9244 |
54 | TMG | 0.9239 |
55 | DCZ | 0.9231 |
56 | QIV | 0.9230 |
57 | 4OG | 0.9228 |
58 | GO8 | 0.9228 |
59 | 5WN | 0.9226 |
60 | NPA | 0.9224 |
61 | CTE | 0.9221 |
62 | D8Q | 0.9218 |
63 | GWM | 0.9213 |
64 | 61M | 0.9213 |
65 | ITW | 0.9209 |
66 | 2FX | 0.9209 |
67 | 6N4 | 0.9208 |
68 | CIY | 0.9208 |
69 | YF3 | 0.9207 |
70 | QBM | 0.9203 |
71 | CFA | 0.9201 |
72 | HWD | 0.9196 |
73 | 96Z | 0.9194 |
74 | NFM | 0.9192 |
75 | IWD | 0.9190 |
76 | KYN | 0.9186 |
77 | NIY | 0.9184 |
78 | 3C4 | 0.9182 |
79 | TSS | 0.9181 |
80 | PH3 | 0.9178 |
81 | C0W | 0.9178 |
82 | ALE | 0.9177 |
83 | EUH | 0.9175 |
84 | 1BW | 0.9173 |
85 | 2JX | 0.9172 |
86 | KF5 | 0.9171 |
87 | S24 | 0.9169 |
88 | 1F1 | 0.9167 |
89 | ZEA | 0.9167 |
90 | BL0 | 0.9164 |
91 | 2UD | 0.9164 |
92 | MAJ | 0.9164 |
93 | 3VW | 0.9163 |
94 | CXH | 0.9160 |
95 | DUR | 0.9159 |
96 | M5H | 0.9158 |
97 | N91 | 0.9158 |
98 | LL2 | 0.9154 |
99 | 3IB | 0.9153 |
100 | BQ2 | 0.9153 |
101 | 6C5 | 0.9153 |
102 | 657 | 0.9149 |
103 | PNP | 0.9147 |
104 | TR7 | 0.9146 |
105 | PFF | 0.9146 |
106 | PPN | 0.9137 |
107 | NWD | 0.9135 |
108 | LVD | 0.9134 |
109 | NVU | 0.9134 |
110 | A7H | 0.9133 |
111 | 36M | 0.9131 |
112 | AMR | 0.9130 |
113 | 848 | 0.9129 |
114 | 27K | 0.9129 |
115 | XEN | 0.9127 |
116 | FPL | 0.9126 |
117 | 5B2 | 0.9125 |
118 | JB8 | 0.9123 |
119 | SRO | 0.9119 |
120 | AEG | 0.9117 |
121 | 78U | 0.9115 |
122 | 92P | 0.9114 |
123 | HPP | 0.9111 |
124 | HLP | 0.9111 |
125 | LDP | 0.9111 |
126 | CC5 | 0.9109 |
127 | PLP | 0.9106 |
128 | LDC | 0.9094 |
129 | EQW | 0.9092 |
130 | P80 | 0.9091 |
131 | 6DP | 0.9090 |
132 | ZIP | 0.9086 |
133 | S0F | 0.9085 |
134 | XI7 | 0.9084 |
135 | MD6 | 0.9082 |
136 | VM1 | 0.9082 |
137 | JY2 | 0.9076 |
138 | HJH | 0.9076 |
139 | F4E | 0.9076 |
140 | 9UL | 0.9073 |
141 | 2KU | 0.9071 |
142 | PLR | 0.9066 |
143 | DDU | 0.9065 |
144 | APS | 0.9063 |
145 | C53 | 0.9062 |
146 | 2LT | 0.9061 |
147 | HL4 | 0.9060 |
148 | 6FZ | 0.9058 |
149 | HSX | 0.9056 |
150 | TB8 | 0.9056 |
151 | JDN | 0.9056 |
152 | AHC | 0.9055 |
153 | PBN | 0.9055 |
154 | 4MB | 0.9055 |
155 | GT4 | 0.9053 |
156 | AC2 | 0.9052 |
157 | NAG | 0.9049 |
158 | TOH | 0.9048 |
159 | H35 | 0.9046 |
160 | 6ZX | 0.9044 |
161 | X6P | 0.9044 |
162 | ABF | 0.9042 |
163 | JXK | 0.9041 |
164 | C2Y | 0.9038 |
165 | 9B3 | 0.9036 |
166 | M3Q | 0.9033 |
167 | 4I8 | 0.9029 |
168 | PPT | 0.9026 |
169 | N9J | 0.9025 |
170 | J4K | 0.9024 |
171 | ZEZ | 0.9024 |
172 | OW7 | 0.9023 |
173 | 3IP | 0.9022 |
174 | NFZ | 0.9021 |
175 | S7G | 0.9019 |
176 | BZQ | 0.9017 |
177 | GC2 | 0.9017 |
178 | G6P | 0.9016 |
179 | 4BF | 0.9016 |
180 | 4XF | 0.9016 |
181 | PF1 | 0.9014 |
182 | UA5 | 0.9014 |
183 | 5LD | 0.9014 |
184 | G1P | 0.9014 |
185 | 11X | 0.9012 |
186 | 3N1 | 0.9012 |
187 | 3EB | 0.9012 |
188 | 6MW | 0.9010 |
189 | LTT | 0.9009 |
190 | THM | 0.9007 |
191 | S0W | 0.9006 |
192 | 6J9 | 0.9006 |
193 | H4B | 0.9005 |
194 | YTX | 0.9004 |
195 | M78 | 0.9001 |
196 | HBI | 0.8999 |
197 | FCW | 0.8998 |
198 | OA1 | 0.8996 |
199 | QH3 | 0.8995 |
200 | 5DS | 0.8993 |
201 | ARP | 0.8991 |
202 | 6HP | 0.8989 |
203 | BK9 | 0.8989 |
204 | N2I | 0.8987 |
205 | H7Y | 0.8984 |
206 | PO6 | 0.8983 |
207 | CH8 | 0.8982 |
208 | ERZ | 0.8981 |
209 | TZM | 0.8978 |
210 | LNR | 0.8978 |
211 | 4FP | 0.8977 |
212 | 5O6 | 0.8976 |
213 | XRX | 0.8975 |
214 | MJ5 | 0.8975 |
215 | 1VK | 0.8973 |
216 | B5A | 0.8970 |
217 | B40 | 0.8970 |
218 | YIE | 0.8968 |
219 | 6L6 | 0.8968 |
220 | 7MX | 0.8964 |
221 | LL1 | 0.8963 |
222 | K7M | 0.8963 |
223 | EXG | 0.8961 |
224 | 6C9 | 0.8961 |
225 | H7S | 0.8960 |
226 | 0OO | 0.8957 |
227 | 3QO | 0.8956 |
228 | 9VQ | 0.8954 |
229 | 5RP | 0.8952 |
230 | DJN | 0.8950 |
231 | RK4 | 0.8950 |
232 | 2O8 | 0.8950 |
233 | 2L1 | 0.8950 |
234 | SY4 | 0.8948 |
235 | DTE | 0.8947 |
236 | WA2 | 0.8946 |
237 | BGP | 0.8946 |
238 | EN1 | 0.8945 |
239 | 0QA | 0.8945 |
240 | Q9P | 0.8944 |
241 | XRS | 0.8941 |
242 | PRO GLY | 0.8940 |
243 | Q9Z | 0.8939 |
244 | JXT | 0.8938 |
245 | A7Q | 0.8937 |
246 | QMS | 0.8936 |
247 | C9M | 0.8936 |
248 | ETV | 0.8935 |
249 | 263 | 0.8935 |
250 | JXQ | 0.8934 |
251 | ATX | 0.8934 |
252 | FK8 | 0.8933 |
253 | RP5 | 0.8933 |
254 | BB4 | 0.8932 |
255 | BPW | 0.8931 |
256 | 0OY | 0.8929 |
257 | C4E | 0.8929 |
258 | 4MP | 0.8929 |
259 | 86L | 0.8928 |
260 | 26P | 0.8927 |
261 | GNW | 0.8927 |
262 | SB7 | 0.8926 |
263 | HNL | 0.8921 |
264 | HX8 | 0.8920 |
265 | YPN | 0.8920 |
266 | 3D3 | 0.8920 |
267 | 5F5 | 0.8919 |
268 | NGA | 0.8919 |
269 | 4ZD | 0.8918 |
270 | 5TO | 0.8917 |
271 | 4Z1 | 0.8916 |
272 | QUS | 0.8915 |
273 | JPQ | 0.8915 |
274 | M02 | 0.8915 |
275 | 5C1 | 0.8914 |
276 | PPY | 0.8914 |
277 | AVA | 0.8914 |
278 | 88L | 0.8914 |
279 | 49P | 0.8913 |
280 | QME | 0.8911 |
281 | 5DL | 0.8911 |
282 | 42J | 0.8910 |
283 | PMP | 0.8910 |
284 | 8OE | 0.8910 |
285 | OOG | 0.8910 |
286 | BG6 | 0.8910 |
287 | RQD | 0.8909 |
288 | OJD | 0.8909 |
289 | H2B | 0.8909 |
290 | 5ER | 0.8908 |
291 | 5GT | 0.8908 |
292 | 9FH | 0.8908 |
293 | P7Y | 0.8907 |
294 | CS2 | 0.8907 |
295 | 22F | 0.8905 |
296 | SQV | 0.8903 |
297 | 4YZ | 0.8901 |
298 | GB4 | 0.8899 |
299 | 6HO | 0.8898 |
300 | JYT | 0.8897 |
301 | 1QP | 0.8897 |
302 | 3H2 | 0.8895 |
303 | GZV | 0.8894 |
304 | K82 | 0.8893 |
305 | JYK | 0.8892 |
306 | 5E5 | 0.8892 |
307 | 2UB | 0.8891 |
308 | ENG | 0.8891 |
309 | 6Q3 | 0.8890 |
310 | HWH | 0.8890 |
311 | RP3 | 0.8888 |
312 | XQI | 0.8887 |
313 | ARG | 0.8886 |
314 | 5F1 | 0.8885 |
315 | CX4 | 0.8885 |
316 | 258 | 0.8885 |
317 | HXY | 0.8884 |
318 | E4P | 0.8883 |
319 | 4CF | 0.8882 |
320 | DBS | 0.8881 |
321 | EQA | 0.8881 |
322 | PQZ | 0.8880 |
323 | OHJ | 0.8880 |
324 | Z13 | 0.8879 |
325 | N1E | 0.8879 |
326 | H4E | 0.8879 |
327 | BDI | 0.8878 |
328 | SAF | 0.8876 |
329 | 6VD | 0.8875 |
330 | 22L | 0.8871 |
331 | 0OL | 0.8871 |
332 | 4TB | 0.8870 |
333 | 9F8 | 0.8869 |
334 | SSC | 0.8869 |
335 | 7N8 | 0.8868 |
336 | 3SU | 0.8867 |
337 | 3L1 | 0.8866 |
338 | EWG | 0.8863 |
339 | SBK | 0.8863 |
340 | YI6 | 0.8861 |
341 | HA6 | 0.8860 |
342 | HNK | 0.8857 |
343 | 6C4 | 0.8856 |
344 | TLM | 0.8856 |
345 | NFA | 0.8856 |
346 | FTV | 0.8855 |
347 | HL6 | 0.8854 |
348 | HIC | 0.8854 |
349 | 0LH | 0.8853 |
350 | GLP | 0.8853 |
351 | F90 | 0.8853 |
352 | JF5 | 0.8850 |
353 | DEZ | 0.8849 |
354 | P93 | 0.8849 |
355 | 531 | 0.8849 |
356 | 1OS | 0.8847 |
357 | 0FR | 0.8846 |
358 | 8ZE | 0.8843 |
359 | HHH | 0.8842 |
360 | 2FY | 0.8842 |
361 | 8OB | 0.8840 |
362 | 1BN | 0.8839 |
363 | 3XR | 0.8837 |
364 | STT | 0.8837 |
365 | TLG | 0.8836 |
366 | F06 | 0.8836 |
367 | YE6 | 0.8835 |
368 | ASE | 0.8835 |
369 | E1P | 0.8834 |
370 | 6C8 | 0.8834 |
371 | F52 | 0.8833 |
372 | 1L5 | 0.8833 |
373 | 9KZ | 0.8832 |
374 | 5F8 | 0.8832 |
375 | CSN | 0.8832 |
376 | SJK | 0.8831 |
377 | EXR | 0.8830 |
378 | DI6 | 0.8830 |
379 | RPN | 0.8828 |
380 | 3TC | 0.8827 |
381 | 5SP | 0.8826 |
382 | NIP | 0.8824 |
383 | 5FL | 0.8824 |
384 | GCO | 0.8823 |
385 | 9VZ | 0.8821 |
386 | MXD | 0.8821 |
387 | 1PS | 0.8821 |
388 | MDR | 0.8819 |
389 | 6FG | 0.8816 |
390 | 3LJ | 0.8816 |
391 | 1YO | 0.8816 |
392 | TL6 | 0.8814 |
393 | WCU | 0.8813 |
394 | 2DL | 0.8810 |
395 | TXW | 0.8809 |
396 | G8V | 0.8806 |
397 | PXP | 0.8804 |
398 | RES | 0.8803 |
399 | 4AB | 0.8801 |
400 | AUV | 0.8800 |
401 | AHN | 0.8799 |
402 | THU | 0.8799 |
403 | GXG | 0.8799 |
404 | WVV | 0.8798 |
405 | KLV | 0.8797 |
406 | YIH | 0.8796 |
407 | EGV | 0.8795 |
408 | 8YH | 0.8793 |
409 | O45 | 0.8792 |
410 | 9GP | 0.8790 |
411 | D1Y | 0.8788 |
412 | 5MD | 0.8788 |
413 | JGY | 0.8787 |
414 | 5PV | 0.8784 |
415 | PQT | 0.8782 |
416 | HFA | 0.8782 |
417 | NBG | 0.8779 |
418 | 5O5 | 0.8779 |
419 | E9P | 0.8779 |
420 | 3D1 | 0.8778 |
421 | 0DN | 0.8778 |
422 | A8K | 0.8777 |
423 | JF2 | 0.8776 |
424 | 4WF | 0.8776 |
425 | FCD | 0.8776 |
426 | A4V | 0.8776 |
427 | AEH | 0.8775 |
428 | 30G | 0.8775 |
429 | 0NX | 0.8774 |
430 | 7VY | 0.8773 |
431 | S7A | 0.8772 |
432 | LLT | 0.8771 |
433 | BSA | 0.8769 |
434 | K4V | 0.8768 |
435 | P9E | 0.8768 |
436 | E9S | 0.8767 |
437 | ISA | 0.8763 |
438 | N2Y | 0.8763 |
439 | JGB | 0.8760 |
440 | BHS | 0.8759 |
441 | R9G | 0.8759 |
442 | EOL | 0.8756 |
443 | YZM | 0.8755 |
444 | 0XR | 0.8754 |
445 | GHQ | 0.8753 |
446 | N9M | 0.8753 |
447 | 4GU | 0.8753 |
448 | ZME | 0.8752 |
449 | BRH | 0.8750 |
450 | D1G | 0.8744 |
451 | I59 | 0.8744 |
452 | F63 | 0.8744 |
453 | 2HC | 0.8743 |
454 | 3XH | 0.8743 |
455 | L21 | 0.8742 |
456 | MJW | 0.8741 |
457 | PHI | 0.8739 |
458 | IC9 | 0.8737 |
459 | STV | 0.8736 |
460 | IPD | 0.8734 |
461 | JOV | 0.8733 |
462 | CCV | 0.8729 |
463 | NK5 | 0.8725 |
464 | SCT | 0.8721 |
465 | HPT | 0.8720 |
466 | AVO | 0.8719 |
467 | MUX | 0.8718 |
468 | 8MP | 0.8717 |
469 | 3D8 | 0.8716 |
470 | BZM | 0.8715 |
471 | 3Y7 | 0.8715 |
472 | ZZU | 0.8714 |
473 | DX5 | 0.8711 |
474 | 4AV | 0.8710 |
475 | GLU | 0.8708 |
476 | CHQ | 0.8707 |
477 | HNM | 0.8706 |
478 | 2J5 | 0.8704 |
479 | 1FD | 0.8703 |
480 | M74 | 0.8703 |
481 | X0T | 0.8701 |
482 | 3QM | 0.8700 |
483 | GJG | 0.8699 |
484 | 54Z | 0.8698 |
485 | PUE | 0.8697 |
486 | FWB | 0.8694 |
487 | M4E | 0.8694 |
488 | A3M | 0.8691 |
489 | MZM | 0.8691 |
490 | Q5M | 0.8690 |
491 | DE3 | 0.8688 |
492 | 2LY | 0.8688 |
493 | 54F | 0.8686 |
494 | KPV | 0.8686 |
495 | NEO | 0.8680 |
496 | 79W | 0.8679 |
497 | 4R1 | 0.8678 |
498 | D2G | 0.8677 |
499 | 9W5 | 0.8677 |
500 | PTB | 0.8673 |
501 | 0OP | 0.8673 |
502 | TU0 | 0.8671 |
503 | PZP | 0.8669 |
504 | M28 | 0.8669 |
505 | VXX | 0.8669 |
506 | 6DQ | 0.8668 |
507 | 1X4 | 0.8667 |
508 | Z70 | 0.8666 |
509 | EXL | 0.8664 |
510 | P2L | 0.8663 |
511 | 7AP | 0.8663 |
512 | 67Y | 0.8659 |
513 | FNA | 0.8659 |
514 | DXG | 0.8659 |
515 | F6P | 0.8659 |
516 | J0Z | 0.8657 |
517 | GZ2 | 0.8652 |
518 | TZP | 0.8649 |
519 | C9E | 0.8649 |
520 | J9Y | 0.8649 |
521 | 0GA | 0.8648 |
522 | 7PJ | 0.8646 |
523 | A6P | 0.8645 |
524 | 22T | 0.8642 |
525 | GXD | 0.8639 |
526 | CXP | 0.8637 |
527 | LGT | 0.8636 |
528 | MPU | 0.8636 |
529 | MCY | 0.8632 |
530 | GNR | 0.8630 |
531 | E0O | 0.8630 |
532 | A7N | 0.8628 |
533 | TA6 | 0.8624 |
534 | S7D | 0.8623 |
535 | VD9 | 0.8622 |
536 | GLR | 0.8622 |
537 | 0QW | 0.8618 |
538 | DER | 0.8611 |
539 | B61 | 0.8611 |
540 | B86 | 0.8609 |
541 | 3DT | 0.8607 |
542 | 1AJ | 0.8606 |
543 | B15 | 0.8604 |
544 | KDG | 0.8601 |
545 | D3G | 0.8598 |
546 | CMU | 0.8597 |
547 | ID2 | 0.8596 |
548 | A5P | 0.8595 |
549 | W23 | 0.8591 |
550 | L99 | 0.8590 |
551 | DXP | 0.8584 |
552 | JA3 | 0.8578 |
553 | 5BT | 0.8576 |
554 | G30 | 0.8575 |
555 | ZMG | 0.8569 |
556 | QIF | 0.8568 |
557 | S8V | 0.8568 |
558 | BCU | 0.8566 |
559 | EGR | 0.8566 |
560 | 6U5 | 0.8558 |
561 | 5TT | 0.8552 |
562 | JXW | 0.8550 |
563 | OKM | 0.8545 |
564 | 327 | 0.8539 |
565 | API | 0.8538 |
566 | C6Z | 0.8538 |
567 | D6G | 0.8535 |
568 | SHI | 0.8530 |
569 | HJ7 | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 4gqp.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1MJJ | HAL | 38.3562 |