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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 4 families. | |||||
1 | 6BU1 | ic50 = 0.06 uM | E9S | C10 H7 Br O5 | c1cc(c(c(c.... |
2 | 5C9W | - | 4Z3 | C8 H7 Br N2 O2 | c1ccc(c(c1.... |
3 | 6C8P | ic50 = 0.2 uM | EQA | C10 H7 F O4 | c1ccc(c(c1.... |
4 | 5DRC | - | 5ER | C12 H9 N O4 | c1ccc2c(c1.... |
5 | 5DX7 | - | 5H6 | C8 H4 Cl N O3 S | c1cc(sc1c2.... |
6 | 5ECV | - | 5M2 | C13 H11 N O4 | Cc1c2cc[nH.... |
7 | 5CBB | - | 4ZF | C12 H9 N3 O2 | c1ccc2c(c1.... |
8 | 5C7V | - | PYC | C5 H4 N O2 | c1cc([nH]c.... |
9 | 6C7B | ic50 = 1.5 uM | ENY | C15 H12 O5 | COc1ccc2cc.... |
10 | 5CEW | - | 6MW | C9 H10 N2 O2 S | c1cnccc1[C.... |
11 | 5CAK | - | 4Z9 | C11 H11 N O3 | c1ccc2c(c1.... |
12 | 6ASU | ic50 = 6.1 uM | BVS | C11 H10 O4 | Cc1ccc(cc1.... |
13 | 6AU9 | ic50 = 1.1 uM | BXS | C12 H10 O6 | c1cc2c(cc1.... |
14 | 5CJM | - | 4WL | C7 H5 N O2 S | c1csc2c1[n.... |
15 | 6DL9 | ic50 = 1 uM | GXD | C10 H6 Cl2 O4 | c1cc(c(c(c.... |
16 | 5T8G | - | 4Z0 | C9 H6 O5 S | c1cc(sc1)C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 6BU1 | ic50 = 0.06 uM | E9S | C10 H7 Br O5 | c1cc(c(c(c.... |
2 | 5C9W | - | 4Z3 | C8 H7 Br N2 O2 | c1ccc(c(c1.... |
3 | 6C8P | ic50 = 0.2 uM | EQA | C10 H7 F O4 | c1ccc(c(c1.... |
4 | 5DRC | - | 5ER | C12 H9 N O4 | c1ccc2c(c1.... |
5 | 5DX7 | - | 5H6 | C8 H4 Cl N O3 S | c1cc(sc1c2.... |
6 | 5ECV | - | 5M2 | C13 H11 N O4 | Cc1c2cc[nH.... |
7 | 5CBB | - | 4ZF | C12 H9 N3 O2 | c1ccc2c(c1.... |
8 | 5C7V | - | PYC | C5 H4 N O2 | c1cc([nH]c.... |
9 | 2GQ3 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
10 | 5E9X | - | 5LA | C7 H4 Cl N O2 S | c1c2cc(sc2.... |
11 | 5C9U | - | 4Z1 | C8 H6 Cl2 N2 O3 | c1cc(c(cc1.... |
12 | 6BA7 | ic50 = 0.007 uM | D1Y | C10 H7 Cl O5 | c1cc(c(cc1.... |
13 | 5CBI | - | 4ZC | C7 H4 Cl N O | c1cc(c(cc1.... |
14 | 1N8I | - | GLV | C2 H2 O3 | C(=O)C(=O).... |
15 | 5C9R | - | 4YZ | C9 H9 Cl O2 S | c1cc(ccc1S.... |
16 | 5CBJ | - | 4ZD | C9 H8 O2 S | c1ccc(cc1).... |
17 | 5CAH | - | 4ZA | C7 H5 N O2 S | c1csc2c1cc.... |
18 | 5C9X | - | 4Z4 | C7 H3 Cl2 F O2 | c1c(c(cc(c.... |
19 | 6AS6 | ic50 = 15.2 uM | BSV | C14 H14 O4 | Cc1ccc(cc1.... |
20 | 5CJN | - | 52F | C11 H10 N2 O3 | c1ccc2c(c1.... |
21 | 6DNP | ic50 = 6.6 uM | GZV | C11 H8 F2 O4 | Cc1ccc(c(c.... |
22 | 5CCZ | - | 50C | C10 H10 F N3 | Cc1c(n[nH].... |
23 | 6DKO | ic50 = 1.6 uM | GXG | C10 H6 F2 O4 | c1cc(c(c(c.... |
24 | 6C6O | ic50 = 0.005 uM | ENG | C10 H7 Br O5 | c1cc(c(cc1.... |
25 | 6APZ | ic50 = 0.15 uM | BQ4 | C10 H8 O5 | c1cc(cc(c1.... |
26 | 6AXB | ic50 = 0.5 uM | C0V | C14 H10 O4 | c1ccc2cc(c.... |
27 | 6C7B | ic50 = 1.5 uM | ENY | C15 H12 O5 | COc1ccc2cc.... |
28 | 5CEW | - | 6MW | C9 H10 N2 O2 S | c1cnccc1[C.... |
29 | 5CAK | - | 4Z9 | C11 H11 N O3 | c1ccc2c(c1.... |
30 | 6ASU | ic50 = 6.1 uM | BVS | C11 H10 O4 | Cc1ccc(cc1.... |
31 | 6AU9 | ic50 = 1.1 uM | BXS | C12 H10 O6 | c1cc2c(cc1.... |
32 | 5CJM | - | 4WL | C7 H5 N O2 S | c1csc2c1[n.... |
33 | 6DL9 | ic50 = 1 uM | GXD | C10 H6 Cl2 O4 | c1cc(c(c(c.... |
34 | 5T8G | - | 4Z0 | C9 H6 O5 S | c1cc(sc1)C.... |
35 | 1D8C | - | SOR | C6 H14 O6 | C([C@@H]([.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5M2 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5ER | 0.9426 |
2 | D1Y | 0.9374 |
3 | C0V | 0.9341 |
4 | E9S | 0.9333 |
5 | BXS | 0.9333 |
6 | SJK | 0.9303 |
7 | ESJ | 0.9265 |
8 | JVD | 0.9248 |
9 | WG8 | 0.9246 |
10 | BVS | 0.9241 |
11 | 0OK | 0.9233 |
12 | GZV | 0.9221 |
13 | KU1 | 0.9186 |
14 | FNT | 0.9152 |
15 | UN9 | 0.9138 |
16 | Q2S | 0.9138 |
17 | AVX | 0.9137 |
18 | 6DQ | 0.9114 |
19 | 4FC | 0.9091 |
20 | TYP | 0.9086 |
21 | PMM | 0.9084 |
22 | QME | 0.9077 |
23 | 3L1 | 0.9076 |
24 | WDW | 0.9063 |
25 | E6Q | 0.9061 |
26 | 5VU | 0.9060 |
27 | H4B | 0.9052 |
28 | RSV | 0.9037 |
29 | 00G | 0.9036 |
30 | 47X | 0.9034 |
31 | PLP | 0.9029 |
32 | ZEA | 0.9027 |
33 | B5A | 0.9025 |
34 | 4CN | 0.9015 |
35 | BMC | 0.9014 |
36 | WCU | 0.9012 |
37 | JSX | 0.9007 |
38 | 6QT | 0.9004 |
39 | 7EH | 0.9004 |
40 | 0DF | 0.9000 |
41 | EQA | 0.9000 |
42 | 1HP | 0.8997 |
43 | 3G3 | 0.8996 |
44 | 35K | 0.8995 |
45 | TVC | 0.8991 |
46 | 68C | 0.8989 |
47 | OLU | 0.8988 |
48 | S1D | 0.8986 |
49 | 109 | 0.8982 |
50 | EAT | 0.8981 |
51 | A05 | 0.8981 |
52 | D64 | 0.8978 |
53 | 9JT | 0.8974 |
54 | Q92 | 0.8973 |
55 | FCW | 0.8967 |
56 | GF7 | 0.8967 |
57 | 2QV | 0.8965 |
58 | RPN | 0.8963 |
59 | ALJ | 0.8955 |
60 | 8EU | 0.8954 |
61 | DX6 | 0.8954 |
62 | STV | 0.8952 |
63 | 6H2 | 0.8949 |
64 | NOC | 0.8948 |
65 | ARJ | 0.8948 |
66 | ENG | 0.8948 |
67 | H2B | 0.8946 |
68 | HBI | 0.8943 |
69 | MQR | 0.8942 |
70 | J1K | 0.8942 |
71 | 1AJ | 0.8939 |
72 | 833 | 0.8935 |
73 | 5WK | 0.8935 |
74 | Z3R | 0.8934 |
75 | GXD | 0.8931 |
76 | 9KZ | 0.8930 |
77 | 5CK | 0.8929 |
78 | LIG | 0.8929 |
79 | 2L1 | 0.8922 |
80 | 6P3 | 0.8922 |
81 | QNM | 0.8920 |
82 | 7L4 | 0.8920 |
83 | 0UL | 0.8919 |
84 | VBC | 0.8918 |
85 | AQN | 0.8915 |
86 | 3WN | 0.8908 |
87 | 3WO | 0.8908 |
88 | 1V4 | 0.8905 |
89 | 2JX | 0.8900 |
90 | EES | 0.8897 |
91 | CHQ | 0.8894 |
92 | RKY | 0.8894 |
93 | SCE | 0.8894 |
94 | PRL | 0.8893 |
95 | 4AU | 0.8887 |
96 | 22T | 0.8884 |
97 | B2E | 0.8883 |
98 | 0HY | 0.8881 |
99 | NAL | 0.8878 |
100 | GXG | 0.8876 |
101 | 5R9 | 0.8875 |
102 | GJG | 0.8874 |
103 | 1SF | 0.8874 |
104 | L2K | 0.8872 |
105 | AP6 | 0.8868 |
106 | C4E | 0.8867 |
107 | T21 | 0.8866 |
108 | EMU | 0.8865 |
109 | S0D | 0.8864 |
110 | H0V | 0.8862 |
111 | 5S9 | 0.8861 |
112 | 848 | 0.8860 |
113 | Q0K | 0.8859 |
114 | GEN | 0.8858 |
115 | WV7 | 0.8856 |
116 | I2E | 0.8854 |
117 | 7ZO | 0.8851 |
118 | 9ME | 0.8850 |
119 | BIO | 0.8850 |
120 | 1FL | 0.8848 |
121 | CBE | 0.8845 |
122 | 2QU | 0.8843 |
123 | 5CQ | 0.8841 |
124 | F91 | 0.8840 |
125 | NEO | 0.8839 |
126 | F40 | 0.8839 |
127 | XDL XYP | 0.8839 |
128 | Z25 | 0.8838 |
129 | TID | 0.8838 |
130 | U4J | 0.8838 |
131 | S0A | 0.8837 |
132 | BZM | 0.8829 |
133 | TRP | 0.8828 |
134 | 1V3 | 0.8825 |
135 | CG | 0.8825 |
136 | TVZ | 0.8825 |
137 | 0X2 | 0.8823 |
138 | 2L2 | 0.8823 |
139 | H75 | 0.8822 |
140 | G1L | 0.8822 |
141 | 856 | 0.8822 |
142 | 7FZ | 0.8821 |
143 | 4AB | 0.8821 |
144 | KW7 | 0.8821 |
145 | 1Q4 | 0.8821 |
146 | 4AF | 0.8820 |
147 | LR2 | 0.8820 |
148 | KTM | 0.8818 |
149 | G30 | 0.8818 |
150 | 4BX | 0.8816 |
151 | HA6 | 0.8816 |
152 | 3F4 | 0.8815 |
153 | MT6 | 0.8814 |
154 | PIQ | 0.8814 |
155 | 0K7 | 0.8812 |
156 | DX2 | 0.8808 |
157 | ZW2 | 0.8805 |
158 | SZ5 | 0.8804 |
159 | 4Z1 | 0.8802 |
160 | 4ZF | 0.8801 |
161 | GJB | 0.8799 |
162 | D9Z | 0.8799 |
163 | A45 | 0.8795 |
164 | DFL | 0.8794 |
165 | RGK | 0.8793 |
166 | 7PS | 0.8792 |
167 | XYS XYS | 0.8792 |
168 | JCZ | 0.8791 |
169 | 20D | 0.8790 |
170 | HH6 | 0.8789 |
171 | YX1 | 0.8788 |
172 | 4UM | 0.8788 |
173 | STZ | 0.8788 |
174 | 5O6 | 0.8788 |
175 | 4HG | 0.8787 |
176 | H35 | 0.8786 |
177 | LWA | 0.8786 |
178 | G2V | 0.8786 |
179 | D25 | 0.8786 |
180 | NEU | 0.8780 |
181 | 1EB | 0.8779 |
182 | 1R5 | 0.8778 |
183 | TPM | 0.8778 |
184 | 6BK | 0.8777 |
185 | 4JV | 0.8772 |
186 | 1BW | 0.8771 |
187 | NYJ | 0.8770 |
188 | 6WR | 0.8769 |
189 | 3WL | 0.8767 |
190 | FT6 | 0.8766 |
191 | 2GQ | 0.8765 |
192 | D26 | 0.8764 |
193 | B15 | 0.8764 |
194 | M3W | 0.8762 |
195 | 397 | 0.8761 |
196 | EYY | 0.8758 |
197 | 25F | 0.8758 |
198 | BGN | 0.8757 |
199 | 0SY | 0.8754 |
200 | P4T | 0.8753 |
201 | NPX | 0.8750 |
202 | CTE | 0.8748 |
203 | NFZ | 0.8743 |
204 | Q4G | 0.8743 |
205 | A8D | 0.8742 |
206 | 1XS | 0.8741 |
207 | 97K | 0.8740 |
208 | PE2 | 0.8740 |
209 | MPU | 0.8738 |
210 | 4L2 | 0.8736 |
211 | DBS | 0.8736 |
212 | XIL | 0.8735 |
213 | JOE | 0.8734 |
214 | AJG | 0.8734 |
215 | 2P3 | 0.8733 |
216 | CX6 | 0.8732 |
217 | VT3 | 0.8731 |
218 | AV4 | 0.8731 |
219 | 2AX | 0.8730 |
220 | 92O | 0.8729 |
221 | 0HZ | 0.8728 |
222 | 1V1 | 0.8728 |
223 | A9B | 0.8727 |
224 | 1OT | 0.8726 |
225 | QUG | 0.8725 |
226 | 272 | 0.8724 |
227 | 801 | 0.8718 |
228 | 52F | 0.8718 |
229 | PNX | 0.8717 |
230 | 6SD | 0.8717 |
231 | YE7 | 0.8715 |
232 | A73 | 0.8713 |
233 | IQQ | 0.8712 |
234 | 8Y7 | 0.8712 |
235 | 6WU | 0.8711 |
236 | 7PJ | 0.8710 |
237 | 121 | 0.8707 |
238 | HHB | 0.8705 |
239 | ZRK | 0.8704 |
240 | XEV | 0.8702 |
241 | 28A | 0.8701 |
242 | KTV | 0.8701 |
243 | TCR | 0.8701 |
244 | HPK | 0.8699 |
245 | EMF | 0.8699 |
246 | 245 | 0.8699 |
247 | 3GX | 0.8698 |
248 | 3D3 | 0.8698 |
249 | LU2 | 0.8695 |
250 | XYP XDN | 0.8693 |
251 | 120 | 0.8690 |
252 | OUG | 0.8690 |
253 | D8Q | 0.8689 |
254 | 7G2 | 0.8688 |
255 | BX4 | 0.8687 |
256 | WA1 | 0.8684 |
257 | E9L | 0.8684 |
258 | P7V | 0.8683 |
259 | 3GV | 0.8681 |
260 | 0XR | 0.8681 |
261 | E92 | 0.8680 |
262 | XDN XYP | 0.8680 |
263 | XYP XYS | 0.8680 |
264 | HPX | 0.8675 |
265 | 7QY | 0.8674 |
266 | YE6 | 0.8674 |
267 | 122 | 0.8673 |
268 | BMZ | 0.8673 |
269 | 5NN | 0.8673 |
270 | IXG | 0.8673 |
271 | 6FX | 0.8671 |
272 | JCQ | 0.8670 |
273 | 7AP | 0.8669 |
274 | H2W | 0.8669 |
275 | QKU | 0.8669 |
276 | 4GU | 0.8669 |
277 | OUA | 0.8668 |
278 | BSU | 0.8666 |
279 | 2PV | 0.8664 |
280 | 1DR | 0.8662 |
281 | 5ZM | 0.8661 |
282 | MR6 | 0.8655 |
283 | 5C1 | 0.8654 |
284 | NK5 | 0.8653 |
285 | FY8 | 0.8653 |
286 | MR5 | 0.8652 |
287 | 4Z9 | 0.8651 |
288 | NXB | 0.8649 |
289 | 4YE | 0.8648 |
290 | 0FR | 0.8647 |
291 | 5XM | 0.8646 |
292 | WLH | 0.8644 |
293 | CT0 | 0.8640 |
294 | 124 | 0.8636 |
295 | 6F3 | 0.8635 |
296 | 135 | 0.8635 |
297 | U55 | 0.8634 |
298 | CDJ | 0.8634 |
299 | MR4 | 0.8633 |
300 | 7N8 | 0.8633 |
301 | FTK | 0.8630 |
302 | LTN | 0.8627 |
303 | NKI | 0.8624 |
304 | 88X | 0.8620 |
305 | W8L | 0.8620 |
306 | 4MP | 0.8619 |
307 | ESE | 0.8618 |
308 | 27K | 0.8618 |
309 | GB4 | 0.8618 |
310 | 14N | 0.8617 |
311 | 3SU | 0.8613 |
312 | CWE | 0.8611 |
313 | YZ9 | 0.8610 |
314 | BSV | 0.8610 |
315 | P4L | 0.8606 |
316 | 08C | 0.8598 |
317 | FBC | 0.8598 |
318 | 6DH | 0.8597 |
319 | GA2 | 0.8595 |
320 | ZYC | 0.8594 |
321 | NQ7 | 0.8589 |
322 | 0J2 | 0.8589 |
323 | LJ1 | 0.8587 |
324 | M25 | 0.8586 |
325 | A63 | 0.8585 |
326 | WF4 | 0.8583 |
327 | SJR | 0.8579 |
328 | JL7 | 0.8576 |
329 | 2PK | 0.8576 |
330 | LIT | 0.8575 |
331 | M1D | 0.8572 |
332 | 1Q2 | 0.8572 |
333 | 27F | 0.8568 |
334 | JF5 | 0.8565 |
335 | 8MP | 0.8564 |
336 | EP1 | 0.8563 |
337 | AOY | 0.8556 |
338 | 5TO | 0.8556 |
339 | 0RB | 0.8554 |
340 | GB5 | 0.8553 |
341 | 5XL | 0.8551 |
342 | RYY | 0.8551 |
343 | EEY | 0.8550 |
344 | Q5M | 0.8550 |
345 | 0MB | 0.8546 |
346 | WA2 | 0.8544 |
347 | 5TU | 0.8543 |
348 | CR4 | 0.8538 |
349 | GI2 | 0.8536 |
350 | TEF | 0.8532 |
351 | J27 | 0.8530 |
352 | 0RY | 0.8526 |
353 | GW9 | 0.8525 |