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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 2 families. | |||||
1 | 1LJT | ic50 = 7 uM | HDI | C12 H13 N O4 | COC(=O)C[C.... |
2 | 3L5R | ic50 = 38 nM | 47X | C15 H10 O5 | c1cc(c(cc1.... |
3 | 5J7Q | Ki = 26.6 uM | 6H2 | C13 H10 N2 O2 | c1ccn2cc(n.... |
4 | 5HVT | Kd = 0.055 uM | NVS | C15 H13 N O4 | COc1ccc(cc.... |
5 | 5B4O | - | 6DQ | C13 H8 N2 O S | c1ccc2c(c1.... |
6 | 1GCZ | Ki = 7.4 uM | YZ9 | C12 H10 O5 | CCOC(=O)C1.... |
7 | 3L5P | - | 428 | C9 H11 N3 O | CC(C)c1cn2.... |
8 | 5HVS | Kd = 0.071 uM | 65V | C24 H15 F N4 O4 | c1cc(cc(c1.... |
9 | 6B1C | Kd = 0.111 uM | C9J | C17 H12 F N5 O2 | CN1C=Cc2cc.... |
10 | 3L5T | - | 956 | C20 H18 N4 O2 S | CN1c2ccccc.... |
11 | 3IJJ | - | EN1 | C9 H8 O4 | c1cc(ccc1/.... |
12 | 6CBG | Ki = 113 uM | EWG | C10 H8 N2 O2 | c1cc(cc(c1.... |
13 | 4K9G | - | 1Q1 | C12 H12 F N O3 | CC(=O)C[C@.... |
14 | 3IJG | Kd = 54 uM | AVR | C13 H17 N3 O | C[C@H](C(=.... |
15 | 4WRB | Ki = 0.65 uM | 3TW | C20 H18 N4 O3 | COCCOc1ccc.... |
16 | 1CA7 | - | ENO | C9 H8 O4 | c1cc(ccc1C.... |
17 | 2OOH | ic50 = 1.3 uM | OX3 | C14 H17 N O3 | c1cc(ccc1C.... |
18 | 2OOZ | ic50 = 7 uM | OX5 | C13 H17 N O3 | CC(C)(C)CC.... |
19 | 3DJI | - | 3E1 | C16 H16 N2 O4 | CC(=O)Nc1c.... |
20 | 6CBF | Ki = 6.8 uM | EWD | C16 H12 N2 O3 | c1ccc(cc1).... |
21 | 3L5U | - | ZEC | C7 H6 N2 O3 S2 | c1cc2c(cc1.... |
22 | 6CB5 | Ki = 4.3 uM | EV7 | C20 H14 N2 O3 | c1ccc2cc(c.... |
23 | 6B1K | Kd = 0.213 uM | C9G | C17 H13 N5 O2 | CN1C=Cc2cc.... |
24 | 3L5S | - | 88X | C15 H13 N3 O2 | CCC1=CC(=O.... |
25 | 6CBH | Ki = 0.51 uM | EWJ | C20 H13 F N2 O3 | c1ccc2cc(c.... |
26 | 3U18 | ic50 = 0.81 uM | Y0X | C34 H28 N6 O16 S4 | COc1c(ccc(.... |
27 | 6B2C | Kd = 0.094 uM | C9Y | C18 H12 F N5 O4 | c1cc(c(cc1.... |
28 | 1MFI | Ki = 2.6 uM | FHC | C9 H6 F O3 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1LJT | ic50 = 7 uM | HDI | C12 H13 N O4 | COC(=O)C[C.... |
2 | 3L5R | ic50 = 38 nM | 47X | C15 H10 O5 | c1cc(c(cc1.... |
3 | 5J7Q | Ki = 26.6 uM | 6H2 | C13 H10 N2 O2 | c1ccn2cc(n.... |
4 | 5HVT | Kd = 0.055 uM | NVS | C15 H13 N O4 | COc1ccc(cc.... |
5 | 5B4O | - | 6DQ | C13 H8 N2 O S | c1ccc2c(c1.... |
6 | 1GCZ | Ki = 7.4 uM | YZ9 | C12 H10 O5 | CCOC(=O)C1.... |
7 | 3L5P | - | 428 | C9 H11 N3 O | CC(C)c1cn2.... |
8 | 5HVS | Kd = 0.071 uM | 65V | C24 H15 F N4 O4 | c1cc(cc(c1.... |
9 | 6B1C | Kd = 0.111 uM | C9J | C17 H12 F N5 O2 | CN1C=Cc2cc.... |
10 | 3L5T | - | 956 | C20 H18 N4 O2 S | CN1c2ccccc.... |
11 | 3IJJ | - | EN1 | C9 H8 O4 | c1cc(ccc1/.... |
12 | 6CBG | Ki = 113 uM | EWG | C10 H8 N2 O2 | c1cc(cc(c1.... |
13 | 4K9G | - | 1Q1 | C12 H12 F N O3 | CC(=O)C[C@.... |
14 | 3IJG | Kd = 54 uM | AVR | C13 H17 N3 O | C[C@H](C(=.... |
15 | 4WRB | Ki = 0.65 uM | 3TW | C20 H18 N4 O3 | COCCOc1ccc.... |
16 | 1CA7 | - | ENO | C9 H8 O4 | c1cc(ccc1C.... |
17 | 2OOH | ic50 = 1.3 uM | OX3 | C14 H17 N O3 | c1cc(ccc1C.... |
18 | 2OOZ | ic50 = 7 uM | OX5 | C13 H17 N O3 | CC(C)(C)CC.... |
19 | 3DJI | - | 3E1 | C16 H16 N2 O4 | CC(=O)Nc1c.... |
20 | 6CBF | Ki = 6.8 uM | EWD | C16 H12 N2 O3 | c1ccc(cc1).... |
21 | 3L5U | - | ZEC | C7 H6 N2 O3 S2 | c1cc2c(cc1.... |
22 | 6CB5 | Ki = 4.3 uM | EV7 | C20 H14 N2 O3 | c1ccc2cc(c.... |
23 | 6B1K | Kd = 0.213 uM | C9G | C17 H13 N5 O2 | CN1C=Cc2cc.... |
24 | 3L5S | - | 88X | C15 H13 N3 O2 | CCC1=CC(=O.... |
25 | 6CBH | Ki = 0.51 uM | EWJ | C20 H13 F N2 O3 | c1ccc2cc(c.... |
26 | 3U18 | ic50 = 0.81 uM | Y0X | C34 H28 N6 O16 S4 | COc1c(ccc(.... |
27 | 6B2C | Kd = 0.094 uM | C9Y | C18 H12 F N5 O4 | c1cc(c(cc1.... |
28 | 4Q3F | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
29 | 6C5F | Ki = 33 uM | 7L9 | C14 H9 N O6 | c1cc(cc(c1.... |
30 | 3RF5 | Ki = 2.37 uM | FUZ | C12 H11 N O3 | c1ccc(c(c1.... |
31 | 3RF4 | Ki = 0.56 uM | FUN | C12 H11 Cl N2 O5 S | c1cc(oc1)C.... |
32 | 1MFI | Ki = 2.6 uM | FHC | C9 H6 F O3 | c1cc(ccc1C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GEN | 0.9681 |
2 | 7EL | 0.9517 |
3 | 789 | 0.9450 |
4 | D64 | 0.9398 |
5 | OA4 | 0.9387 |
6 | 121 | 0.9384 |
7 | 122 | 0.9381 |
8 | BMZ | 0.9381 |
9 | 120 | 0.9363 |
10 | EES | 0.9361 |
11 | 6BK | 0.9341 |
12 | ZTW | 0.9340 |
13 | 1HP | 0.9339 |
14 | 0OK | 0.9336 |
15 | 5DE | 0.9316 |
16 | 3K1 | 0.9308 |
17 | 6QT | 0.9306 |
18 | 7ZO | 0.9302 |
19 | L2K | 0.9286 |
20 | 124 | 0.9279 |
21 | G2V | 0.9273 |
22 | EI1 | 0.9271 |
23 | AP6 | 0.9259 |
24 | MI2 | 0.9258 |
25 | 7FZ | 0.9254 |
26 | 6H2 | 0.9249 |
27 | 7EH | 0.9249 |
28 | J84 | 0.9244 |
29 | 5OR | 0.9242 |
30 | 4DE | 0.9239 |
31 | 6EL | 0.9238 |
32 | RSV | 0.9236 |
33 | 1V4 | 0.9232 |
34 | F4U | 0.9230 |
35 | H75 | 0.9223 |
36 | 1V3 | 0.9220 |
37 | 6JM | 0.9214 |
38 | EF2 | 0.9214 |
39 | 3F4 | 0.9209 |
40 | RGK | 0.9201 |
41 | SZ5 | 0.9193 |
42 | K3T | 0.9193 |
43 | 0DF | 0.9191 |
44 | 2L1 | 0.9190 |
45 | IQW | 0.9188 |
46 | 23M | 0.9187 |
47 | 3DE | 0.9180 |
48 | 5S9 | 0.9178 |
49 | 4NR | 0.9175 |
50 | 6DQ | 0.9170 |
51 | 802 | 0.9168 |
52 | 4YE | 0.9164 |
53 | OLU | 0.9162 |
54 | 22M | 0.9161 |
55 | KW7 | 0.9156 |
56 | 15Q | 0.9141 |
57 | 1V8 | 0.9141 |
58 | AUG | 0.9141 |
59 | 5TU | 0.9140 |
60 | C0V | 0.9140 |
61 | WDW | 0.9133 |
62 | PIQ | 0.9133 |
63 | 397 | 0.9130 |
64 | LU2 | 0.9129 |
65 | BG8 | 0.9129 |
66 | GJG | 0.9128 |
67 | E6Q | 0.9124 |
68 | 361 | 0.9118 |
69 | 2QU | 0.9111 |
70 | 196 | 0.9107 |
71 | 801 | 0.9106 |
72 | TFX | 0.9105 |
73 | 5VU | 0.9103 |
74 | 68C | 0.9099 |
75 | 3QI | 0.9097 |
76 | BXS | 0.9091 |
77 | 5XM | 0.9089 |
78 | 2QV | 0.9089 |
79 | Y70 | 0.9083 |
80 | NVS | 0.9079 |
81 | 3WL | 0.9076 |
82 | EST | 0.9075 |
83 | 6JO | 0.9075 |
84 | 20D | 0.9072 |
85 | EUN | 0.9071 |
86 | 40N | 0.9070 |
87 | 5ZM | 0.9068 |
88 | 205 | 0.9065 |
89 | 7LU | 0.9060 |
90 | A05 | 0.9059 |
91 | 39R | 0.9054 |
92 | 907 | 0.9053 |
93 | 1Q4 | 0.9050 |
94 | 7G0 | 0.9048 |
95 | 738 | 0.9046 |
96 | XYP XYP | 0.9041 |
97 | FYR | 0.9039 |
98 | 1V1 | 0.9038 |
99 | MR4 | 0.9038 |
100 | TGW | 0.9035 |
101 | 83D | 0.9035 |
102 | ESJ | 0.9034 |
103 | 5M2 | 0.9034 |
104 | 4CN | 0.9033 |
105 | QS4 | 0.9031 |
106 | MR5 | 0.9028 |
107 | 5WK | 0.9025 |
108 | AUE | 0.9022 |
109 | KMP | 0.9020 |
110 | 5R9 | 0.9018 |
111 | X8I | 0.9015 |
112 | 6WL | 0.9015 |
113 | DFL | 0.9015 |
114 | H4B | 0.9014 |
115 | CR4 | 0.9007 |
116 | H50 | 0.9004 |
117 | 613 | 0.9004 |
118 | PQM | 0.9002 |
119 | Q0K | 0.8999 |
120 | 7L4 | 0.8998 |
121 | A73 | 0.8998 |
122 | WCU | 0.8997 |
123 | HBI | 0.8993 |
124 | H2B | 0.8993 |
125 | 4AB | 0.8990 |
126 | D25 | 0.8990 |
127 | Q8G | 0.8986 |
128 | 27F | 0.8985 |
129 | 109 | 0.8985 |
130 | MQ1 | 0.8985 |
131 | AGI | 0.8982 |
132 | 123 | 0.8981 |
133 | M3W | 0.8976 |
134 | ZAR | 0.8974 |
135 | KP2 | 0.8969 |
136 | ESZ | 0.8962 |
137 | SJR | 0.8961 |
138 | PIC | 0.8958 |
139 | TVC | 0.8957 |
140 | QUE | 0.8954 |
141 | NYJ | 0.8952 |
142 | C4E | 0.8949 |
143 | LVY | 0.8945 |
144 | BC5 | 0.8945 |
145 | EZB | 0.8944 |
146 | EQU | 0.8942 |
147 | 2P3 | 0.8941 |
148 | FBC | 0.8939 |
149 | 3WK | 0.8936 |
150 | NE1 | 0.8935 |
151 | 041 | 0.8934 |
152 | CU8 | 0.8929 |
153 | 90G | 0.8928 |
154 | CX6 | 0.8926 |
155 | Q92 | 0.8924 |
156 | TEF | 0.8924 |
157 | E98 | 0.8922 |
158 | AVX | 0.8920 |
159 | BHS | 0.8920 |
160 | C4F | 0.8916 |
161 | IW5 | 0.8916 |
162 | TVZ | 0.8912 |
163 | 57D | 0.8911 |
164 | 26A | 0.8910 |
165 | 1CE | 0.8908 |
166 | S1C | 0.8908 |
167 | BX4 | 0.8907 |
168 | GJB | 0.8906 |
169 | AJ6 | 0.8906 |
170 | 697 | 0.8904 |
171 | FCW | 0.8903 |
172 | 72H | 0.8899 |
173 | NPX | 0.8899 |
174 | J2N | 0.8894 |
175 | S45 | 0.8894 |
176 | B2L | 0.8894 |
177 | 6P3 | 0.8894 |
178 | 0DJ | 0.8892 |
179 | O9Q | 0.8890 |
180 | KHP | 0.8888 |
181 | P2L | 0.8886 |
182 | LZJ | 0.8884 |
183 | E92 | 0.8878 |
184 | J3Z | 0.8877 |
185 | JL7 | 0.8876 |
186 | OUG | 0.8874 |
187 | DH2 | 0.8872 |
188 | NAR | 0.8872 |
189 | IIH | 0.8870 |
190 | 1UZ | 0.8870 |
191 | LR8 | 0.8864 |
192 | HDI | 0.8864 |
193 | A8D | 0.8864 |
194 | AJ4 | 0.8863 |
195 | OUA | 0.8863 |
196 | O9Z | 0.8859 |
197 | PQS | 0.8854 |
198 | KXN | 0.8852 |
199 | CWE | 0.8849 |
200 | JZ8 | 0.8847 |
201 | DX2 | 0.8846 |
202 | D4O | 0.8845 |
203 | 6MD | 0.8843 |
204 | 8M5 | 0.8843 |
205 | 4ZW | 0.8837 |
206 | 3WN | 0.8836 |
207 | 3WO | 0.8836 |
208 | AOM | 0.8835 |
209 | C2M | 0.8835 |
210 | YZ9 | 0.8834 |
211 | TH1 | 0.8834 |
212 | FL8 | 0.8833 |
213 | MQR | 0.8830 |
214 | JTK | 0.8829 |
215 | 6VW | 0.8828 |
216 | DFV | 0.8827 |
217 | U55 | 0.8826 |
218 | AX1 | 0.8826 |
219 | 0SY | 0.8825 |
220 | 7GY | 0.8824 |
221 | 1UR | 0.8821 |
222 | AZB | 0.8820 |
223 | K97 | 0.8819 |
224 | IXG | 0.8818 |
225 | 3UG | 0.8815 |
226 | NPS | 0.8815 |
227 | GBJ | 0.8815 |
228 | XYS XYS | 0.8814 |
229 | Q2S | 0.8812 |
230 | 72G | 0.8812 |
231 | 3MI | 0.8810 |
232 | T98 | 0.8810 |
233 | AT2 | 0.8809 |
234 | IW3 | 0.8807 |
235 | QME | 0.8807 |
236 | 135 | 0.8806 |
237 | ESR | 0.8806 |
238 | NXB | 0.8805 |
239 | Y27 | 0.8805 |
240 | LZ4 | 0.8805 |
241 | 17M | 0.8804 |
242 | ECS | 0.8801 |
243 | 2OX | 0.8799 |
244 | 4L2 | 0.8799 |
245 | AQN | 0.8797 |
246 | MYC | 0.8796 |
247 | EAT | 0.8792 |
248 | UAY | 0.8791 |
249 | 1Q1 | 0.8790 |
250 | 5B2 | 0.8790 |
251 | 658 | 0.8789 |
252 | JOB | 0.8787 |
253 | A11 | 0.8786 |
254 | 5CK | 0.8786 |
255 | DES | 0.8783 |
256 | LJ5 | 0.8781 |
257 | CMP | 0.8780 |
258 | CUE | 0.8780 |
259 | DQH | 0.8777 |
260 | 1V0 | 0.8777 |
261 | 72E | 0.8776 |
262 | 72D | 0.8774 |
263 | BP5 | 0.8774 |
264 | IMK | 0.8773 |
265 | JNW | 0.8771 |
266 | CIU | 0.8771 |
267 | 5TT | 0.8770 |
268 | 6WU | 0.8770 |
269 | NNF | 0.8767 |
270 | TYP | 0.8765 |
271 | 4UE | 0.8764 |
272 | MQU | 0.8763 |
273 | J3B | 0.8763 |
274 | NQK | 0.8760 |
275 | WA1 | 0.8760 |
276 | DZ3 | 0.8758 |
277 | 35G | 0.8757 |
278 | XDL XYP | 0.8756 |
279 | 8D6 | 0.8755 |
280 | AWE | 0.8755 |
281 | AJ8 | 0.8754 |
282 | PCQ | 0.8752 |
283 | 22T | 0.8752 |
284 | Q12 | 0.8752 |
285 | 0LA | 0.8752 |
286 | S8P | 0.8752 |
287 | 3WJ | 0.8750 |
288 | U4J | 0.8750 |
289 | NE2 | 0.8749 |
290 | VIB | 0.8743 |
291 | 7G2 | 0.8742 |
292 | 3JC | 0.8739 |
293 | LJ1 | 0.8733 |
294 | 2L2 | 0.8733 |
295 | 338 | 0.8733 |
296 | DDC | 0.8732 |
297 | 2JX | 0.8729 |
298 | STL | 0.8729 |
299 | 4AJ | 0.8727 |
300 | 35K | 0.8727 |
301 | 136 | 0.8726 |
302 | TQ4 | 0.8722 |
303 | XYP XDN | 0.8720 |
304 | MGI | 0.8720 |
305 | PIT | 0.8719 |
306 | UN9 | 0.8717 |
307 | 4JV | 0.8716 |
308 | BVB | 0.8715 |
309 | L6Y | 0.8714 |
310 | LJ2 | 0.8712 |
311 | TES | 0.8710 |
312 | 6T5 | 0.8708 |
313 | D26 | 0.8707 |
314 | IW1 | 0.8705 |
315 | 26C | 0.8699 |
316 | 9FH | 0.8693 |
317 | IW4 | 0.8693 |
318 | ERJ | 0.8689 |
319 | CC6 | 0.8687 |
320 | 6B5 | 0.8685 |
321 | 9JT | 0.8684 |
322 | E8Z | 0.8682 |
323 | 245 | 0.8679 |
324 | R18 | 0.8673 |
325 | D59 | 0.8672 |
326 | MTP | 0.8671 |
327 | HPK | 0.8668 |
328 | 68B | 0.8666 |
329 | 5SD | 0.8661 |
330 | 8WB | 0.8656 |
331 | XYS XYP | 0.8655 |
332 | K0G | 0.8653 |
333 | J2P | 0.8652 |
334 | 334 | 0.8649 |
335 | MQS | 0.8648 |
336 | 5YA | 0.8648 |
337 | GA6 | 0.8644 |
338 | V50 | 0.8644 |
339 | MBT | 0.8644 |
340 | BIO | 0.8642 |
341 | NQ7 | 0.8642 |
342 | XIL | 0.8641 |
343 | EAA | 0.8640 |
344 | M77 | 0.8640 |
345 | 54E | 0.8635 |
346 | IYX | 0.8635 |
347 | JO5 | 0.8630 |
348 | DHT | 0.8627 |
349 | OJ7 | 0.8626 |
350 | 5AD | 0.8623 |
351 | C93 | 0.8622 |
352 | 555 | 0.8620 |
353 | L3L | 0.8620 |
354 | KLE | 0.8617 |
355 | 9Y8 | 0.8617 |
356 | DZ2 | 0.8616 |
357 | MR6 | 0.8615 |
358 | 51Y | 0.8612 |
359 | 1FL | 0.8612 |
360 | CX5 | 0.8611 |
361 | SDN | 0.8610 |
362 | STR | 0.8607 |
363 | S0D | 0.8605 |
364 | FHV | 0.8602 |
365 | 73E | 0.8599 |
366 | M16 | 0.8597 |
367 | G1L | 0.8596 |
368 | ADN | 0.8591 |
369 | RDV | 0.8591 |
370 | IEE | 0.8590 |
371 | 1GM | 0.8589 |
372 | NOS | 0.8588 |
373 | FTK | 0.8588 |
374 | B2X | 0.8588 |
375 | FHI | 0.8584 |
376 | BSU | 0.8582 |
377 | IPJ | 0.8580 |
378 | WF4 | 0.8580 |
379 | SAK | 0.8578 |
380 | 27R | 0.8565 |
381 | AO | 0.8563 |
382 | Z3R | 0.8556 |
383 | C5Q | 0.8553 |
384 | 16G | 0.8553 |
385 | H4B NO | 0.8552 |
386 | KLS | 0.8552 |
387 | 6MY | 0.8551 |
388 | BBY | 0.8549 |
389 | 5XK | 0.8549 |
390 | HAU | 0.8546 |
391 | CC5 | 0.8538 |
392 | ADL | 0.8535 |
393 | AJ1 | 0.8535 |
394 | 79X | 0.8516 |
395 | KVN | 0.8511 |
396 | PRH | 0.8510 |
397 | EV2 | 0.8508 |
398 | 0FR | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 3l5r.bio1) has 79 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |