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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 14 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
16 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
17 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
18 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
19 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
20 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
21 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 4TVJ | ic50 = 251 nM | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
16 | 4ZZY | Kd = 1.389 uM | D7N | C20 H24 F3 N3 O2 | c1c(cc(c2c.... |
17 | 4PJV | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
18 | 3KCZ | - | 3AB | C7 H8 N2 O | c1cc(cc(c1.... |
19 | 3KJD | Kd = 2.9 nM | 78P | C13 H16 N4 O | C[C@@]1(CC.... |
20 | 4ZZX | Kd = 0.125 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
21 | 3C4H | Kd = 2 uM | DRL | C8 H10 N2 O S | CC1=NC2=C(.... |
22 | 4L7P | - | M95 | C20 H19 N3 O3 | c1ccc(cc1).... |
23 | 4L7L | - | 1VA | C20 H21 N3 O3 | c1ccc(cc1).... |
24 | 4L7N | - | 1VB | C19 H20 N4 O4 S | C[C@@H](c1.... |
25 | 4L7R | - | M00 | C15 H19 N3 O3 | CC[C@@H](C.... |
26 | 4L6Z | - | 1DC | C18 H18 N4 O2 | C[C@@H](c1.... |
27 | 3FHB | Kd > 2 uM | GAB | C7 H7 N O2 | c1cc(cc(c1.... |
28 | 4L70 | - | 1V9 | C20 H21 N3 O2 | CC[C@@H](c.... |
29 | 4GV4 | ic50 = 0.89 uM | MEJ | C19 H19 N3 O2 | C[C@@H](c1.... |
30 | 4GV0 | ic50 = 1.3 uM | 8ME | C18 H18 N4 O2 | C[C@@H](c1.... |
31 | 4L7O | - | 1VD | C22 H21 N5 O2 | C[C@@H](c1.... |
32 | 4GV2 | - | 5ME | C18 H18 N4 O2 | C[C@H](c1c.... |
33 | 6NRG | ic50 = 56 nM | KYY | C17 H12 F N5 O3 | c1cc2c(c(o.... |
34 | 6NRJ | ic50 = 36 nM | KYJ | C26 H20 N4 O4 | c1ccc2c(c1.... |
35 | 6NRI | ic50 = 27 nM | KYM | C25 H21 N5 O4 | c1cc2c(c(c.... |
36 | 6NTU | - | GLC FRU | n/a | n/a |
37 | 6NRF | ic50 = 18 nM | KYV | C28 H25 N5 O4 | c1ccc2c(c1.... |
38 | 6NRH | ic50 = 55 nM | KYP | C25 H23 N5 O4 | c1cc2c(c(o.... |
39 | 6BHV | Kd = 5.87 uM | DQV | C22 H28 N6 O14 P2 | c1cc(cc(c1.... |
40 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
41 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
42 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
43 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
44 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
45 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
46 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ZVO | 0.9573 |
2 | MT8 | 0.9564 |
3 | 6BL | 0.9500 |
4 | X8D | 0.9462 |
5 | FLV | 0.9457 |
6 | 226 | 0.9439 |
7 | MM2 | 0.9379 |
8 | PYQ | 0.9377 |
9 | CFF | 0.9349 |
10 | 537 | 0.9331 |
11 | MXX | 0.9323 |
12 | TOF | 0.9300 |
13 | 37T | 0.9299 |
14 | 2ZQ | 0.9278 |
15 | MM1 | 0.9277 |
16 | LZ2 | 0.9276 |
17 | JUG | 0.9273 |
18 | 7B3 | 0.9271 |
19 | 7ZE | 0.9268 |
20 | 9KT | 0.9266 |
21 | LI6 | 0.9254 |
22 | DPZ | 0.9249 |
23 | G1O | 0.9242 |
24 | 5NS | 0.9240 |
25 | 4KL | 0.9236 |
26 | TIY | 0.9226 |
27 | NTZ | 0.9222 |
28 | 5WY | 0.9221 |
29 | 64C | 0.9220 |
30 | PHH | 0.9207 |
31 | 12B | 0.9205 |
32 | B60 | 0.9200 |
33 | RXA | 0.9194 |
34 | MAQ | 0.9190 |
35 | NQ | 0.9187 |
36 | VK3 | 0.9186 |
37 | MM5 | 0.9186 |
38 | CLZ | 0.9184 |
39 | 5NE | 0.9171 |
40 | NID | 0.9169 |
41 | 3GQ | 0.9151 |
42 | 8MO | 0.9147 |
43 | DNA | 0.9144 |
44 | UQ | 0.9138 |
45 | 3J8 | 0.9130 |
46 | XM5 | 0.9129 |
47 | 06B | 0.9113 |
48 | B56 | 0.9110 |
49 | R6T | 0.9107 |
50 | 1KP | 0.9104 |
51 | HNQ | 0.9103 |
52 | 8XQ | 0.9100 |
53 | FBG | 0.9099 |
54 | APZ | 0.9097 |
55 | G12 | 0.9091 |
56 | LDR | 0.9088 |
57 | IBM | 0.9087 |
58 | 582 | 0.9085 |
59 | 9AP | 0.9080 |
60 | ZYR | 0.9070 |
61 | NDM | 0.9064 |
62 | 680 | 0.9057 |
63 | 209 | 0.9047 |
64 | E1K | 0.9043 |
65 | TEP | 0.9039 |
66 | Q77 | 0.9037 |
67 | AP4 | 0.9036 |
68 | PFB | 0.9028 |
69 | PQ0 | 0.9028 |
70 | JU2 | 0.9028 |
71 | KGK | 0.9024 |
72 | H5B | 0.9022 |
73 | 2KA | 0.9019 |
74 | AJV | 0.9017 |
75 | RH1 | 0.9009 |
76 | UFO | 0.9009 |
77 | PEY | 0.9005 |
78 | L7T | 0.9002 |
79 | 3MG | 0.9001 |
80 | MM6 | 0.8999 |
81 | H33 | 0.8996 |
82 | BGC | 0.8989 |
83 | GLC | 0.8988 |
84 | MUA | 0.8988 |
85 | TTY | 0.8988 |
86 | BEA | 0.8987 |
87 | INE | 0.8986 |
88 | Q7A | 0.8984 |
89 | 0XT | 0.8982 |
90 | ISE | 0.8980 |
91 | AZ9 | 0.8976 |
92 | BDP | 0.8976 |
93 | 2FQ | 0.8973 |
94 | DNC | 0.8968 |
95 | PX7 | 0.8963 |
96 | I6G | 0.8961 |
97 | XHP | 0.8959 |
98 | 8HC | 0.8956 |
99 | B62 | 0.8954 |
100 | 44W | 0.8950 |
101 | 9TF | 0.8949 |
102 | 32X | 0.8949 |
103 | KJ5 | 0.8946 |
104 | HQD | 0.8945 |
105 | 0FK | 0.8937 |
106 | BSP | 0.8935 |
107 | 0N7 | 0.8934 |
108 | GIM | 0.8933 |
109 | KJY | 0.8933 |
110 | FDR | 0.8930 |
111 | 39A | 0.8930 |
112 | G3F | 0.8930 |
113 | BPU | 0.8927 |
114 | 28N | 0.8922 |
115 | AEZ | 0.8916 |
116 | 8CM | 0.8915 |
117 | MNY | 0.8914 |
118 | KFH | 0.8913 |
119 | 5RO | 0.8910 |
120 | DPT | 0.8908 |
121 | PXL | 0.8908 |
122 | 5VJ | 0.8896 |
123 | FDB | 0.8893 |
124 | OA3 | 0.8888 |
125 | KIF | 0.8887 |
126 | DQU | 0.8884 |
127 | PRF | 0.8884 |
128 | EJZ | 0.8882 |
129 | QPR | 0.8881 |
130 | K6X | 0.8880 |
131 | UAN | 0.8880 |
132 | 0P6 | 0.8879 |
133 | AA | 0.8874 |
134 | JYB | 0.8874 |
135 | MT0 | 0.8872 |
136 | 39O | 0.8872 |
137 | 3WA | 0.8871 |
138 | HZQ | 0.8870 |
139 | PH2 | 0.8869 |
140 | GAL | 0.8866 |
141 | 64E | 0.8865 |
142 | 495 | 0.8865 |
143 | OTW | 0.8864 |
144 | SRO | 0.8863 |
145 | MVL | 0.8860 |
146 | 1HN | 0.8856 |
147 | MHK | 0.8855 |
148 | E7R | 0.8854 |
149 | 7VJ | 0.8854 |
150 | TTL | 0.8854 |
151 | JBQ | 0.8851 |
152 | QX4 | 0.8847 |
153 | TNL | 0.8846 |
154 | AQO | 0.8840 |
155 | JXN | 0.8840 |
156 | 96U | 0.8837 |
157 | DQN | 0.8837 |
158 | MEW | 0.8835 |
159 | 4MU | 0.8835 |
160 | HHR | 0.8832 |
161 | PE0 | 0.8830 |
162 | 7NI | 0.8829 |
163 | MT5 | 0.8826 |
164 | AJ2 | 0.8826 |
165 | HLZ | 0.8825 |
166 | N8Y | 0.8824 |
167 | ROI | 0.8823 |
168 | BA5 | 0.8820 |
169 | 4VS | 0.8820 |
170 | 4RU | 0.8819 |
171 | MVN | 0.8818 |
172 | GJP | 0.8817 |
173 | SYR | 0.8817 |
174 | M5K | 0.8813 |
175 | 12Q | 0.8813 |
176 | HQT | 0.8811 |
177 | 4HC | 0.8811 |
178 | ANF | 0.8810 |
179 | 2AK | 0.8810 |
180 | QNA | 0.8808 |
181 | PCI | 0.8808 |
182 | GCW | 0.8808 |
183 | Q24 | 0.8808 |
184 | AZ8 | 0.8805 |
185 | 0FO | 0.8804 |
186 | DX3 | 0.8804 |
187 | HKD | 0.8801 |
188 | Z5P | 0.8800 |
189 | Q6T | 0.8797 |
190 | KJH | 0.8795 |
191 | 5QX | 0.8795 |
192 | 2K8 | 0.8794 |
193 | DNF | 0.8794 |
194 | TNF | 0.8794 |
195 | GNM | 0.8790 |
196 | BNT | 0.8788 |
197 | 68A | 0.8787 |
198 | M1H | 0.8786 |
199 | HFB | 0.8786 |
200 | 6ME | 0.8784 |
201 | IBF | 0.8783 |
202 | 9MG | 0.8783 |
203 | BBF | 0.8782 |
204 | HTP | 0.8782 |
205 | BCF | 0.8781 |
206 | SKA | 0.8781 |
207 | 7VS | 0.8779 |
208 | B57 | 0.8779 |
209 | TQU | 0.8777 |
210 | HHS | 0.8775 |
211 | 344 | 0.8773 |
212 | UNC | 0.8773 |
213 | DHQ | 0.8770 |
214 | DRG | 0.8769 |
215 | AKH | 0.8769 |
216 | 3IT | 0.8769 |
217 | 1U6 | 0.8769 |
218 | REF | 0.8767 |
219 | 7W1 | 0.8766 |
220 | 2LY | 0.8765 |
221 | 2JK | 0.8763 |
222 | THA | 0.8763 |
223 | K68 | 0.8762 |
224 | TXQ | 0.8762 |
225 | M0Q | 0.8761 |
226 | ICO | 0.8755 |
227 | MNS | 0.8755 |
228 | NAG | 0.8753 |
229 | 30G | 0.8751 |
230 | 44V | 0.8750 |
231 | KUF | 0.8749 |
232 | 0FN | 0.8749 |
233 | 42C | 0.8745 |
234 | JG8 | 0.8744 |
235 | CB1 | 0.8740 |
236 | DK1 | 0.8739 |
237 | 1X7 | 0.8735 |
238 | 5WX | 0.8735 |
239 | GOG | 0.8734 |
240 | A7W | 0.8731 |
241 | FOT | 0.8730 |
242 | GTZ | 0.8729 |
243 | 27B | 0.8728 |
244 | PXM | 0.8727 |
245 | IV2 | 0.8725 |
246 | C2Y | 0.8721 |
247 | CWS | 0.8719 |
248 | 4ME | 0.8714 |
249 | K32 | 0.8711 |
250 | K22 | 0.8711 |
251 | DBJ | 0.8710 |
252 | 5RN | 0.8710 |
253 | M0W | 0.8710 |
254 | 1QP | 0.8708 |
255 | F12 | 0.8704 |
256 | N0Z | 0.8701 |
257 | 3TJ | 0.8700 |
258 | XQK | 0.8698 |
259 | BRV | 0.8697 |
260 | F3B | 0.8696 |
261 | M2K | 0.8694 |
262 | TBS | 0.8693 |
263 | 92P | 0.8688 |
264 | EMO | 0.8686 |
265 | D07 | 0.8684 |
266 | 4Z4 | 0.8682 |
267 | 7ME | 0.8679 |
268 | DRL | 0.8676 |
269 | VNL | 0.8675 |
270 | JR2 | 0.8675 |
271 | JY4 | 0.8674 |
272 | HJP | 0.8674 |
273 | URC | 0.8674 |
274 | QBK | 0.8671 |
275 | GCU | 0.8671 |
276 | 86J | 0.8671 |
277 | DIN | 0.8669 |
278 | UXH | 0.8666 |
279 | K17 | 0.8665 |
280 | KT7 | 0.8664 |
281 | GCB | 0.8662 |
282 | 54X | 0.8661 |
283 | 6E8 | 0.8658 |
284 | M6N | 0.8658 |
285 | EA1 | 0.8656 |
286 | J9W | 0.8656 |
287 | 4AA | 0.8655 |
288 | JTA | 0.8654 |
289 | IJZ | 0.8651 |
290 | AY4 | 0.8647 |
291 | KLK | 0.8645 |
292 | ALR | 0.8641 |
293 | IP2 | 0.8640 |
294 | GNV | 0.8639 |
295 | K44 | 0.8639 |
296 | RPQ | 0.8630 |
297 | 465 | 0.8625 |
298 | MRW | 0.8624 |
299 | 6QF | 0.8623 |
300 | 8W9 | 0.8623 |
301 | 6X9 | 0.8622 |
302 | JKZ | 0.8616 |
303 | XFE | 0.8611 |
304 | YSO | 0.8610 |
305 | F2W | 0.8610 |
306 | MO8 | 0.8608 |
307 | SYA | 0.8605 |
308 | 4TU | 0.8602 |
309 | I3C | 0.8601 |
310 | 67X | 0.8593 |
311 | THM | 0.8592 |
312 | CTS | 0.8591 |
313 | AIN | 0.8584 |
314 | 6VD | 0.8582 |
315 | ANC | 0.8580 |
316 | PDC | 0.8578 |
317 | C2U | 0.8576 |
318 | LOG | 0.8573 |
319 | 9LI | 0.8573 |
320 | CCV | 0.8560 |
321 | CKA | 0.8556 |
322 | 9FL | 0.8555 |
323 | 2HQ | 0.8555 |
324 | 3C1 | 0.8550 |
325 | G3E | 0.8547 |
326 | GSY | 0.8546 |
327 | FE DB1 | 0.8542 |
328 | 1SQ | 0.8535 |
329 | 3C2 | 0.8530 |
330 | 2J9 | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 1efy.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 10.1083 |
2 | 6W65 | T9D | 10.1083 |