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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 | 5MRI | - | Q9Y | C9 H16 N4 O2 | CC(C)CCn1c.... |
2 | 5MRH | ic50 = 0.0000631 M | Q9Z | C7 H13 N3 O | CC(C)CCN1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5MRI | - | Q9Y | C9 H16 N4 O2 | CC(C)CCn1c.... |
2 | 5MRH | ic50 = 0.0000631 M | Q9Z | C7 H13 N3 O | CC(C)CCN1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | Q9Z | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XIZ | 0.9754 |
2 | 3HP | 0.9583 |
3 | PBA | 0.9569 |
4 | 4HP | 0.9566 |
5 | P80 | 0.9559 |
6 | HHH | 0.9521 |
7 | HCI | 0.9513 |
8 | PO6 | 0.9500 |
9 | AKG | 0.9471 |
10 | E4P | 0.9453 |
11 | GRO | 0.9452 |
12 | DI6 | 0.9442 |
13 | OOG | 0.9437 |
14 | HPP | 0.9435 |
15 | URO | 0.9428 |
16 | PPY | 0.9421 |
17 | J0Z | 0.9416 |
18 | PBN | 0.9406 |
19 | FK8 | 0.9394 |
20 | AEG | 0.9390 |
21 | N9J | 0.9385 |
22 | YPN | 0.9385 |
23 | AHN | 0.9376 |
24 | O45 | 0.9375 |
25 | SSB | 0.9372 |
26 | PAC | 0.9360 |
27 | NYL | 0.9351 |
28 | 3H2 | 0.9340 |
29 | GLN | 0.9334 |
30 | GLU | 0.9333 |
31 | TYE | 0.9324 |
32 | RBJ | 0.9323 |
33 | BNF | 0.9318 |
34 | AEF | 0.9317 |
35 | P7Y | 0.9317 |
36 | YRL | 0.9309 |
37 | PMF | 0.9307 |
38 | OGA | 0.9304 |
39 | FOM | 0.9291 |
40 | 7BC | 0.9286 |
41 | OTR | 0.9284 |
42 | DHY | 0.9283 |
43 | S8V | 0.9279 |
44 | LSQ | 0.9277 |
45 | SMN | 0.9274 |
46 | ISZ | 0.9271 |
47 | NFA | 0.9271 |
48 | PRA | 0.9269 |
49 | K7M | 0.9267 |
50 | PPT | 0.9266 |
51 | HF2 | 0.9255 |
52 | 8OZ | 0.9253 |
53 | 7C3 | 0.9249 |
54 | 268 | 0.9248 |
55 | A3M | 0.9247 |
56 | AG2 | 0.9241 |
57 | HIS | 0.9240 |
58 | CXP | 0.9235 |
59 | MES | 0.9233 |
60 | F90 | 0.9231 |
61 | 3YP | 0.9229 |
62 | DHI | 0.9229 |
63 | 4FA | 0.9228 |
64 | CFI | 0.9228 |
65 | BPW | 0.9224 |
66 | BHO | 0.9217 |
67 | BHH | 0.9213 |
68 | TYR | 0.9212 |
69 | SYC | 0.9211 |
70 | 6FZ | 0.9211 |
71 | 3PG | 0.9207 |
72 | QY9 | 0.9203 |
73 | ARG | 0.9201 |
74 | PHE | 0.9199 |
75 | QMP | 0.9198 |
76 | ENO | 0.9193 |
77 | ONL | 0.9192 |
78 | GWM | 0.9192 |
79 | MUC | 0.9191 |
80 | SEP | 0.9190 |
81 | 1BN | 0.9189 |
82 | 49F | 0.9189 |
83 | OHJ | 0.9186 |
84 | 5XB | 0.9184 |
85 | LYS | 0.9183 |
86 | EN1 | 0.9182 |
87 | HL4 | 0.9181 |
88 | 0L1 | 0.9180 |
89 | S0W | 0.9179 |
90 | 5XA | 0.9178 |
91 | KMH | 0.9175 |
92 | ENW | 0.9174 |
93 | 152 | 0.9173 |
94 | DPN | 0.9171 |
95 | DZA | 0.9169 |
96 | 13P | 0.9169 |
97 | MHO | 0.9167 |
98 | HIC | 0.9166 |
99 | DIR | 0.9161 |
100 | G3P | 0.9159 |
101 | HSO | 0.9156 |
102 | 1X4 | 0.9154 |
103 | TIH | 0.9151 |
104 | B40 | 0.9150 |
105 | GP9 | 0.9144 |
106 | I1E | 0.9143 |
107 | 258 | 0.9140 |
108 | 2HG | 0.9139 |
109 | HXY | 0.9137 |
110 | 2IT | 0.9137 |
111 | YIE | 0.9137 |
112 | N4B | 0.9133 |
113 | ORN | 0.9129 |
114 | R9M | 0.9126 |
115 | DHM | 0.9124 |
116 | KDG | 0.9117 |
117 | 9YT | 0.9117 |
118 | HFA | 0.9110 |
119 | P58 | 0.9107 |
120 | SPA | 0.9106 |
121 | 4TB | 0.9103 |
122 | DTY | 0.9101 |
123 | DGN | 0.9101 |
124 | 1DJ | 0.9101 |
125 | B85 | 0.9097 |
126 | DHC | 0.9097 |
127 | FEH | 0.9096 |
128 | 3OL | 0.9096 |
129 | PEL | 0.9090 |
130 | DGL | 0.9088 |
131 | HY1 | 0.9088 |
132 | 3LR | 0.9087 |
133 | 9J3 | 0.9087 |
134 | PJL | 0.9085 |
135 | LT1 | 0.9085 |
136 | RMN | 0.9084 |
137 | 3C4 | 0.9081 |
138 | 9ON | 0.9079 |
139 | 8SZ | 0.9076 |
140 | 264 | 0.9076 |
141 | 11C | 0.9076 |
142 | 650 | 0.9076 |
143 | URP | 0.9075 |
144 | B3U | 0.9075 |
145 | ACA | 0.9074 |
146 | GUA | 0.9071 |
147 | AHC | 0.9065 |
148 | PGH | 0.9059 |
149 | X1R | 0.9058 |
150 | 2BX | 0.9057 |
151 | SOR | 0.9057 |
152 | ALA ALA | 0.9056 |
153 | GGL | 0.9054 |
154 | OHP | 0.9053 |
155 | 1PS | 0.9052 |
156 | 2HC | 0.9049 |
157 | UN1 | 0.9048 |
158 | MNN | 0.9048 |
159 | YF3 | 0.9047 |
160 | GRQ | 0.9046 |
161 | LDP | 0.9045 |
162 | HGA | 0.9043 |
163 | S2G | 0.9038 |
164 | 7WG | 0.9038 |
165 | 3QO | 0.9035 |
166 | 5DL | 0.9035 |
167 | MXN | 0.9031 |
168 | TEG | 0.9031 |
169 | 3HG | 0.9028 |
170 | 64Z | 0.9027 |
171 | RP3 | 0.9026 |
172 | PRO GLY | 0.9026 |
173 | 269 | 0.9018 |
174 | HJH | 0.9016 |
175 | PEA | 0.9016 |
176 | FF3 | 0.9016 |
177 | 4BF | 0.9013 |
178 | SD4 | 0.9012 |
179 | ONH | 0.9008 |
180 | GPJ | 0.9005 |
181 | Q03 | 0.9005 |
182 | 263 | 0.9004 |
183 | F98 | 0.9004 |
184 | TZP | 0.9002 |
185 | 4FP | 0.9001 |
186 | S24 | 0.9000 |
187 | LUQ | 0.8994 |
188 | TZM | 0.8994 |
189 | F06 | 0.8990 |
190 | HG3 | 0.8990 |
191 | HPS | 0.8986 |
192 | MTL | 0.8986 |
193 | PFF | 0.8986 |
194 | M1T | 0.8983 |
195 | GLO | 0.8982 |
196 | ENV | 0.8980 |
197 | NNH | 0.8979 |
198 | XUL | 0.8978 |
199 | 2FM | 0.8977 |
200 | APG | 0.8977 |
201 | SME | 0.8977 |
202 | SYM | 0.8976 |
203 | 36M | 0.8976 |
204 | KPA | 0.8974 |
205 | CLT | 0.8972 |
206 | MEQ | 0.8971 |
207 | HBU | 0.8970 |
208 | 4LR | 0.8969 |
209 | CFA | 0.8968 |
210 | MP5 | 0.8966 |
211 | 271 | 0.8966 |
212 | DHR | 0.8965 |
213 | 2UB | 0.8961 |
214 | E79 | 0.8961 |
215 | HHI | 0.8960 |
216 | ISA | 0.8959 |
217 | Z70 | 0.8956 |
218 | GPF | 0.8954 |
219 | 3OM | 0.8954 |
220 | SOL | 0.8953 |
221 | G3H | 0.8952 |
222 | FUD | 0.8950 |
223 | N6C | 0.8949 |
224 | 3S5 | 0.8949 |
225 | HPN | 0.8945 |
226 | 9RW | 0.8942 |
227 | I4B | 0.8941 |
228 | B41 | 0.8939 |
229 | SHV | 0.8938 |
230 | R2P | 0.8934 |
231 | DYT | 0.8933 |
232 | GGB | 0.8933 |
233 | 9W5 | 0.8931 |
234 | M6H | 0.8930 |
235 | PHI | 0.8927 |
236 | NLE | 0.8927 |
237 | RB5 | 0.8926 |
238 | GLR | 0.8922 |
239 | LYN | 0.8921 |
240 | 7UC | 0.8921 |
241 | TYC | 0.8920 |
242 | 4VY | 0.8919 |
243 | MET | 0.8917 |
244 | 5RP | 0.8915 |
245 | F9P | 0.8915 |
246 | AT3 | 0.8912 |
247 | DLY | 0.8909 |
248 | GVA | 0.8906 |
249 | 56D | 0.8903 |
250 | 4TP | 0.8901 |
251 | 61M | 0.8898 |
252 | HSX | 0.8896 |
253 | UA5 | 0.8893 |
254 | DAH | 0.8891 |
255 | CEE | 0.8890 |
256 | CCE | 0.8890 |
257 | NFM | 0.8887 |
258 | IVL | 0.8885 |
259 | TPA | 0.8884 |
260 | DER | 0.8884 |
261 | CHH | 0.8879 |
262 | 5WZ | 0.8879 |
263 | 8GL | 0.8879 |
264 | CS2 | 0.8877 |
265 | TAG | 0.8876 |
266 | YOF | 0.8875 |
267 | KMT | 0.8875 |
268 | QH3 | 0.8874 |
269 | 0VT | 0.8873 |
270 | LL2 | 0.8873 |
271 | 9BF | 0.8872 |
272 | IZC | 0.8872 |
273 | 0OC | 0.8868 |
274 | CCD | 0.8867 |
275 | 3QM | 0.8865 |
276 | BRH | 0.8863 |
277 | MEV | 0.8862 |
278 | HSM | 0.8862 |
279 | RP5 | 0.8862 |
280 | 6L6 | 0.8859 |
281 | M74 | 0.8857 |
282 | OCT | 0.8857 |
283 | 14W | 0.8856 |
284 | IOP | 0.8856 |
285 | QUS | 0.8855 |
286 | REL | 0.8853 |
287 | NM3 | 0.8852 |
288 | 9GB | 0.8852 |
289 | 7OD | 0.8850 |
290 | OEG | 0.8849 |
291 | MHN | 0.8848 |
292 | 2FT | 0.8848 |
293 | DAV | 0.8847 |
294 | 4PN | 0.8845 |
295 | DXP | 0.8844 |
296 | MLZ | 0.8842 |
297 | AE3 | 0.8840 |
298 | VKC | 0.8840 |
299 | SDD | 0.8839 |
300 | Q06 | 0.8838 |
301 | 1H1 | 0.8838 |
302 | NTU | 0.8837 |
303 | LX1 | 0.8835 |
304 | XYH | 0.8834 |
305 | OJM | 0.8827 |
306 | MED | 0.8824 |
307 | KQY | 0.8822 |
308 | IP8 | 0.8821 |
309 | MVH | 0.8821 |
310 | CXF | 0.8821 |
311 | S2P | 0.8816 |
312 | LPK | 0.8815 |
313 | OSE | 0.8814 |
314 | SG3 | 0.8811 |
315 | GLL | 0.8810 |
316 | OKG | 0.8810 |
317 | HPV | 0.8809 |
318 | DEZ | 0.8805 |
319 | RTK | 0.8805 |
320 | DAL DAL | 0.8803 |
321 | KTA | 0.8802 |
322 | M45 | 0.8801 |
323 | LTL | 0.8800 |
324 | GVM | 0.8799 |
325 | RNS | 0.8799 |
326 | RBL | 0.8797 |
327 | 41K | 0.8797 |
328 | PSJ | 0.8797 |
329 | C53 | 0.8796 |
330 | FIX | 0.8793 |
331 | PC | 0.8793 |
332 | API | 0.8791 |
333 | TPO | 0.8791 |
334 | 1GP | 0.8787 |
335 | RCV | 0.8786 |
336 | 5LD | 0.8785 |
337 | 5FX | 0.8781 |
338 | IXW | 0.8780 |
339 | CUW | 0.8780 |
340 | C5A | 0.8779 |
341 | ABF | 0.8777 |
342 | PZI | 0.8777 |
343 | OCA | 0.8776 |
344 | GNW | 0.8775 |
345 | MAH | 0.8772 |
346 | XRX | 0.8770 |
347 | DXG | 0.8763 |
348 | LNO | 0.8760 |
349 | LVD | 0.8759 |
350 | LFC | 0.8753 |
351 | 8EW | 0.8753 |
352 | LLH | 0.8752 |
353 | CIR | 0.8750 |
354 | HMS | 0.8749 |
355 | PML | 0.8746 |
356 | AL0 | 0.8746 |
357 | 0A1 | 0.8745 |
358 | I38 | 0.8743 |
359 | SHI | 0.8742 |
360 | DAR | 0.8742 |
361 | MSE | 0.8737 |
362 | R5P | 0.8735 |
363 | 6NA | 0.8735 |
364 | DII | 0.8732 |
365 | ZZU | 0.8725 |
366 | 2JJ | 0.8725 |
367 | KYN | 0.8717 |
368 | RUJ | 0.8711 |
369 | LGT | 0.8709 |
370 | ILO | 0.8706 |
371 | RNT | 0.8706 |
372 | 3VW | 0.8705 |
373 | B09 | 0.8704 |
374 | IYR | 0.8701 |
375 | HWD | 0.8701 |
376 | 5OY | 0.8701 |
377 | TX4 | 0.8700 |
378 | GCO | 0.8700 |
379 | BZQ | 0.8699 |
380 | 3CR | 0.8697 |
381 | NWH | 0.8697 |
382 | 58X | 0.8694 |
383 | FOC | 0.8692 |
384 | K6V | 0.8689 |
385 | PG3 | 0.8689 |
386 | RAT | 0.8688 |
387 | 6MW | 0.8688 |
388 | GOJ | 0.8686 |
389 | JX7 | 0.8683 |
390 | PG0 | 0.8681 |
391 | 16D | 0.8671 |
392 | XYL | 0.8670 |
393 | DX5 | 0.8663 |
394 | KPC | 0.8661 |
395 | NFZ | 0.8661 |
396 | M75 | 0.8660 |
397 | NSB | 0.8660 |
398 | S7A | 0.8659 |
399 | 2D8 | 0.8656 |
400 | 4CF | 0.8654 |
401 | JZ7 | 0.8652 |
402 | XLS | 0.8640 |
403 | GLY GLY GLY | 0.8630 |
404 | JFJ | 0.8627 |
405 | IAR | 0.8626 |
406 | CLU | 0.8626 |
407 | XRS | 0.8620 |
408 | 6C9 | 0.8619 |
409 | RQD | 0.8617 |
410 | MD0 | 0.8614 |
411 | IPO | 0.8607 |
412 | ROR | 0.8599 |
413 | 5TO | 0.8591 |
414 | GRF | 0.8588 |
415 | 5PV | 0.8586 |
416 | NPI | 0.8583 |
417 | AOS | 0.8583 |
418 | JZA | 0.8579 |
419 | 3BU | 0.8569 |
420 | SBK | 0.8551 |
421 | 848 | 0.8548 |
422 | F52 | 0.8539 |
423 | 7A8 | 0.8536 |
This union binding pocket(no: 1) in the query (biounit: 5mrh.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |