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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 7 families. | |||||
1 | 3DDB | ic50 = 94.9 uM | ARG ARG ALA THR LYS MET NH2 | n/a | n/a |
2 | 2G7Q | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
3 | 5V8U | - | 90M | C12 H12 F N3 O S | Cc1c(n[nH].... |
4 | 3QJ0 | Ki = 6.3 uM | QI3 | C17 H16 Cl2 N2 O5 S | c1cc(ccc1O.... |
5 | 3NF3 | Ki = 638.1 nM | ARG ARG PHE AIB ALA MET LEU ALA | n/a | n/a |
6 | 3QIZ | Ki = 6.1 uM | QI2 | C24 H32 F2 N2 O3 | Cc1cc(ccc1.... |
7 | 6XCF | - | UZP | C16 H22 Cl2 N2 O3 | CCCCCNC(=O.... |
8 | 6XCE | - | UZM | C14 H18 Cl2 N2 O3 S | c1cc(c(cc1.... |
9 | 2IMB | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
10 | 5V8P | Ki = 10.2 uM | 90G | C11 H10 Cl N3 O S | c1cc(ccc1c.... |
11 | 2ILP | ic50 = 15 uM | GB5 | C9 H8 Cl N O2 | c1cc(ccc1C.... |
12 | 3DS9 | - | 01W ARG TRP THR DAB MET LEU GLY | n/a | n/a |
13 | 5V8R | - | 90J | C11 H10 F N3 O S | c1cc(ccc1c.... |
14 | 3C8B | Ki = 786 nM | ARG ARG GLY ILE NH2 | n/a | n/a |
15 | 3C89 | Ki = 845 nM | ARG ARG GLY MET NH2 | n/a | n/a |
16 | 3C8A | Ki = 660 nM | ARG ARG GLY LEU NH2 | n/a | n/a |
17 | 3QIY | Ki = 4.6 uM | QI1 | C18 H20 Cl2 N2 O2 | c1cc(ccc1C.... |
18 | 3C88 | Ki = 157 nM | ARG ARG GLY CYS NH2 | n/a | n/a |
19 | 2IMA | Ki = 300 nM | GB4 | C9 H7 Cl2 N O2 | c1cc(c(cc1.... |
20 | 3BOO | Ki = 1.9 uM | ACE CSO ARG ALA THR LYS MET LEU | n/a | n/a |
21 | 4HEV | Ki = 460 nM | AXM | C12 H19 N O2 | C1C2CC3CC1.... |
22 | 3DDA | ic50 = 132.9 uM | GLN ARG ALA THR LYS MET NH2 | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3DDB | ic50 = 94.9 uM | ARG ARG ALA THR LYS MET NH2 | n/a | n/a |
2 | 2G7Q | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
3 | 5V8U | - | 90M | C12 H12 F N3 O S | Cc1c(n[nH].... |
4 | 3QJ0 | Ki = 6.3 uM | QI3 | C17 H16 Cl2 N2 O5 S | c1cc(ccc1O.... |
5 | 3NF3 | Ki = 638.1 nM | ARG ARG PHE AIB ALA MET LEU ALA | n/a | n/a |
6 | 3QIZ | Ki = 6.1 uM | QI2 | C24 H32 F2 N2 O3 | Cc1cc(ccc1.... |
7 | 6XCF | - | UZP | C16 H22 Cl2 N2 O3 | CCCCCNC(=O.... |
8 | 6XCE | - | UZM | C14 H18 Cl2 N2 O3 S | c1cc(c(cc1.... |
9 | 2IMB | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
10 | 5V8P | Ki = 10.2 uM | 90G | C11 H10 Cl N3 O S | c1cc(ccc1c.... |
11 | 2ILP | ic50 = 15 uM | GB5 | C9 H8 Cl N O2 | c1cc(ccc1C.... |
12 | 3DS9 | - | 01W ARG TRP THR DAB MET LEU GLY | n/a | n/a |
13 | 5V8R | - | 90J | C11 H10 F N3 O S | c1cc(ccc1c.... |
14 | 3C8B | Ki = 786 nM | ARG ARG GLY ILE NH2 | n/a | n/a |
15 | 3C89 | Ki = 845 nM | ARG ARG GLY MET NH2 | n/a | n/a |
16 | 3C8A | Ki = 660 nM | ARG ARG GLY LEU NH2 | n/a | n/a |
17 | 3QIY | Ki = 4.6 uM | QI1 | C18 H20 Cl2 N2 O2 | c1cc(ccc1C.... |
18 | 3C88 | Ki = 157 nM | ARG ARG GLY CYS NH2 | n/a | n/a |
19 | 2IMA | Ki = 300 nM | GB4 | C9 H7 Cl2 N O2 | c1cc(c(cc1.... |
20 | 3BOO | Ki = 1.9 uM | ACE CSO ARG ALA THR LYS MET LEU | n/a | n/a |
21 | 4HEV | Ki = 460 nM | AXM | C12 H19 N O2 | C1C2CC3CC1.... |
22 | 3DDA | ic50 = 132.9 uM | GLN ARG ALA THR LYS MET NH2 | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5OO | 0.9721 |
2 | HC4 | 0.9448 |
3 | CFA | 0.9441 |
4 | 1FE | 0.9422 |
5 | HPP | 0.9365 |
6 | 2HC | 0.9359 |
7 | S0W | 0.9339 |
8 | P81 | 0.9335 |
9 | 4Z1 | 0.9316 |
10 | DHC | 0.9315 |
11 | QIV | 0.9280 |
12 | ENO | 0.9257 |
13 | TYR | 0.9252 |
14 | TOH | 0.9230 |
15 | 3SU | 0.9227 |
16 | Y3L | 0.9213 |
17 | K82 | 0.9201 |
18 | A6W | 0.9194 |
19 | 5VU | 0.9188 |
20 | AMR | 0.9172 |
21 | 92G | 0.9172 |
22 | DTY | 0.9167 |
23 | C4E | 0.9165 |
24 | 2GQ | 0.9161 |
25 | P7Y | 0.9153 |
26 | NFM | 0.9151 |
27 | 0XR | 0.9150 |
28 | PLP | 0.9143 |
29 | 6SD | 0.9142 |
30 | DAH | 0.9136 |
31 | GVY | 0.9135 |
32 | 6J5 | 0.9133 |
33 | IPO | 0.9124 |
34 | F06 | 0.9120 |
35 | P80 | 0.9119 |
36 | N9J | 0.9117 |
37 | 3IP | 0.9111 |
38 | 1BW | 0.9109 |
39 | MP5 | 0.9107 |
40 | 4FE | 0.9100 |
41 | XCG | 0.9095 |
42 | PMP | 0.9095 |
43 | TRP | 0.9090 |
44 | IOP | 0.9087 |
45 | ERZ | 0.9086 |
46 | 363 | 0.9084 |
47 | C9M | 0.9082 |
48 | 0UL | 0.9081 |
49 | TMG | 0.9080 |
50 | RSV | 0.9079 |
51 | 4BX | 0.9078 |
52 | EQW | 0.9078 |
53 | FF2 | 0.9075 |
54 | 5S9 | 0.9074 |
55 | AJ1 | 0.9072 |
56 | 0K7 | 0.9064 |
57 | 2PV | 0.9063 |
58 | S0D | 0.9059 |
59 | 1V3 | 0.9057 |
60 | 4BF | 0.9055 |
61 | F90 | 0.9055 |
62 | TCA | 0.9055 |
63 | H4B | 0.9054 |
64 | FT6 | 0.9053 |
65 | 9BF | 0.9051 |
66 | 1V4 | 0.9048 |
67 | 4HB | 0.9046 |
68 | BVS | 0.9046 |
69 | I2E | 0.9046 |
70 | PFF | 0.9043 |
71 | LR2 | 0.9040 |
72 | ZSP | 0.9037 |
73 | C82 | 0.9036 |
74 | OLU | 0.9035 |
75 | PLR | 0.9034 |
76 | 6C8 | 0.9032 |
77 | LO1 | 0.9029 |
78 | 4Z9 | 0.9029 |
79 | 4Z3 | 0.9022 |
80 | JCZ | 0.9019 |
81 | AOY | 0.9016 |
82 | B1J | 0.9015 |
83 | MMS | 0.9012 |
84 | JPQ | 0.9012 |
85 | BIO | 0.9007 |
86 | 7L4 | 0.9004 |
87 | 9JT | 0.9004 |
88 | AJG | 0.9000 |
89 | LVD | 0.8999 |
90 | OHJ | 0.8993 |
91 | TYC | 0.8991 |
92 | 833 | 0.8990 |
93 | FCW | 0.8989 |
94 | 5TO | 0.8986 |
95 | ZEA | 0.8983 |
96 | 2FX | 0.8983 |
97 | 5WN | 0.8981 |
98 | 6HP | 0.8979 |
99 | 6Q3 | 0.8977 |
100 | 2PK | 0.8973 |
101 | FMQ | 0.8973 |
102 | H75 | 0.8967 |
103 | JA5 | 0.8966 |
104 | PH3 | 0.8963 |
105 | PXP | 0.8961 |
106 | IYR | 0.8956 |
107 | H2B | 0.8955 |
108 | 4AB | 0.8954 |
109 | HCI | 0.8954 |
110 | AVX | 0.8954 |
111 | PIQ | 0.8951 |
112 | 3D8 | 0.8950 |
113 | PO6 | 0.8950 |
114 | KLS | 0.8950 |
115 | CXH | 0.8945 |
116 | 4I8 | 0.8944 |
117 | SWX | 0.8944 |
118 | KMY | 0.8943 |
119 | 0DF | 0.8939 |
120 | EE8 | 0.8938 |
121 | A5H | 0.8937 |
122 | 20D | 0.8935 |
123 | NAG | 0.8935 |
124 | GJK | 0.8932 |
125 | 109 | 0.8932 |
126 | CX4 | 0.8932 |
127 | P4L | 0.8931 |
128 | SX2 | 0.8931 |
129 | A9B | 0.8931 |
130 | 4CF | 0.8929 |
131 | BG6 | 0.8929 |
132 | F40 | 0.8927 |
133 | DFL | 0.8927 |
134 | JBZ | 0.8926 |
135 | DTR | 0.8923 |
136 | HJH | 0.8923 |
137 | XIZ | 0.8922 |
138 | 0OK | 0.8922 |
139 | 5O6 | 0.8917 |
140 | 4CN | 0.8914 |
141 | C53 | 0.8911 |
142 | 9NB | 0.8911 |
143 | A7H | 0.8907 |
144 | CBE | 0.8907 |
145 | 6P3 | 0.8907 |
146 | FER | 0.8906 |
147 | M78 | 0.8904 |
148 | X04 | 0.8903 |
149 | 1HP | 0.8903 |
150 | B41 | 0.8899 |
151 | HBI | 0.8898 |
152 | G6P | 0.8896 |
153 | 1V1 | 0.8894 |
154 | FTV | 0.8894 |
155 | NFA | 0.8893 |
156 | OQC | 0.8893 |
157 | IQW | 0.8891 |
158 | 657 | 0.8890 |
159 | 5H6 | 0.8890 |
160 | TYE | 0.8890 |
161 | ZIP | 0.8889 |
162 | F5C | 0.8889 |
163 | A7K | 0.8889 |
164 | 3ZB | 0.8888 |
165 | GO2 | 0.8887 |
166 | BQ2 | 0.8886 |
167 | FZM | 0.8886 |
168 | 2P3 | 0.8885 |
169 | PHI | 0.8885 |
170 | 397 | 0.8884 |
171 | A51 | 0.8883 |
172 | 7AP | 0.8881 |
173 | 3VX | 0.8880 |
174 | IS2 | 0.8875 |
175 | 6C9 | 0.8875 |
176 | HL4 | 0.8875 |
177 | OOG | 0.8873 |
178 | L03 | 0.8872 |
179 | A73 | 0.8872 |
180 | N7I | 0.8871 |
181 | RKV | 0.8871 |
182 | E3X | 0.8870 |
183 | SZ5 | 0.8870 |
184 | PBN | 0.8868 |
185 | BHS | 0.8866 |
186 | LZ5 | 0.8863 |
187 | 3F4 | 0.8863 |
188 | 878 | 0.8863 |
189 | NIF | 0.8861 |
190 | 6ZX | 0.8861 |
191 | GJB | 0.8861 |
192 | UAY | 0.8859 |
193 | S8P | 0.8858 |
194 | 4NR | 0.8856 |
195 | A6P | 0.8856 |
196 | 2K8 | 0.8855 |
197 | 1A7 | 0.8854 |
198 | 80G | 0.8852 |
199 | RGK | 0.8852 |
200 | S60 | 0.8852 |
201 | GO8 | 0.8850 |
202 | 0NX | 0.8849 |
203 | ZHA | 0.8841 |
204 | 6KT | 0.8841 |
205 | CPZ | 0.8840 |
206 | Q0K | 0.8840 |
207 | 8YH | 0.8840 |
208 | BGU | 0.8840 |
209 | WLH | 0.8839 |
210 | 6C5 | 0.8838 |
211 | 2LT | 0.8838 |
212 | 3H2 | 0.8836 |
213 | 68B | 0.8834 |
214 | S7S | 0.8834 |
215 | C0W | 0.8834 |
216 | 4BY | 0.8834 |
217 | N91 | 0.8832 |
218 | F18 | 0.8832 |
219 | U13 | 0.8832 |
220 | XI7 | 0.8831 |
221 | HWD | 0.8829 |
222 | TID | 0.8829 |
223 | PPY | 0.8828 |
224 | 5E5 | 0.8826 |
225 | 6N4 | 0.8825 |
226 | D1Y | 0.8823 |
227 | EUH | 0.8822 |
228 | M6P | 0.8822 |
229 | 0SY | 0.8822 |
230 | 2D2 | 0.8822 |
231 | 7EH | 0.8821 |
232 | X48 | 0.8821 |
233 | 25F | 0.8819 |
234 | KTW | 0.8819 |
235 | YIP | 0.8818 |
236 | 6MW | 0.8818 |
237 | EUE | 0.8817 |
238 | QME | 0.8817 |
239 | RVE | 0.8816 |
240 | BBY | 0.8815 |
241 | 6DQ | 0.8815 |
242 | TU0 | 0.8814 |
243 | MD6 | 0.8814 |
244 | ALE | 0.8813 |
245 | BGN | 0.8812 |
246 | 55D | 0.8810 |
247 | VM1 | 0.8810 |
248 | F4K | 0.8810 |
249 | 5NN | 0.8808 |
250 | S98 | 0.8806 |
251 | HHS | 0.8805 |
252 | 7PJ | 0.8805 |
253 | ZEC | 0.8804 |
254 | FHV | 0.8802 |
255 | 5TZ | 0.8801 |
256 | D9Z | 0.8800 |
257 | 5B2 | 0.8799 |
258 | 2WU | 0.8798 |
259 | H35 | 0.8797 |
260 | 5RP | 0.8797 |
261 | UNJ | 0.8797 |
262 | NFZ | 0.8795 |
263 | RDV | 0.8795 |
264 | 2JX | 0.8794 |
265 | KYN | 0.8794 |
266 | GZV | 0.8793 |
267 | YPN | 0.8792 |
268 | 4BL | 0.8790 |
269 | ARG | 0.8790 |
270 | ZYQ | 0.8789 |
271 | 7FU | 0.8788 |
272 | 4AF | 0.8788 |
273 | 4FC | 0.8787 |
274 | 14W | 0.8787 |
275 | A05 | 0.8787 |
276 | JSX | 0.8786 |
277 | 6FG | 0.8786 |
278 | GLP | 0.8786 |
279 | M3W | 0.8784 |
280 | 1EB | 0.8783 |
281 | ZRK | 0.8781 |
282 | 36Y | 0.8779 |
283 | ESI | 0.8779 |
284 | HXY | 0.8779 |
285 | 96Z | 0.8776 |
286 | 27K | 0.8775 |
287 | N4E | 0.8774 |
288 | STZ | 0.8774 |
289 | STT | 0.8773 |
290 | FCD | 0.8773 |
291 | 3VS | 0.8772 |
292 | E9L | 0.8771 |
293 | NK5 | 0.8771 |
294 | 50C | 0.8771 |
295 | 5V7 | 0.8769 |
296 | NAL | 0.8769 |
297 | DVK | 0.8769 |
298 | N1E | 0.8767 |
299 | PZP | 0.8766 |
300 | NPS | 0.8766 |
301 | AJD | 0.8764 |
302 | BP7 | 0.8763 |
303 | HH6 | 0.8762 |
304 | K7H | 0.8757 |
305 | SNV | 0.8756 |
306 | 2QC | 0.8756 |
307 | SYE | 0.8756 |
308 | A5E | 0.8756 |
309 | 4LW | 0.8756 |
310 | 28A | 0.8754 |
311 | BDI | 0.8754 |
312 | OJM | 0.8753 |
313 | 3GX | 0.8752 |
314 | P4T | 0.8751 |
315 | RES | 0.8749 |
316 | TZP | 0.8748 |
317 | EES | 0.8747 |
318 | K80 | 0.8743 |
319 | AP6 | 0.8743 |
320 | SJR | 0.8741 |
321 | GGB | 0.8740 |
322 | D8Q | 0.8739 |
323 | DXK | 0.8738 |
324 | ESX | 0.8738 |
325 | 5LA | 0.8732 |
326 | 0ON | 0.8732 |
327 | NKI | 0.8732 |
328 | PRL | 0.8731 |
329 | 3VQ | 0.8731 |
330 | CHQ | 0.8730 |
331 | KP2 | 0.8730 |
332 | CDJ | 0.8727 |
333 | S0A | 0.8726 |
334 | 7MW | 0.8721 |
335 | G14 | 0.8720 |
336 | MSR | 0.8720 |
337 | II4 | 0.8718 |
338 | 613 | 0.8718 |
339 | API | 0.8717 |
340 | N9M | 0.8715 |
341 | C1M | 0.8715 |
342 | 37E | 0.8714 |
343 | YE7 | 0.8713 |
344 | 6C4 | 0.8712 |
345 | IOS | 0.8711 |
346 | 5ER | 0.8710 |
347 | 61M | 0.8709 |
348 | P93 | 0.8708 |
349 | Z70 | 0.8708 |
350 | 5F5 | 0.8706 |
351 | ODK | 0.8705 |
352 | CIY | 0.8704 |
353 | 8NX | 0.8703 |
354 | 3IL | 0.8702 |
355 | VT3 | 0.8702 |
356 | YX1 | 0.8701 |
357 | AVA | 0.8701 |
358 | 7OD | 0.8700 |
359 | LSQ | 0.8699 |
360 | LL1 | 0.8696 |
361 | 78Y | 0.8695 |
362 | IAC | 0.8695 |
363 | PH2 | 0.8694 |
364 | R5P | 0.8693 |
365 | TJM | 0.8691 |
366 | RA7 | 0.8690 |
367 | 1XS | 0.8690 |
368 | HL6 | 0.8687 |
369 | B21 | 0.8685 |
370 | 5TT | 0.8685 |
371 | 7EL | 0.8684 |
372 | AOT | 0.8684 |
373 | 68A | 0.8681 |
374 | ZRL | 0.8680 |
375 | GJG | 0.8679 |
376 | SJK | 0.8675 |
377 | S0E | 0.8675 |
378 | VC3 | 0.8674 |
379 | J6W | 0.8673 |
380 | 1KN | 0.8672 |
381 | 1PS | 0.8672 |
382 | 5TY | 0.8671 |
383 | 6FB | 0.8670 |
384 | 1SF | 0.8669 |
385 | 7N8 | 0.8668 |
386 | GXD | 0.8667 |
387 | GXG | 0.8666 |
388 | 27F | 0.8666 |
389 | S7D | 0.8664 |
390 | J27 | 0.8663 |
391 | 1Q4 | 0.8660 |
392 | KWB | 0.8658 |
393 | OJD | 0.8657 |
394 | EYV | 0.8656 |
395 | 6H2 | 0.8656 |
396 | 6QT | 0.8655 |
397 | ESP | 0.8655 |
398 | HX4 | 0.8654 |
399 | 4R1 | 0.8653 |
400 | XIF XYP | 0.8652 |
401 | 272 | 0.8652 |
402 | K3D | 0.8651 |
403 | 9CE | 0.8651 |
404 | LEL | 0.8649 |
405 | SB7 | 0.8649 |
406 | SSY | 0.8648 |
407 | R52 | 0.8648 |
408 | KLE | 0.8646 |
409 | ZTW | 0.8644 |
410 | ZZA | 0.8643 |
411 | 0FR | 0.8642 |
412 | P7V | 0.8641 |
413 | 4FP | 0.8641 |
414 | 4FF | 0.8639 |
415 | 8D6 | 0.8636 |
416 | HNT | 0.8635 |
417 | J1K | 0.8632 |
418 | GT1 | 0.8630 |
419 | 4ZF | 0.8628 |
420 | Q5M | 0.8627 |
421 | E9S | 0.8624 |
422 | HPX | 0.8623 |
423 | LI7 | 0.8622 |
424 | JMG | 0.8620 |
425 | 5M2 | 0.8618 |
426 | R2P | 0.8618 |
427 | 91F | 0.8615 |
428 | 3R4 | 0.8615 |
429 | 7G0 | 0.8612 |
430 | 5F8 | 0.8612 |
431 | XYP XIF | 0.8612 |
432 | 5FL | 0.8612 |
433 | EZL | 0.8609 |
434 | JAH | 0.8608 |
435 | 1QV | 0.8607 |
436 | HSX | 0.8605 |
437 | LJ1 | 0.8604 |
438 | 3NM | 0.8602 |
439 | CX6 | 0.8601 |
440 | 3Y7 | 0.8600 |
441 | 08C | 0.8599 |
442 | 52F | 0.8597 |
443 | SNU | 0.8597 |
444 | YE6 | 0.8596 |
445 | 3WK | 0.8596 |
446 | B61 | 0.8594 |
447 | M4E | 0.8592 |
448 | NY4 | 0.8591 |
449 | A63 | 0.8589 |
450 | LJ2 | 0.8585 |
451 | YZ9 | 0.8582 |
452 | 5P3 | 0.8580 |
453 | GHQ | 0.8580 |
454 | 1UZ | 0.8578 |
455 | 1A5 | 0.8578 |
456 | WA1 | 0.8577 |
457 | 428 | 0.8577 |
458 | KWV | 0.8573 |
459 | NIY | 0.8567 |
460 | LJ3 | 0.8565 |
461 | V1T | 0.8564 |
462 | CG | 0.8559 |
463 | CTE | 0.8557 |
464 | 26C | 0.8557 |
465 | M6D | 0.8557 |
466 | 8V8 | 0.8555 |
467 | NPX | 0.8553 |
468 | D6G | 0.8552 |
469 | 1ZC | 0.8547 |
470 | MFZ | 0.8546 |
471 | O2Y | 0.8535 |
472 | 8NB | 0.8535 |
473 | 7MX | 0.8534 |
474 | THU | 0.8532 |
This union binding pocket(no: 1) in the query (biounit: 3c88.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |