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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 6CEF | ic50 = 180 uM | EYJ | C10 H9 N O2 S | c1ccc2c(c1.... |
2 | 6CE8 | ic50 = 390 uM | EYV | C9 H7 N O2 S | c1ccc2c(c1.... |
3 | 6CEC | ic50 = 45 uM | EY7 | C12 H12 N2 O3 | COc1c(nc2c.... |
4 | 6CED | Kd = 1.5 uM | EYA | C12 H12 N2 O3 | CN1C(=Nc2c.... |
5 | 6CE6 | ic50 = 5.1 uM | EYP | C14 H12 N2 O4 S2 | c1c2c(cc3c.... |
6 | 6CEA | - | EYY | C12 H11 N O2 | c1ccc2c(c1.... |
7 | 6CEE | ic50 = 65 uM | EYM | C12 H12 N2 O3 | CN1c2ccccc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 6CEF | ic50 = 180 uM | EYJ | C10 H9 N O2 S | c1ccc2c(c1.... |
2 | 6CE8 | ic50 = 390 uM | EYV | C9 H7 N O2 S | c1ccc2c(c1.... |
3 | 6CEC | ic50 = 45 uM | EY7 | C12 H12 N2 O3 | COc1c(nc2c.... |
4 | 6CED | Kd = 1.5 uM | EYA | C12 H12 N2 O3 | CN1C(=Nc2c.... |
5 | 6CE6 | ic50 = 5.1 uM | EYP | C14 H12 N2 O4 S2 | c1c2c(cc3c.... |
6 | 6CEA | - | EYY | C12 H11 N O2 | c1ccc2c(c1.... |
7 | 6CEE | ic50 = 65 uM | EYM | C12 H12 N2 O3 | CN1c2ccccc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EY7 | 0.9541 |
2 | T6Z | 0.9442 |
3 | CX4 | 0.9417 |
4 | 64C | 0.9400 |
5 | TQU | 0.9346 |
6 | 64E | 0.9293 |
7 | 6HP | 0.9242 |
8 | KED | 0.9238 |
9 | Q5M | 0.9235 |
10 | 96R | 0.9224 |
11 | 5WT | 0.9223 |
12 | 3AK | 0.9221 |
13 | D80 | 0.9217 |
14 | EV2 | 0.9215 |
15 | HA6 | 0.9202 |
16 | LP8 | 0.9188 |
17 | IOP | 0.9177 |
18 | QUB | 0.9174 |
19 | 7FF | 0.9168 |
20 | NAL | 0.9167 |
21 | F5C | 0.9165 |
22 | ZIP | 0.9162 |
23 | M9N | 0.9156 |
24 | F95 | 0.9155 |
25 | 5V5 | 0.9150 |
26 | 5V6 | 0.9150 |
27 | R4E | 0.9148 |
28 | TRP | 0.9141 |
29 | QMS | 0.9123 |
30 | 8RK | 0.9123 |
31 | M3Q | 0.9122 |
32 | ITW | 0.9121 |
33 | JHY | 0.9119 |
34 | JYK | 0.9106 |
35 | VYM | 0.9105 |
36 | 2JK | 0.9099 |
37 | NIY | 0.9092 |
38 | 34L | 0.9090 |
39 | JTF | 0.9082 |
40 | 4XY | 0.9082 |
41 | 22T | 0.9075 |
42 | 5OF | 0.9072 |
43 | IBM | 0.9071 |
44 | XG1 | 0.9067 |
45 | 5WS | 0.9062 |
46 | C09 | 0.9061 |
47 | BB4 | 0.9058 |
48 | 9F8 | 0.9057 |
49 | DTR | 0.9057 |
50 | EV3 | 0.9054 |
51 | S3P | 0.9054 |
52 | AO6 | 0.9051 |
53 | 6XC | 0.9050 |
54 | FSU | 0.9047 |
55 | NLA | 0.9045 |
56 | TXW | 0.9042 |
57 | 7I2 | 0.9039 |
58 | 7M5 | 0.9038 |
59 | 1QP | 0.9036 |
60 | 39Z | 0.9030 |
61 | 9BF | 0.9028 |
62 | EYY | 0.9021 |
63 | 5WN | 0.9021 |
64 | G6P | 0.9017 |
65 | SYE | 0.9009 |
66 | 3N4 | 0.9009 |
67 | 5V7 | 0.9008 |
68 | AC2 | 0.9008 |
69 | 774 | 0.9006 |
70 | L07 | 0.9006 |
71 | TWB | 0.9005 |
72 | 25O | 0.9001 |
73 | XJ2 | 0.8995 |
74 | FUZ | 0.8993 |
75 | SRO | 0.8992 |
76 | 78P | 0.8991 |
77 | MYI | 0.8990 |
78 | 535 | 0.8989 |
79 | NPA | 0.8988 |
80 | X0T | 0.8986 |
81 | 64F | 0.8985 |
82 | GNR | 0.8977 |
83 | ONZ | 0.8976 |
84 | XFE | 0.8968 |
85 | NWD | 0.8967 |
86 | ELH | 0.8962 |
87 | 3EB | 0.8954 |
88 | 772 | 0.8954 |
89 | 790 | 0.8952 |
90 | HBI | 0.8949 |
91 | G1P | 0.8947 |
92 | 28S | 0.8947 |
93 | EYJ | 0.8945 |
94 | EXG | 0.8938 |
95 | P9T | 0.8937 |
96 | YKG | 0.8937 |
97 | 1Q4 | 0.8931 |
98 | D87 | 0.8931 |
99 | 3D8 | 0.8930 |
100 | 7ZC | 0.8930 |
101 | PW1 | 0.8924 |
102 | CUT | 0.8924 |
103 | GTV | 0.8922 |
104 | RVE | 0.8920 |
105 | R8Y | 0.8916 |
106 | 1YE | 0.8916 |
107 | OX2 | 0.8915 |
108 | 30G | 0.8915 |
109 | IAC | 0.8914 |
110 | P83 | 0.8912 |
111 | L21 | 0.8912 |
112 | 1CE | 0.8911 |
113 | KFN | 0.8910 |
114 | JXW | 0.8908 |
115 | B23 | 0.8907 |
116 | ZME | 0.8905 |
117 | LF5 | 0.8903 |
118 | 1X8 | 0.8903 |
119 | 7SX | 0.8902 |
120 | 8WZ | 0.8900 |
121 | XEN | 0.8899 |
122 | 5WM | 0.8898 |
123 | B61 | 0.8895 |
124 | AZY | 0.8893 |
125 | BDI | 0.8887 |
126 | Z25 | 0.8886 |
127 | JAK | 0.8886 |
128 | JY2 | 0.8885 |
129 | JWW | 0.8884 |
130 | JXK | 0.8884 |
131 | 1AJ | 0.8883 |
132 | E7R | 0.8883 |
133 | 9UG | 0.8882 |
134 | 3SU | 0.8880 |
135 | VJJ | 0.8877 |
136 | 9E3 | 0.8877 |
137 | 67X | 0.8876 |
138 | ISJ | 0.8875 |
139 | YE6 | 0.8875 |
140 | 7CT | 0.8874 |
141 | JR2 | 0.8874 |
142 | VKE | 0.8873 |
143 | 8GK | 0.8872 |
144 | MQB | 0.8871 |
145 | B4L | 0.8871 |
146 | L8J | 0.8869 |
147 | 6DP | 0.8869 |
148 | I46 | 0.8867 |
149 | 96U | 0.8866 |
150 | DYZ | 0.8864 |
151 | MUX | 0.8863 |
152 | JYW | 0.8861 |
153 | FXH | 0.8858 |
154 | 55D | 0.8855 |
155 | ASE | 0.8855 |
156 | 0J2 | 0.8854 |
157 | 4R1 | 0.8853 |
158 | NPL | 0.8850 |
159 | C4E | 0.8849 |
160 | F91 | 0.8848 |
161 | PLP | 0.8846 |
162 | S0I | 0.8846 |
163 | 4KL | 0.8846 |
164 | BG6 | 0.8842 |
165 | ZYW | 0.8841 |
166 | LI7 | 0.8840 |
167 | FNA | 0.8839 |
168 | 3IL | 0.8838 |
169 | TQL | 0.8838 |
170 | ZON | 0.8838 |
171 | 536 | 0.8835 |
172 | 3IB | 0.8834 |
173 | I2E | 0.8833 |
174 | ML1 | 0.8832 |
175 | OSB | 0.8832 |
176 | C9E | 0.8830 |
177 | 0J4 | 0.8830 |
178 | 7M6 | 0.8829 |
179 | 2J9 | 0.8827 |
180 | EVO | 0.8826 |
181 | 54X | 0.8825 |
182 | EUH | 0.8824 |
183 | 0SX | 0.8824 |
184 | 9AP | 0.8821 |
185 | NAR | 0.8821 |
186 | ZEZ | 0.8821 |
187 | CSN | 0.8819 |
188 | 4Z9 | 0.8817 |
189 | AJD | 0.8812 |
190 | IPT | 0.8810 |
191 | RKY | 0.8809 |
192 | X2M | 0.8809 |
193 | 2UD | 0.8807 |
194 | KDN | 0.8804 |
195 | LDR | 0.8804 |
196 | O82 | 0.8803 |
197 | DK1 | 0.8803 |
198 | BK9 | 0.8801 |
199 | 5PX | 0.8801 |
200 | 57O | 0.8800 |
201 | HWH | 0.8799 |
202 | CR1 | 0.8794 |
203 | ET0 | 0.8794 |
204 | K68 | 0.8789 |
205 | 8Y7 | 0.8788 |
206 | XM5 | 0.8786 |
207 | 9KZ | 0.8786 |
208 | NIP | 0.8783 |
209 | IAG | 0.8782 |
210 | MNP | 0.8782 |
211 | WA2 | 0.8780 |
212 | DTE | 0.8780 |
213 | MS0 | 0.8779 |
214 | NFZ | 0.8779 |
215 | 531 | 0.8778 |
216 | 982 | 0.8773 |
217 | 32V | 0.8767 |
218 | M5H | 0.8766 |
219 | CG8 | 0.8766 |
220 | TSR | 0.8763 |
221 | 4B0 | 0.8763 |
222 | KOM | 0.8763 |
223 | 3TV | 0.8761 |
224 | 7MX | 0.8760 |
225 | FUJ | 0.8759 |
226 | GRX | 0.8757 |
227 | FCW | 0.8754 |
228 | 6J9 | 0.8751 |
229 | CMG | 0.8745 |
230 | QTS | 0.8742 |
231 | MUR | 0.8741 |
232 | APS | 0.8741 |
233 | YO5 | 0.8740 |
234 | I6G | 0.8740 |
235 | 5WU | 0.8738 |
236 | BIE | 0.8738 |
237 | IOS | 0.8737 |
238 | FWB | 0.8736 |
239 | 5O5 | 0.8736 |
240 | 1U7 | 0.8733 |
241 | 108 | 0.8733 |
242 | 2T4 | 0.8730 |
243 | 2SX | 0.8728 |
244 | AOJ | 0.8725 |
245 | 226 | 0.8724 |
246 | 2KU | 0.8724 |
247 | ALR | 0.8722 |
248 | CPW | 0.8722 |
249 | NVU | 0.8722 |
250 | LIP | 0.8720 |
251 | NBG | 0.8719 |
252 | X04 | 0.8716 |
253 | CGW | 0.8708 |
254 | C8O | 0.8708 |
255 | LNN | 0.8703 |
256 | D1G | 0.8701 |
257 | MBP | 0.8701 |
258 | 29B | 0.8700 |
259 | MPP | 0.8698 |
260 | 60L | 0.8698 |
261 | B0K | 0.8698 |
262 | A0O | 0.8697 |
263 | II4 | 0.8696 |
264 | GG5 | 0.8691 |
265 | BC3 | 0.8691 |
266 | H2B | 0.8686 |
267 | 3Y7 | 0.8686 |
268 | 22L | 0.8683 |
269 | KWB | 0.8681 |
270 | JXT | 0.8680 |
271 | 9UL | 0.8679 |
272 | GSY | 0.8676 |
273 | 0GA | 0.8674 |
274 | S7P | 0.8674 |
275 | ZYV | 0.8672 |
276 | 8DA | 0.8672 |
277 | 3D1 | 0.8671 |
278 | UFO | 0.8671 |
279 | A1Y | 0.8669 |
280 | 7AP | 0.8668 |
281 | 3NM | 0.8667 |
282 | PVK | 0.8667 |
283 | MDR | 0.8663 |
284 | 0H5 | 0.8662 |
285 | JYT | 0.8661 |
286 | YM6 | 0.8661 |
287 | PXP | 0.8660 |
288 | 14W | 0.8658 |
289 | 74Z | 0.8657 |
290 | HLP | 0.8657 |
291 | F52 | 0.8654 |
292 | 9X5 | 0.8654 |
293 | 5OU | 0.8652 |
294 | MPU | 0.8651 |
295 | 0Q2 | 0.8645 |
296 | SBK | 0.8645 |
297 | ETV | 0.8643 |
298 | PVQ | 0.8642 |
299 | 2N0 | 0.8642 |
300 | AVR | 0.8641 |
301 | LL1 | 0.8641 |
302 | JAA | 0.8640 |
303 | CHQ | 0.8636 |
304 | THM | 0.8636 |
305 | 7Z9 | 0.8636 |
306 | QIF | 0.8636 |
307 | CRB | 0.8635 |
308 | B52 | 0.8635 |
309 | B4O | 0.8633 |
310 | 3B4 | 0.8633 |
311 | OUB | 0.8632 |
312 | CFA | 0.8628 |
313 | JYE | 0.8623 |
314 | MYT | 0.8618 |
315 | 4VT | 0.8617 |
316 | DE7 | 0.8616 |
317 | NBV | 0.8615 |
318 | 5JT | 0.8612 |
319 | MN QAY | 0.8611 |
320 | 327 | 0.8611 |
321 | EXL | 0.8610 |
322 | 61M | 0.8608 |
323 | 6VD | 0.8607 |
324 | 27K | 0.8603 |
325 | FWD | 0.8597 |
326 | AKD | 0.8594 |
327 | I4D | 0.8592 |
328 | ER6 | 0.8591 |
329 | LLT | 0.8586 |
330 | XY2 | 0.8586 |
331 | B5A | 0.8586 |
332 | I59 | 0.8585 |
333 | 8HG | 0.8584 |
334 | ML2 | 0.8583 |
335 | ARP | 0.8579 |
336 | GA2 | 0.8572 |
337 | MEX | 0.8561 |
338 | GO8 | 0.8560 |
339 | O2Y | 0.8560 |
340 | 3D3 | 0.8560 |
341 | OKM | 0.8553 |
342 | 4VS | 0.8545 |
343 | 0LH | 0.8545 |
344 | GI4 | 0.8542 |
345 | 2H4 | 0.8540 |
346 | 56N | 0.8539 |
347 | BGP | 0.8533 |
348 | T34 | 0.8523 |
This union binding pocket(no: 1) in the query (biounit: 6ced.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |