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- Structure Biounit | Ligand Information
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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 | 0.9620 |
2 | T6Z | 0.9430 |
3 | 64C | 0.9407 |
4 | TQU | 0.9387 |
5 | CX4 | 0.9357 |
6 | 3AK | 0.9290 |
7 | 64E | 0.9280 |
8 | 96R | 0.9240 |
9 | 3N4 | 0.9235 |
10 | 6HP | 0.9235 |
11 | EV2 | 0.9230 |
12 | Q5M | 0.9228 |
13 | D80 | 0.9227 |
14 | 5OF | 0.9226 |
15 | F5C | 0.9225 |
16 | VYM | 0.9219 |
17 | HWH | 0.9215 |
18 | F95 | 0.9212 |
19 | 7FF | 0.9193 |
20 | KED | 0.9191 |
21 | ITW | 0.9188 |
22 | G6P | 0.9184 |
23 | TRP | 0.9182 |
24 | JYK | 0.9178 |
25 | RVE | 0.9151 |
26 | ASE | 0.9148 |
27 | M3Q | 0.9139 |
28 | AO6 | 0.9129 |
29 | 28S | 0.9126 |
30 | 34L | 0.9124 |
31 | R6T | 0.9124 |
32 | 39Z | 0.9121 |
33 | R4E | 0.9119 |
34 | QMS | 0.9118 |
35 | JTF | 0.9107 |
36 | NLA | 0.9105 |
37 | IBM | 0.9105 |
38 | LP8 | 0.9103 |
39 | 9BF | 0.9094 |
40 | EV3 | 0.9091 |
41 | DTR | 0.9087 |
42 | 96Z | 0.9082 |
43 | 2JK | 0.9079 |
44 | 1QP | 0.9066 |
45 | NIY | 0.9063 |
46 | 4XY | 0.9055 |
47 | S3P | 0.9055 |
48 | 5WN | 0.9054 |
49 | M9N | 0.9048 |
50 | 7I2 | 0.9045 |
51 | MYI | 0.9029 |
52 | EYY | 0.9029 |
53 | IOP | 0.9028 |
54 | TXW | 0.9027 |
55 | DNC | 0.9025 |
56 | CSN | 0.9021 |
57 | HA6 | 0.9018 |
58 | 790 | 0.9017 |
59 | 774 | 0.9017 |
60 | 9F8 | 0.9017 |
61 | 25O | 0.9017 |
62 | 6XC | 0.9015 |
63 | X0T | 0.9014 |
64 | 5WS | 0.9007 |
65 | 3EB | 0.9000 |
66 | BB4 | 0.8998 |
67 | JYW | 0.8998 |
68 | P83 | 0.8996 |
69 | NPA | 0.8992 |
70 | XFE | 0.8992 |
71 | NWD | 0.8991 |
72 | MQB | 0.8991 |
73 | SRO | 0.8989 |
74 | ML1 | 0.8989 |
75 | ONZ | 0.8988 |
76 | 582 | 0.8987 |
77 | JY2 | 0.8987 |
78 | OSB | 0.8985 |
79 | 772 | 0.8985 |
80 | FSU | 0.8985 |
81 | EXR | 0.8985 |
82 | YKG | 0.8984 |
83 | 5V7 | 0.8980 |
84 | 1YE | 0.8979 |
85 | FXH | 0.8978 |
86 | XG1 | 0.8971 |
87 | 5V6 | 0.8965 |
88 | ELH | 0.8962 |
89 | 64F | 0.8961 |
90 | 0H5 | 0.8960 |
91 | B23 | 0.8960 |
92 | TWB | 0.8958 |
93 | ZIP | 0.8956 |
94 | 535 | 0.8954 |
95 | VKE | 0.8953 |
96 | EXG | 0.8952 |
97 | PW1 | 0.8946 |
98 | 30G | 0.8946 |
99 | FLV | 0.8944 |
100 | G1P | 0.8942 |
101 | ZME | 0.8942 |
102 | AC2 | 0.8940 |
103 | 5WM | 0.8939 |
104 | 5V5 | 0.8937 |
105 | 9UG | 0.8936 |
106 | IAC | 0.8935 |
107 | 5VJ | 0.8934 |
108 | JXK | 0.8933 |
109 | 7ZC | 0.8932 |
110 | 1X8 | 0.8931 |
111 | AJD | 0.8928 |
112 | KFN | 0.8927 |
113 | ET0 | 0.8925 |
114 | JXW | 0.8922 |
115 | JR2 | 0.8917 |
116 | 28N | 0.8916 |
117 | JWW | 0.8915 |
118 | 2UD | 0.8910 |
119 | 67X | 0.8910 |
120 | P9T | 0.8909 |
121 | 4R1 | 0.8907 |
122 | JAK | 0.8906 |
123 | 55D | 0.8904 |
124 | XEN | 0.8903 |
125 | A0O | 0.8902 |
126 | BG6 | 0.8901 |
127 | ISJ | 0.8901 |
128 | 78P | 0.8899 |
129 | EVO | 0.8898 |
130 | JHY | 0.8897 |
131 | R8Y | 0.8897 |
132 | 8GK | 0.8897 |
133 | 8WZ | 0.8896 |
134 | C9E | 0.8893 |
135 | 96U | 0.8893 |
136 | KOM | 0.8893 |
137 | GTV | 0.8892 |
138 | 6DP | 0.8891 |
139 | 8RK | 0.8889 |
140 | 9E3 | 0.8885 |
141 | 2LY | 0.8884 |
142 | TSR | 0.8883 |
143 | CG8 | 0.8882 |
144 | B61 | 0.8881 |
145 | B4L | 0.8881 |
146 | 7MX | 0.8880 |
147 | LI7 | 0.8876 |
148 | BDI | 0.8876 |
149 | 4KL | 0.8872 |
150 | F91 | 0.8872 |
151 | 4Z9 | 0.8870 |
152 | H7S | 0.8870 |
153 | DYZ | 0.8870 |
154 | ZYW | 0.8870 |
155 | 9AP | 0.8869 |
156 | 7SX | 0.8865 |
157 | CGW | 0.8864 |
158 | 8XQ | 0.8859 |
159 | CPW | 0.8858 |
160 | 982 | 0.8853 |
161 | BA5 | 0.8853 |
162 | I46 | 0.8853 |
163 | 3SU | 0.8852 |
164 | 108 | 0.8851 |
165 | W8G | 0.8851 |
166 | GRX | 0.8848 |
167 | JYT | 0.8844 |
168 | 1Q4 | 0.8844 |
169 | 8XL | 0.8842 |
170 | BK9 | 0.8842 |
171 | LZ2 | 0.8838 |
172 | JYE | 0.8838 |
173 | 54X | 0.8837 |
174 | LDR | 0.8837 |
175 | OX2 | 0.8837 |
176 | 2J9 | 0.8836 |
177 | AVR | 0.8836 |
178 | 536 | 0.8831 |
179 | NVU | 0.8831 |
180 | E7R | 0.8831 |
181 | 2SX | 0.8830 |
182 | I2E | 0.8830 |
183 | D87 | 0.8829 |
184 | ZYV | 0.8828 |
185 | 7M6 | 0.8828 |
186 | ZON | 0.8827 |
187 | 5PX | 0.8826 |
188 | KDN | 0.8825 |
189 | T28 | 0.8825 |
190 | NAL | 0.8823 |
191 | 3IB | 0.8822 |
192 | NPL | 0.8821 |
193 | 57O | 0.8821 |
194 | NIP | 0.8820 |
195 | NBV | 0.8820 |
196 | MUX | 0.8818 |
197 | L8J | 0.8815 |
198 | OUB | 0.8813 |
199 | PVK | 0.8813 |
200 | PVQ | 0.8810 |
201 | 6BL | 0.8810 |
202 | SYE | 0.8808 |
203 | XM5 | 0.8807 |
204 | PLP | 0.8804 |
205 | I6G | 0.8803 |
206 | IPT | 0.8803 |
207 | SBK | 0.8802 |
208 | 531 | 0.8801 |
209 | MNP | 0.8800 |
210 | 226 | 0.8799 |
211 | DK1 | 0.8799 |
212 | JXT | 0.8795 |
213 | FUJ | 0.8794 |
214 | 2KU | 0.8792 |
215 | DTE | 0.8792 |
216 | AZY | 0.8787 |
217 | FWB | 0.8784 |
218 | GNR | 0.8783 |
219 | FNA | 0.8782 |
220 | HBI | 0.8779 |
221 | M5H | 0.8777 |
222 | QTS | 0.8777 |
223 | 3TV | 0.8774 |
224 | 3B4 | 0.8774 |
225 | K68 | 0.8773 |
226 | BIE | 0.8773 |
227 | 11G | 0.8773 |
228 | 6J9 | 0.8770 |
229 | 3D8 | 0.8767 |
230 | YM6 | 0.8767 |
231 | GSY | 0.8765 |
232 | YO5 | 0.8764 |
233 | 5WU | 0.8762 |
234 | MUR | 0.8759 |
235 | IAG | 0.8758 |
236 | 2T4 | 0.8756 |
237 | X8D | 0.8756 |
238 | C09 | 0.8755 |
239 | GNV | 0.8753 |
240 | 7AP | 0.8753 |
241 | 8DA | 0.8750 |
242 | MS0 | 0.8749 |
243 | X2M | 0.8748 |
244 | LIP | 0.8747 |
245 | AOJ | 0.8747 |
246 | LF5 | 0.8746 |
247 | CR1 | 0.8744 |
248 | PMP | 0.8737 |
249 | NBG | 0.8737 |
250 | IOS | 0.8737 |
251 | MHK | 0.8734 |
252 | 1U7 | 0.8733 |
253 | 29B | 0.8731 |
254 | C4E | 0.8729 |
255 | L21 | 0.8727 |
256 | II4 | 0.8723 |
257 | ETV | 0.8721 |
258 | 5JT | 0.8721 |
259 | 4B0 | 0.8721 |
260 | EGR | 0.8721 |
261 | 35K | 0.8720 |
262 | S7P | 0.8718 |
263 | YIH | 0.8718 |
264 | 32V | 0.8716 |
265 | WA2 | 0.8713 |
266 | KWB | 0.8712 |
267 | 5NS | 0.8710 |
268 | CRB | 0.8708 |
269 | 1CE | 0.8707 |
270 | F52 | 0.8705 |
271 | 9X5 | 0.8700 |
272 | FWD | 0.8699 |
273 | 9UL | 0.8698 |
274 | X04 | 0.8695 |
275 | NFZ | 0.8694 |
276 | I7A | 0.8690 |
277 | 3Y7 | 0.8685 |
278 | C8O | 0.8683 |
279 | 22L | 0.8680 |
280 | 2N0 | 0.8679 |
281 | EUH | 0.8678 |
282 | A1Y | 0.8677 |
283 | THM | 0.8675 |
284 | CFA | 0.8674 |
285 | ALR | 0.8672 |
286 | 61M | 0.8670 |
287 | D1G | 0.8668 |
288 | LL1 | 0.8667 |
289 | 14W | 0.8666 |
290 | 5O5 | 0.8664 |
291 | 3D1 | 0.8663 |
292 | GG5 | 0.8662 |
293 | 8Y7 | 0.8654 |
294 | BC3 | 0.8653 |
295 | LLT | 0.8652 |
296 | 27K | 0.8652 |
297 | JAA | 0.8651 |
298 | TRF | 0.8648 |
299 | UN4 | 0.8648 |
300 | MDR | 0.8648 |
301 | 4VT | 0.8648 |
302 | MPU | 0.8647 |
303 | B4O | 0.8647 |
304 | EXL | 0.8644 |
305 | EYJ | 0.8640 |
306 | 8HG | 0.8637 |
307 | 7Z9 | 0.8634 |
308 | I4D | 0.8632 |
309 | MPP | 0.8629 |
310 | NCV | 0.8628 |
311 | 3IL | 0.8625 |
312 | TDH | 0.8625 |
313 | 60L | 0.8624 |
314 | TLG | 0.8622 |
315 | GPM | 0.8621 |
316 | 0DN | 0.8621 |
317 | 5OU | 0.8621 |
318 | FCW | 0.8617 |
319 | 5AD | 0.8614 |
320 | MYT | 0.8612 |
321 | 5KN | 0.8612 |
322 | I59 | 0.8609 |
323 | MN QAY | 0.8607 |
324 | 0Q2 | 0.8605 |
325 | KDM | 0.8602 |
326 | B5A | 0.8602 |
327 | B86 | 0.8602 |
328 | 3NM | 0.8600 |
329 | 49N | 0.8596 |
330 | ML2 | 0.8594 |
331 | 4ME | 0.8590 |
332 | GA2 | 0.8588 |
333 | A4G | 0.8585 |
334 | 56N | 0.8583 |
335 | 3D3 | 0.8580 |
336 | 0QV | 0.8579 |
337 | CCV | 0.8577 |
338 | MCY | 0.8571 |
339 | 0LH | 0.8571 |
340 | 3GC | 0.8562 |
341 | LNN | 0.8557 |
342 | 4VS | 0.8549 |
343 | SBI | 0.8541 |
344 | ER6 | 0.8539 |
345 | OKM | 0.8534 |
346 | B52 | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 6ced.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |