- 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 5 families. | |||||
1 | 6L50 | - | E60 | C3 H3 N O S2 | C1C(=O)NC(.... |
2 | 6KK2 | - | D9U | C32 H54 N10 O5 | [H]/N=C(N).... |
3 | 5ZOB | - | 2UE ARG ARG ARG 00S | n/a | n/a |
4 | 5H4I | - | 7HQ | C8 H8 N2 O | c1ccc2c(c1.... |
5 | 6KK4 | - | DE0 | C31 H52 N10 O5 | [H]/N=C(/N.... |
6 | 6KK5 | - | DE6 | C31 H52 N10 O5 | [H]/N=C(/N.... |
7 | 5ZMQ | - | PAC DLY DLY DAR | n/a | n/a |
8 | 6Y3B | - | O7N | C30 H50 N10 O5 | [H]/N=C(/N.... |
9 | 6JPW | - | SER C0F GLY LYS ARG LYS | n/a | n/a |
10 | 6KK6 | - | DV0 | C31 H52 N10 O5 | [H]/N=C(/N.... |
11 | 5ZMS | - | 2UE DLY LYS DAR | n/a | n/a |
12 | 6KK3 | - | DUU | C32 H54 N10 O5 | [H]/N=C(N).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 6L50 | - | E60 | C3 H3 N O S2 | C1C(=O)NC(.... |
2 | 6KK2 | - | D9U | C32 H54 N10 O5 | [H]/N=C(N).... |
3 | 5ZOB | - | 2UE ARG ARG ARG 00S | n/a | n/a |
4 | 5H4I | - | 7HQ | C8 H8 N2 O | c1ccc2c(c1.... |
5 | 6KK4 | - | DE0 | C31 H52 N10 O5 | [H]/N=C(/N.... |
6 | 6KK5 | - | DE6 | C31 H52 N10 O5 | [H]/N=C(/N.... |
7 | 5ZMQ | - | PAC DLY DLY DAR | n/a | n/a |
8 | 6Y3B | - | O7N | C30 H50 N10 O5 | [H]/N=C(/N.... |
9 | 6JPW | - | SER C0F GLY LYS ARG LYS | n/a | n/a |
10 | 6KK6 | - | DV0 | C31 H52 N10 O5 | [H]/N=C(/N.... |
11 | 5ZMS | - | 2UE DLY LYS DAR | n/a | n/a |
12 | 3U1I | Ki = 5.6 uM | BEZ NLE LYS ARG OAR | n/a | n/a |
13 | 6KK3 | - | DUU | C32 H54 N10 O5 | [H]/N=C(N).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | E60 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 24T | 0.9883 |
2 | DMG | 0.9880 |
3 | 284 | 0.9866 |
4 | HYN | 0.9839 |
5 | CEJ | 0.9821 |
6 | 25T | 0.9820 |
7 | CRS | 0.9806 |
8 | RCO | 0.9793 |
9 | BVF | 0.9767 |
10 | 3CH | 0.9761 |
11 | M3T | 0.9757 |
12 | B3R | 0.9757 |
13 | HGQ | 0.9743 |
14 | HEW | 0.9743 |
15 | CIG | 0.9737 |
16 | CYT | 0.9737 |
17 | MLA | 0.9734 |
18 | LG5 | 0.9734 |
19 | URA | 0.9726 |
20 | LG3 | 0.9724 |
21 | MLI | 0.9709 |
22 | 1DH | 0.9708 |
23 | GXE | 0.9704 |
24 | HHQ | 0.9700 |
25 | CYH | 0.9697 |
26 | XIX | 0.9697 |
27 | C5J | 0.9690 |
28 | 26D | 0.9684 |
29 | 8GF | 0.9666 |
30 | DUC | 0.9656 |
31 | CYS | 0.9654 |
32 | HAI | 0.9644 |
33 | HIU | 0.9623 |
34 | SER | 0.9616 |
35 | V1L | 0.9610 |
36 | HHN | 0.9606 |
37 | HGW | 0.9603 |
38 | MBN | 0.9601 |
39 | IPH | 0.9599 |
40 | 2KT | 0.9597 |
41 | 8CL | 0.9594 |
42 | TTO | 0.9593 |
43 | CXL | 0.9592 |
44 | 285 | 0.9586 |
45 | 3AP | 0.9578 |
46 | PIH | 0.9575 |
47 | GOL | 0.9573 |
48 | DSN | 0.9572 |
49 | AMC | 0.9567 |
50 | WOT | 0.9558 |
51 | MZ0 | 0.9556 |
52 | 4AP | 0.9555 |
53 | MZY | 0.9555 |
54 | 2AP | 0.9550 |
55 | MZW | 0.9543 |
56 | LGA | 0.9537 |
57 | 7EX | 0.9536 |
58 | KG7 | 0.9535 |
59 | PYZ | 0.9529 |
60 | NVI | 0.9528 |
61 | 3ZQ | 0.9526 |
62 | JZ6 | 0.9523 |
63 | 2IM | 0.9517 |
64 | HVK | 0.9516 |
65 | MMZ | 0.9515 |
66 | 3PY | 0.9515 |
67 | BYZ | 0.9504 |
68 | 9PO | 0.9502 |
69 | 3MT | 0.9502 |
70 | DTL | 0.9488 |
71 | 5KX | 0.9476 |
72 | TMT | 0.9472 |
73 | IDH | 0.9470 |
74 | DTI | 0.9469 |
75 | TMZ | 0.9468 |
76 | AMT | 0.9463 |
77 | 4MZ | 0.9458 |
78 | 4JU | 0.9457 |
79 | SAR | 0.9454 |
80 | ES3 | 0.9453 |
81 | A2Q | 0.9453 |
82 | 280 | 0.9450 |
83 | HPY | 0.9447 |
84 | 2MZ | 0.9446 |
85 | 3GR | 0.9445 |
86 | 5MP | 0.9435 |
87 | 93B | 0.9430 |
88 | FPI | 0.9430 |
89 | 1MZ | 0.9425 |
90 | HBX | 0.9423 |
91 | DGY | 0.9421 |
92 | 1CB | 0.9421 |
93 | 282 | 0.9419 |
94 | 40O | 0.9411 |
95 | BEW | 0.9399 |
96 | AAE | 0.9398 |
97 | OHG | 0.9396 |
98 | ATQ | 0.9393 |
99 | BVC | 0.9392 |
100 | ABN | 0.9387 |
101 | HRZ | 0.9386 |
102 | RSF | 0.9385 |
103 | 3TR | 0.9383 |
104 | HVQ | 0.9382 |
105 | PY7 | 0.9381 |
106 | OXE | 0.9378 |
107 | SYN | 0.9376 |
108 | LG4 | 0.9371 |
109 | BAQ | 0.9363 |
110 | 2DR | 0.9358 |
111 | MR3 | 0.9358 |
112 | PYF | 0.9358 |
113 | 2MH | 0.9353 |
114 | BAL | 0.9351 |
115 | MEU | 0.9348 |
116 | ABA | 0.9348 |
117 | HSL | 0.9346 |
118 | 278 | 0.9344 |
119 | M2H | 0.9343 |
120 | DXX | 0.9338 |
121 | L89 | 0.9336 |
122 | APY | 0.9336 |
123 | H3M | 0.9332 |
124 | 4XX | 0.9332 |
125 | BVG | 0.9331 |
126 | HGY | 0.9329 |
127 | CAQ | 0.9329 |
128 | FP2 | 0.9326 |
129 | BUA | 0.9322 |
130 | YAN | 0.9321 |
131 | DMI | 0.9320 |
132 | HQE | 0.9307 |
133 | 25R | 0.9303 |
134 | L60 | 0.9303 |
135 | 1AN | 0.9295 |
136 | PXY | 0.9294 |
137 | MAK | 0.9292 |
138 | OXL | 0.9292 |
139 | 23W | 0.9281 |
140 | 76X | 0.9279 |
141 | OXD | 0.9278 |
142 | MB3 | 0.9276 |
143 | FW5 | 0.9276 |
144 | NBE | 0.9275 |
145 | EGD | 0.9274 |
146 | 47J | 0.9273 |
147 | 2AF | 0.9269 |
148 | 938 | 0.9268 |
149 | ECE | 0.9266 |
150 | 1DU | 0.9262 |
151 | PLQ | 0.9259 |
152 | C2N | 0.9255 |
153 | DA1 | 0.9251 |
154 | HSE | 0.9250 |
155 | GBL | 0.9246 |
156 | RP7 | 0.9240 |
157 | 3OH | 0.9232 |
158 | PCR | 0.9229 |
159 | HOW | 0.9227 |
160 | PYJ | 0.9226 |
161 | J1Z | 0.9226 |
162 | MTD | 0.9223 |
163 | FOA | 0.9221 |
164 | OXM | 0.9217 |
165 | 1PT | 0.9215 |
166 | C2A | 0.9214 |
167 | BP9 | 0.9210 |
168 | 2CH | 0.9209 |
169 | SMB | 0.9206 |
170 | FPN | 0.9205 |
171 | PUT | 0.9204 |
172 | 2AI | 0.9199 |
173 | DAL | 0.9199 |
174 | HUI | 0.9198 |
175 | MMU | 0.9197 |
176 | MCT | 0.9192 |
177 | 3CE | 0.9188 |
178 | VAL | 0.9187 |
179 | HTS | 0.9186 |
180 | 6MH | 0.9185 |
181 | 275 | 0.9181 |
182 | TM4 | 0.9179 |
183 | 4JJ | 0.9178 |
184 | 4CL | 0.9175 |
185 | 4HO | 0.9173 |
186 | 1MR | 0.9172 |
187 | XYD | 0.9172 |
188 | 39J | 0.9171 |
189 | BR9 | 0.9170 |
190 | DCY | 0.9170 |
191 | 3MC | 0.9167 |
192 | KIV | 0.9167 |
193 | JZ2 | 0.9166 |
194 | PYG | 0.9164 |
195 | DBB | 0.9163 |
196 | 2CM | 0.9161 |
197 | XYP | 0.9161 |
198 | 2AC | 0.9159 |
199 | IOL | 0.9159 |
200 | B24 | 0.9157 |
201 | URF | 0.9155 |
202 | MTG | 0.9155 |
203 | MBD | 0.9154 |
204 | TH0 | 0.9151 |
205 | TM7 | 0.9150 |
206 | AHR | 0.9146 |
207 | SLP | 0.9145 |
208 | PYR | 0.9144 |
209 | 1MC | 0.9143 |
210 | XBZ | 0.9142 |
211 | HSM | 0.9142 |
212 | BML | 0.9139 |
213 | DUB | 0.9139 |
214 | 2C9 | 0.9137 |
215 | TDR | 0.9134 |
216 | 34A | 0.9128 |
217 | 9CL | 0.9125 |
218 | 2HA | 0.9125 |
219 | 3FA | 0.9124 |
220 | PYC | 0.9121 |
221 | 6SP | 0.9121 |
222 | 2MY | 0.9119 |
223 | GMN | 0.9118 |
224 | KSW | 0.9117 |
225 | 265 | 0.9117 |
226 | FFP | 0.9114 |
227 | 2MP | 0.9113 |
228 | LAC | 0.9110 |
229 | 4CH | 0.9110 |
230 | TZC | 0.9110 |
231 | 92Z | 0.9108 |
232 | JZ0 | 0.9107 |
233 | PRI | 0.9107 |
234 | PRO | 0.9107 |
235 | 2RA | 0.9101 |
236 | 2EZ | 0.9100 |
237 | JAB | 0.9100 |
238 | FLM | 0.9100 |
239 | WBU | 0.9097 |
240 | 8LG | 0.9097 |
241 | 43M | 0.9089 |
242 | IVA | 0.9088 |
243 | 273 | 0.9088 |
244 | 5UC | 0.9087 |
245 | 4JN | 0.9086 |
246 | LDU | 0.9084 |
247 | 93Q | 0.9083 |
248 | 2OP | 0.9078 |
249 | 3MH | 0.9077 |
250 | 9X7 | 0.9076 |
251 | JBN | 0.9075 |
252 | GXV | 0.9075 |
253 | 4HS | 0.9071 |
254 | 4SD | 0.9070 |
255 | 1SP | 0.9069 |
256 | HAE | 0.9064 |
257 | 286 | 0.9060 |
258 | 4JO | 0.9058 |
259 | TP5 | 0.9055 |
260 | THR | 0.9054 |
261 | 5MH | 0.9051 |
262 | D2P | 0.9049 |
263 | CP | 0.9049 |
264 | B20 | 0.9048 |
265 | IUR | 0.9047 |
266 | MSF | 0.9047 |
267 | PYM | 0.9044 |
268 | 2PC | 0.9043 |
269 | 2YU | 0.9042 |
270 | JZ5 | 0.9041 |
271 | A3B | 0.9039 |
272 | 2ZX | 0.9038 |
273 | 3BB | 0.9032 |
274 | SGL | 0.9030 |
275 | HBA | 0.9027 |
276 | ALA | 0.9023 |
277 | ICP | 0.9019 |
278 | PYD | 0.9019 |
279 | MLT | 0.9015 |
280 | 94N | 0.9010 |
281 | 3ZS | 0.9008 |
282 | SMV | 0.9007 |
283 | 0PY | 0.9006 |
284 | PHB | 0.9006 |
285 | ICC | 0.9004 |
286 | GOA | 0.9002 |
287 | TF4 | 0.9001 |
288 | TFB | 0.9001 |
289 | CHT | 0.9000 |
290 | BNZ | 0.8996 |
291 | BUB | 0.8994 |
292 | MPI | 0.8993 |
293 | AX2 | 0.8991 |
294 | FAH | 0.8989 |
295 | 0R1 | 0.8989 |
296 | 4JP | 0.8989 |
297 | TLD | 0.8988 |
298 | IHG | 0.8988 |
299 | NIS | 0.8988 |
300 | IND | 0.8987 |
301 | DTU | 0.8982 |
302 | 13X | 0.8981 |
303 | AKR | 0.8980 |
304 | 3AY | 0.8978 |
305 | GLV | 0.8977 |
306 | LZ1 | 0.8975 |
307 | GLY | 0.8974 |
308 | 69O | 0.8973 |
309 | DEN | 0.8972 |
310 | ALO | 0.8972 |
311 | BZI | 0.8971 |
312 | BZF | 0.8969 |
313 | 4H2 | 0.8968 |
314 | 0CT | 0.8966 |
315 | 03W | 0.8964 |
316 | 61G | 0.8964 |
317 | SSN | 0.8961 |
318 | 5Y9 | 0.8960 |
319 | 6X8 | 0.8960 |
320 | 4ZC | 0.8958 |
321 | BUO | 0.8954 |
322 | P1R | 0.8953 |
323 | 4AX | 0.8947 |
324 | C21 | 0.8946 |
325 | NMU | 0.8945 |
326 | 4ZE | 0.8944 |
327 | NHY | 0.8943 |
328 | H76 | 0.8943 |
329 | 4VP | 0.8939 |
330 | OXQ | 0.8939 |
331 | PAE | 0.8938 |
332 | PHZ | 0.8936 |
333 | R8S | 0.8936 |
334 | C2B | 0.8935 |
335 | PCA | 0.8933 |
336 | TB6 | 0.8932 |
337 | MLM | 0.8930 |
338 | 6UA | 0.8928 |
339 | PPI | 0.8928 |
340 | GVH | 0.8927 |
341 | GIF | 0.8927 |
342 | 4JL | 0.8924 |
343 | ABU | 0.8920 |
344 | MWM | 0.8919 |
345 | AGK | 0.8916 |
346 | 4XR | 0.8912 |
347 | BRP | 0.8910 |
348 | XYS | 0.8910 |
349 | TCV | 0.8909 |
350 | FPY | 0.8908 |
351 | P3K | 0.8907 |
352 | OAA | 0.8905 |
353 | WDL | 0.8904 |
354 | NIE | 0.8902 |
355 | NAK | 0.8901 |
356 | ITU | 0.8900 |
357 | MGX | 0.8898 |
358 | FJO | 0.8897 |
359 | 3HR | 0.8896 |
360 | A1U | 0.8895 |
361 | 1DW | 0.8894 |
362 | BEN | 0.8892 |
363 | TCZ | 0.8891 |
364 | ERH | 0.8889 |
365 | 7CZ | 0.8886 |
366 | QOS | 0.8882 |
367 | BAE | 0.8882 |
368 | 5AN | 0.8882 |
369 | BZX | 0.8881 |
370 | 5ZE | 0.8881 |
371 | DFB | 0.8880 |
372 | YHO | 0.8879 |
373 | ES9 | 0.8878 |
374 | NVA | 0.8878 |
375 | NCA | 0.8874 |
376 | 5MB | 0.8873 |
377 | 7WG | 0.8873 |
378 | NTN | 0.8873 |
379 | HCS | 0.8872 |
380 | BEZ | 0.8871 |
381 | 5MI | 0.8869 |
382 | 2K4 | 0.8868 |
383 | IDM | 0.8868 |
384 | 6AI | 0.8863 |
385 | GBD | 0.8859 |
386 | HMH | 0.8857 |
387 | BTL | 0.8856 |
388 | BAM | 0.8854 |
389 | BMD | 0.8853 |
390 | 23A | 0.8851 |
391 | ETM | 0.8847 |
392 | 5H1 | 0.8846 |
393 | 27Y | 0.8845 |
394 | R3W | 0.8845 |
395 | HT4 | 0.8844 |
396 | 9YL | 0.8844 |
397 | 0R0 | 0.8840 |
398 | MZG | 0.8839 |
399 | AGU | 0.8837 |
400 | JZ9 | 0.8836 |
401 | NBZ | 0.8835 |
402 | FYU | 0.8834 |
403 | O7U | 0.8834 |
404 | ALQ | 0.8832 |
405 | PBC | 0.8831 |
406 | 14O | 0.8831 |
407 | H4N | 0.8831 |
408 | PZA | 0.8830 |
409 | NIO | 0.8830 |
410 | RIB | 0.8827 |
411 | R2B | 0.8826 |
412 | 11S | 0.8826 |
413 | F60 | 0.8822 |
414 | S0H | 0.8822 |
415 | FAN | 0.8819 |
416 | BR8 | 0.8818 |
417 | FK1 | 0.8817 |
418 | MWJ | 0.8817 |
419 | 14J | 0.8814 |
420 | IT2 | 0.8814 |
421 | HV2 | 0.8812 |
422 | MRY | 0.8810 |
423 | MAE | 0.8810 |
424 | EDG | 0.8806 |
425 | 1AB | 0.8804 |
426 | OXZ | 0.8803 |
427 | H8N | 0.8801 |
428 | VGL | 0.8799 |
429 | PRS | 0.8798 |
430 | PE9 | 0.8798 |
431 | M58 | 0.8797 |
432 | 6PC | 0.8796 |
433 | 5JC | 0.8795 |
434 | UY7 | 0.8794 |
435 | KOJ | 0.8790 |
436 | 4JM | 0.8789 |
437 | NK | 0.8788 |
438 | 3Z7 | 0.8779 |
439 | DSS | 0.8776 |
440 | JZ3 | 0.8773 |
441 | COM | 0.8772 |
442 | S76 | 0.8770 |
443 | ZZ3 | 0.8770 |
444 | 0TR | 0.8768 |
445 | CRD | 0.8764 |
446 | BUQ | 0.8764 |
447 | UNU | 0.8760 |
448 | NEQ | 0.8759 |
449 | BNS | 0.8757 |
450 | TEO | 0.8751 |
451 | HYP | 0.8748 |
452 | R8A | 0.8746 |
453 | 8GC | 0.8745 |
454 | FBA | 0.8744 |
455 | CRN | 0.8744 |
456 | XRG | 0.8737 |
457 | 5AC | 0.8737 |
458 | Y8I | 0.8734 |
459 | 1XX | 0.8732 |
460 | 60P | 0.8730 |
461 | 8H8 | 0.8729 |
462 | QSC | 0.8726 |
463 | 3SK | 0.8726 |
464 | AC0 | 0.8721 |
465 | T2C | 0.8720 |
466 | F81 | 0.8719 |
467 | 9EW | 0.8718 |
468 | SS2 | 0.8718 |
469 | 5HN | 0.8714 |
470 | GAB | 0.8712 |
471 | SAL | 0.8712 |
472 | DFU | 0.8711 |
473 | SS1 | 0.8710 |
474 | SVN | 0.8707 |
475 | LMR | 0.8705 |
476 | 3HB | 0.8704 |
477 | OVV | 0.8703 |
478 | F05 | 0.8695 |
479 | 53C | 0.8694 |
480 | PXO | 0.8693 |
481 | 3NT | 0.8691 |
482 | ES6 | 0.8689 |
483 | HMU | 0.8688 |
484 | 3U4 | 0.8687 |
485 | HLR | 0.8685 |
486 | 4SV | 0.8685 |
487 | ETX | 0.8684 |
488 | TAU | 0.8682 |
489 | IMR | 0.8681 |
490 | 6MP | 0.8681 |
491 | UGC | 0.8679 |
492 | 3AB | 0.8678 |
493 | LEA | 0.8676 |
494 | 1AC | 0.8676 |
495 | CIZ | 0.8675 |
496 | ADE | 0.8673 |
497 | BXA | 0.8673 |
498 | 717 | 0.8671 |
499 | HPA | 0.8669 |
500 | FLA | 0.8667 |
501 | FP1 | 0.8666 |
502 | HBS | 0.8660 |
503 | 9HX | 0.8654 |
504 | 9DA | 0.8652 |
505 | 3XX | 0.8652 |
506 | BE2 | 0.8649 |
507 | PM6 | 0.8647 |
508 | BP1 | 0.8642 |
509 | 6HQ | 0.8641 |
510 | CSS | 0.8640 |
511 | 1WD | 0.8640 |
512 | DPR | 0.8635 |
513 | P92 | 0.8634 |
514 | ABV | 0.8633 |
515 | 3BZ | 0.8628 |
516 | 7HP | 0.8627 |
517 | JKE | 0.8624 |
518 | 45C | 0.8623 |
519 | 6M9 | 0.8620 |
520 | FQI | 0.8617 |
521 | 270 | 0.8616 |
522 | HX3 | 0.8610 |
523 | AX7 | 0.8603 |
524 | 2MI | 0.8601 |
525 | WCE | 0.8596 |
526 | IPU | 0.8595 |
527 | F4Z | 0.8593 |
528 | DE2 | 0.8591 |
529 | 2XX | 0.8589 |
530 | 150 | 0.8583 |
531 | 10L | 0.8583 |
532 | 7WV | 0.8581 |
533 | PZO | 0.8551 |
534 | TC7 | 0.8546 |
535 | JIF | 0.8542 |
536 | 2CQ | 0.8539 |
537 | 7WA | 0.8538 |
538 | 35C | 0.8505 |
This union binding pocket(no: 1) in the query (biounit: 6y3b.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |