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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 266 families. | |||||
1 | 5NVX | Kd = 44 nM | 4YY | C26 H33 F N4 O4 S | Cc1c(scn1).... |
2 | 4W9J | Kd = 0.588 uM | 3JH | C30 H43 N5 O5 S | Cc1c(scn1).... |
3 | 6GFZ | Kd = 3080 nM | EXE | C24 H31 F N4 O4 S | Cc1c(scn1).... |
4 | 5NW1 | Kd = 210 nM | 9BH | C27 H36 N4 O4 S | Cc1c(scn1).... |
5 | 5LLI | Kd = 90 nM | 6Z3 | C27 H33 N5 O4 S | Cc1c(scn1).... |
6 | 5NVV | Kd = 105 nM | 9BT | C24 H32 N4 O5 S | Cc1c(scn1).... |
7 | 4W9L | Kd = 9.52 uM | 3JJ | C30 H43 N5 O5 S | Cc1c(scn1).... |
8 | 4W9C | Kd = 22.2 uM | 3JG | C21 H27 N3 O4 | CC(C)(C)CC.... |
9 | 5NW0 | Kd = 128 nM | 9BK | C28 H37 N5 O5 S | Cc1c(scn1).... |
10 | 5NVW | Kd = 132 nM | 9BW | C26 H34 N4 O4 S | Cc1c(scn1).... |
11 | 4W9D | Kd = 10.2 uM | 3JK | C22 H29 N3 O4 | Cc1c(ocn1).... |
12 | 4AWJ | Kd ~ 10000 uM | V6F | C8 H14 N2 O3 | CC(=O)N1C[.... |
13 | 6FMJ | Kd = 0.76 uM | DV5 | C21 H26 N4 O3 S2 | Cc1c(scn1).... |
14 | 4W9I | Kd = 1.1 uM | 3JS | C23 H28 N4 O5 S | Cc1c(scn1).... |
15 | 5NW2 | Kd = 232 nM | 9B8 | C26 H34 N4 O5 S | Cc1c(scn1).... |
16 | 4BKT | Kd = 240 uM | QD0 | C12 H17 N3 O4 | Cc1cc(on1).... |
17 | 4W9K | Kd = 0.291 uM | 3JO | C33 H41 N5 O5 S | Cc1c(scn1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 5NVX | Kd = 44 nM | 4YY | C26 H33 F N4 O4 S | Cc1c(scn1).... |
2 | 4W9J | Kd = 0.588 uM | 3JH | C30 H43 N5 O5 S | Cc1c(scn1).... |
3 | 6GFZ | Kd = 3080 nM | EXE | C24 H31 F N4 O4 S | Cc1c(scn1).... |
4 | 5NW1 | Kd = 210 nM | 9BH | C27 H36 N4 O4 S | Cc1c(scn1).... |
5 | 5LLI | Kd = 90 nM | 6Z3 | C27 H33 N5 O4 S | Cc1c(scn1).... |
6 | 5NVV | Kd = 105 nM | 9BT | C24 H32 N4 O5 S | Cc1c(scn1).... |
7 | 4W9L | Kd = 9.52 uM | 3JJ | C30 H43 N5 O5 S | Cc1c(scn1).... |
8 | 4W9C | Kd = 22.2 uM | 3JG | C21 H27 N3 O4 | CC(C)(C)CC.... |
9 | 5NW0 | Kd = 128 nM | 9BK | C28 H37 N5 O5 S | Cc1c(scn1).... |
10 | 5NVW | Kd = 132 nM | 9BW | C26 H34 N4 O4 S | Cc1c(scn1).... |
11 | 4W9D | Kd = 10.2 uM | 3JK | C22 H29 N3 O4 | Cc1c(ocn1).... |
12 | 4AWJ | Kd ~ 10000 uM | V6F | C8 H14 N2 O3 | CC(=O)N1C[.... |
13 | 6FMJ | Kd = 0.76 uM | DV5 | C21 H26 N4 O3 S2 | Cc1c(scn1).... |
14 | 4W9I | Kd = 1.1 uM | 3JS | C23 H28 N4 O5 S | Cc1c(scn1).... |
15 | 5NW2 | Kd = 232 nM | 9B8 | C26 H34 N4 O5 S | Cc1c(scn1).... |
16 | 4BKT | Kd = 240 uM | QD0 | C12 H17 N3 O4 | Cc1cc(on1).... |
17 | 4W9K | Kd = 0.291 uM | 3JO | C33 H41 N5 O5 S | Cc1c(scn1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PHT | 0.9392 |
2 | GLY PRO | 0.9369 |
3 | AIN | 0.9339 |
4 | NTM | 0.9335 |
5 | KLW | 0.9307 |
6 | PRZ | 0.9272 |
7 | FLC | 0.9203 |
8 | ENL | 0.9180 |
9 | 329 | 0.9173 |
10 | 0GY | 0.9165 |
11 | URC | 0.9150 |
12 | KIB | 0.9141 |
13 | CDV | 0.9126 |
14 | S3B | 0.9125 |
15 | GV9 | 0.9119 |
16 | PXL | 0.9107 |
17 | CIT | 0.9103 |
18 | 60Q | 0.9077 |
19 | ICT | 0.9071 |
20 | NFQ | 0.9064 |
21 | 8XQ | 0.9061 |
22 | 8TX | 0.9058 |
23 | AH8 | 0.9057 |
24 | QAT | 0.9053 |
25 | 7ZE | 0.9048 |
26 | GZ8 | 0.9044 |
27 | YQA | 0.9034 |
28 | GTZ | 0.9023 |
29 | DOR | 0.9019 |
30 | GLC | 0.9019 |
31 | NCD | 0.9013 |
32 | GLY LEU | 0.9006 |
33 | GLY ASP | 0.9003 |
34 | GUN | 0.8995 |
35 | HJP | 0.8991 |
36 | 9MG | 0.8991 |
37 | ORO | 0.8985 |
38 | GAL | 0.8984 |
39 | M3S | 0.8983 |
40 | GM7 | 0.8979 |
41 | 2MN | 0.8979 |
42 | TRA | 0.8979 |
43 | EKN | 0.8979 |
44 | ALA PRO | 0.8978 |
45 | 9DG | 0.8978 |
46 | AME | 0.8978 |
47 | SLC | 0.8977 |
48 | XAN | 0.8977 |
49 | KIA | 0.8971 |
50 | SR4 | 0.8969 |
51 | II6 | 0.8969 |
52 | 3MG | 0.8969 |
53 | BGC | 0.8968 |
54 | ZZ8 | 0.8967 |
55 | GTL | 0.8965 |
56 | MBG | 0.8965 |
57 | Z5P | 0.8959 |
58 | 1AL | 0.8959 |
59 | AKH | 0.8956 |
60 | QAS | 0.8948 |
61 | X8Z | 0.8940 |
62 | Q6T | 0.8939 |
63 | DBJ | 0.8938 |
64 | LT8 | 0.8938 |
65 | GCS | 0.8934 |
66 | S76 | 0.8932 |
67 | ASC | 0.8930 |
68 | G3F | 0.8927 |
69 | JKZ | 0.8925 |
70 | 34D | 0.8925 |
71 | IJZ | 0.8923 |
72 | OXC | 0.8922 |
73 | V55 | 0.8920 |
74 | FOT | 0.8920 |
75 | F69 | 0.8920 |
76 | 6XI | 0.8917 |
77 | 4ME | 0.8916 |
78 | HNQ | 0.8912 |
79 | 8VE | 0.8912 |
80 | LSA | 0.8911 |
81 | CCB | 0.8910 |
82 | 1U1 | 0.8910 |
83 | B55 | 0.8909 |
84 | HA7 | 0.8909 |
85 | GJS | 0.8908 |
86 | GYE | 0.8905 |
87 | 42C | 0.8905 |
88 | 7VS | 0.8904 |
89 | 5WX | 0.8903 |
90 | TRC | 0.8901 |
91 | D1X | 0.8899 |
92 | 2CG | 0.8897 |
93 | XQK | 0.8896 |
94 | F12 | 0.8891 |
95 | 4TE | 0.8889 |
96 | S7B | 0.8888 |
97 | 5WY | 0.8888 |
98 | 61O | 0.8887 |
99 | QPR | 0.8887 |
100 | YSO | 0.8884 |
101 | C2U | 0.8883 |
102 | 3S4 | 0.8881 |
103 | SHG | 0.8880 |
104 | 8S0 | 0.8879 |
105 | MFU | 0.8875 |
106 | VNL | 0.8872 |
107 | 5RG | 0.8871 |
108 | K3Q | 0.8870 |
109 | IPZ | 0.8869 |
110 | HH5 | 0.8869 |
111 | HLD | 0.8867 |
112 | UEG | 0.8867 |
113 | N7P | 0.8867 |
114 | DQA | 0.8861 |
115 | 7A2 | 0.8859 |
116 | 3MA | 0.8854 |
117 | AOR | 0.8852 |
118 | EV0 | 0.8852 |
119 | FA6 | 0.8851 |
120 | YH7 | 0.8850 |
121 | SXS | 0.8850 |
122 | 2A7 | 0.8849 |
123 | QM1 | 0.8847 |
124 | 2ZQ | 0.8846 |
125 | K2P | 0.8842 |
126 | AUD | 0.8839 |
127 | OTD | 0.8838 |
128 | 1X7 | 0.8838 |
129 | Q88 | 0.8838 |
130 | MMA | 0.8835 |
131 | ECG | 0.8834 |
132 | 39U | 0.8833 |
133 | UAN | 0.8832 |
134 | AN0 | 0.8830 |
135 | SF6 | 0.8830 |
136 | N8P | 0.8830 |
137 | BOA | 0.8828 |
138 | 1XM | 0.8827 |
139 | AZG | 0.8823 |
140 | MVL | 0.8823 |
141 | ALA LEU | 0.8822 |
142 | 8WQ | 0.8822 |
143 | AZA | 0.8821 |
144 | J01 | 0.8820 |
145 | 5JQ | 0.8817 |
146 | CKX | 0.8816 |
147 | 3C2 | 0.8815 |
148 | 3IT | 0.8815 |
149 | GOG | 0.8813 |
150 | 75K | 0.8813 |
151 | 0GZ | 0.8812 |
152 | DNC | 0.8811 |
153 | YIO | 0.8811 |
154 | VOH | 0.8811 |
155 | LGC | 0.8810 |
156 | 512 | 0.8809 |
157 | SF9 | 0.8807 |
158 | BDF | 0.8807 |
159 | ZWZ | 0.8807 |
160 | 692 | 0.8806 |
161 | FA3 | 0.8805 |
162 | 8IG | 0.8802 |
163 | 0CU | 0.8802 |
164 | 12M | 0.8802 |
165 | 7WR | 0.8802 |
166 | FPK | 0.8801 |
167 | 6CS | 0.8799 |
168 | 49N | 0.8799 |
169 | AS3 | 0.8798 |
170 | 141 | 0.8798 |
171 | FRU | 0.8798 |
172 | M1E | 0.8794 |
173 | GCO | 0.8793 |
174 | NZ3 | 0.8792 |
175 | BMA | 0.8792 |
176 | GTC | 0.8791 |
177 | 2H5 | 0.8790 |
178 | 5JL | 0.8790 |
179 | NSG | 0.8790 |
180 | GNL | 0.8790 |
181 | XAZ | 0.8789 |
182 | AW5 | 0.8789 |
183 | 8GK | 0.8788 |
184 | JR2 | 0.8786 |
185 | D07 | 0.8780 |
186 | M1H | 0.8780 |
187 | P4B | 0.8780 |
188 | 9KH | 0.8779 |
189 | M0Q | 0.8778 |
190 | DX4 | 0.8777 |
191 | 3C1 | 0.8776 |
192 | 2FG | 0.8774 |
193 | AX3 | 0.8772 |
194 | 12B | 0.8769 |
195 | VPR | 0.8768 |
196 | GOX | 0.8767 |
197 | ADK | 0.8764 |
198 | TVP | 0.8762 |
199 | BTY | 0.8761 |
200 | FBG | 0.8756 |
201 | NGT | 0.8755 |
202 | 1FF | 0.8754 |
203 | KFH | 0.8751 |
204 | GT0 | 0.8750 |
205 | MAN | 0.8750 |
206 | M0W | 0.8749 |
207 | GTR | 0.8744 |
208 | A2F | 0.8744 |
209 | 149 | 0.8743 |
210 | KG1 | 0.8743 |
211 | O2A | 0.8742 |
212 | GIV | 0.8740 |
213 | 7D2 | 0.8739 |
214 | 7NI | 0.8737 |
215 | BDP | 0.8735 |
216 | IGA | 0.8735 |
217 | SHA | 0.8732 |
218 | DHK | 0.8732 |
219 | TWO | 0.8731 |
220 | 290 | 0.8731 |
221 | A13 | 0.8730 |
222 | 2AL | 0.8729 |
223 | 293 | 0.8729 |
224 | Q24 | 0.8729 |
225 | G4D | 0.8727 |
226 | BCP | 0.8719 |
227 | GLA | 0.8719 |
228 | CFP | 0.8717 |
229 | 6AP | 0.8717 |
230 | X09 | 0.8716 |
231 | BK9 | 0.8714 |
232 | PDC | 0.8714 |
233 | 6LW | 0.8710 |
234 | OEM | 0.8710 |
235 | 40H | 0.8710 |
236 | NZ2 | 0.8709 |
237 | PCV | 0.8707 |
238 | GCB | 0.8707 |
239 | GIO | 0.8707 |
240 | NGO | 0.8706 |
241 | HLZ | 0.8704 |
242 | NIG | 0.8704 |
243 | F0J | 0.8703 |
244 | PA1 | 0.8703 |
245 | 4XV | 0.8702 |
246 | UNC | 0.8701 |
247 | ZZ3 | 0.8697 |
248 | LFR | 0.8693 |
249 | K3Y | 0.8692 |
250 | 1GN | 0.8692 |
251 | SER PRO | 0.8690 |
252 | XQG | 0.8689 |
253 | MIC | 0.8688 |
254 | CKU | 0.8687 |
255 | TFU | 0.8687 |
256 | R9S | 0.8686 |
257 | 2TQ | 0.8685 |
258 | HHT | 0.8681 |
259 | AZ8 | 0.8677 |
260 | 5HY | 0.8677 |
261 | DIE | 0.8676 |
262 | FBU | 0.8676 |
263 | IPM | 0.8674 |
264 | FP1 | 0.8672 |
265 | 790 | 0.8671 |
266 | SWA | 0.8671 |
267 | 8VN | 0.8667 |
268 | 8EZ | 0.8663 |
269 | I3A | 0.8662 |
270 | 256 | 0.8658 |
271 | GDE | 0.8657 |
272 | 9PY | 0.8657 |
273 | QIC | 0.8656 |
274 | EMZ | 0.8656 |
275 | AMG | 0.8656 |
276 | PE0 | 0.8655 |
277 | NID | 0.8648 |
278 | ES0 | 0.8646 |
279 | DIU | 0.8646 |
280 | 261 | 0.8642 |
281 | 1Z8 | 0.8641 |
282 | EVA | 0.8641 |
283 | ISD | 0.8639 |
284 | SKM | 0.8639 |
285 | GLG | 0.8638 |
286 | JTH | 0.8636 |
287 | GCU | 0.8634 |
288 | FYU | 0.8632 |
289 | KT7 | 0.8631 |
290 | M3Q | 0.8626 |
291 | AM1 | 0.8624 |
292 | AHR | 0.8624 |
293 | X6X | 0.8622 |
294 | 210 | 0.8619 |
295 | 49O | 0.8609 |
296 | AHD | 0.8607 |
297 | 3DM | 0.8606 |
298 | KDO | 0.8604 |
299 | DBH | 0.8599 |
300 | 52C | 0.8597 |
301 | 6VD | 0.8597 |
302 | 23J | 0.8596 |
303 | C9E | 0.8596 |
304 | CWM | 0.8593 |
305 | 6W6 | 0.8592 |
306 | G5V | 0.8591 |
307 | MEW | 0.8586 |
308 | 4MU | 0.8584 |
309 | M5K | 0.8583 |
310 | FUL | 0.8583 |
311 | KP6 | 0.8581 |
312 | EUG | 0.8578 |
313 | 4M4 | 0.8578 |
314 | 2PG | 0.8575 |
315 | AQO | 0.8574 |
316 | 2J9 | 0.8574 |
317 | AJ2 | 0.8571 |
318 | 2D0 | 0.8569 |
319 | 4CS | 0.8567 |
320 | 2LP | 0.8564 |
321 | ZB1 | 0.8556 |
322 | ARW | 0.8556 |
323 | 57O | 0.8552 |
324 | NVU | 0.8550 |
325 | NGW | 0.8542 |
326 | FDK | 0.8540 |
327 | 3AL | 0.8534 |
328 | NLA | 0.8533 |
329 | FH2 | 0.8533 |
330 | GXL | 0.8531 |
331 | 44V | 0.8529 |
332 | MS9 | 0.8525 |
333 | 5PX | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 5nvx.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5nvx.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5nvx.bio4) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5nvx.bio3) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |