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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 6 families. | |||||
1 | 1QVJ | - | RP5 | C5 H11 O8 P | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 1QVJ | - | RP5 | C5 H11 O8 P | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | RP5 | 1 | 1 |
2 | ABF | 1 | 1 |
3 | HSX | 1 | 1 |
4 | BGP | 0.8 | 0.902439 |
5 | M6P | 0.8 | 0.902439 |
6 | G6P | 0.8 | 0.902439 |
7 | BG6 | 0.8 | 0.902439 |
8 | M6D | 0.8 | 0.902439 |
9 | A6P | 0.8 | 0.902439 |
10 | AHG | 0.676471 | 0.880952 |
11 | 4R1 | 0.634146 | 0.755102 |
12 | GLP | 0.634146 | 0.755102 |
13 | RF5 | 0.615385 | 0.883721 |
14 | 50A | 0.615385 | 0.883721 |
15 | GRF | 0.589744 | 0.76 |
16 | NNG | 0.565217 | 0.685185 |
17 | 4QY | 0.553191 | 0.685185 |
18 | 16G | 0.553191 | 0.685185 |
19 | BMX | 0.553191 | 0.685185 |
20 | FDQ | 0.547619 | 0.860465 |
21 | RI2 | 0.534884 | 0.95 |
22 | PRP | 0.5 | 0.975 |
23 | G16 | 0.5 | 0.860465 |
24 | D6G | 0.5 | 0.860465 |
25 | N | 0.47619 | 0.860465 |
26 | PPC | 0.469388 | 0.906977 |
27 | RIB | 0.441176 | 0.675 |
28 | FUB | 0.441176 | 0.675 |
29 | AHR | 0.441176 | 0.675 |
30 | BDR | 0.441176 | 0.675 |
31 | Z6J | 0.441176 | 0.675 |
32 | 32O | 0.441176 | 0.675 |
33 | IRN | 0.425926 | 0.606557 |
34 | QIF | 0.425532 | 0.860465 |
35 | FGR | 0.410714 | 0.655172 |
36 | TA6 | 0.404255 | 0.906977 |
37 | AHR AHR | 0.404255 | 0.690476 |
38 | F6P | 0.404255 | 0.906977 |
39 | BNX | 0.4 | 0.880952 |
40 | ALX | 0.4 | 0.880952 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RP3 | 0.9574 |
2 | 8U3 | 0.9336 |
3 | 1PS | 0.9250 |
4 | KPA | 0.9229 |
5 | MES | 0.9190 |
6 | SG3 | 0.9187 |
7 | F98 | 0.9186 |
8 | LX1 | 0.9150 |
9 | DHY | 0.9149 |
10 | PMV | 0.9148 |
11 | 1X4 | 0.9142 |
12 | S7A | 0.9134 |
13 | 4TP | 0.9111 |
14 | PLR | 0.9109 |
15 | ZON | 0.9104 |
16 | MMS | 0.9098 |
17 | DER | 0.9089 |
18 | IOS | 0.9089 |
19 | TZP | 0.9087 |
20 | STT | 0.9076 |
21 | ALE | 0.9072 |
22 | HJH | 0.9066 |
23 | TU0 | 0.9055 |
24 | EVF | 0.9053 |
25 | PLP | 0.9040 |
26 | D5X | 0.9038 |
27 | P80 | 0.9034 |
28 | E4P | 0.9028 |
29 | A5P | 0.9023 |
30 | 2JJ | 0.9016 |
31 | F1P | 0.9011 |
32 | MP5 | 0.9000 |
33 | FOM | 0.8995 |
34 | XIZ | 0.8993 |
35 | DHC | 0.8993 |
36 | DXP | 0.8984 |
37 | DAH | 0.8984 |
38 | TCA | 0.8984 |
39 | PO6 | 0.8981 |
40 | 36E | 0.8978 |
41 | 3LJ | 0.8977 |
42 | 3C4 | 0.8977 |
43 | P7Y | 0.8976 |
44 | XXG | 0.8975 |
45 | ASC | 0.8972 |
46 | TZM | 0.8972 |
47 | 2HC | 0.8971 |
48 | YTX | 0.8964 |
49 | LVD | 0.8958 |
50 | ESX | 0.8953 |
51 | DEZ | 0.8940 |
52 | R5P | 0.8939 |
53 | TOH | 0.8936 |
54 | M1P | 0.8936 |
55 | F06 | 0.8935 |
56 | QUS | 0.8934 |
57 | B41 | 0.8933 |
58 | 61M | 0.8931 |
59 | Q04 | 0.8929 |
60 | AX3 | 0.8925 |
61 | 3PG | 0.8925 |
62 | 5RP | 0.8916 |
63 | X1P | 0.8912 |
64 | SHI | 0.8905 |
65 | 6DP | 0.8904 |
66 | GFP | 0.8898 |
67 | EYV | 0.8897 |
68 | XRS | 0.8895 |
69 | GZ2 | 0.8895 |
70 | 6J5 | 0.8894 |
71 | CXP | 0.8894 |
72 | O45 | 0.8892 |
73 | HCI | 0.8890 |
74 | BZ2 | 0.8889 |
75 | R2P | 0.8888 |
76 | EXD | 0.8885 |
77 | OOG | 0.8884 |
78 | 1BN | 0.8876 |
79 | KYN | 0.8876 |
80 | TLM | 0.8874 |
81 | 1L5 | 0.8874 |
82 | XQI | 0.8874 |
83 | ICB | 0.8873 |
84 | 2LT | 0.8872 |
85 | DLT | 0.8872 |
86 | AMQ | 0.8868 |
87 | SYE | 0.8864 |
88 | PHE | 0.8864 |
89 | Q9Z | 0.8862 |
90 | ATX | 0.8858 |
91 | APS | 0.8856 |
92 | FK8 | 0.8855 |
93 | PPY | 0.8854 |
94 | TYR | 0.8853 |
95 | TL6 | 0.8851 |
96 | DI6 | 0.8849 |
97 | NFA | 0.8847 |
98 | S2P | 0.8846 |
99 | JVA | 0.8845 |
100 | YOF | 0.8843 |
101 | GPM | 0.8842 |
102 | AVI | 0.8839 |
103 | ZZU | 0.8837 |
104 | DTY | 0.8836 |
105 | CLU | 0.8834 |
106 | SYC | 0.8833 |
107 | 9YT | 0.8832 |
108 | HXY | 0.8826 |
109 | HPS | 0.8825 |
110 | PC | 0.8824 |
111 | HFA | 0.8823 |
112 | ARG | 0.8823 |
113 | MAJ | 0.8823 |
114 | 5SP | 0.8822 |
115 | DX5 | 0.8822 |
116 | HL4 | 0.8821 |
117 | EGR | 0.8821 |
118 | RLG | 0.8821 |
119 | ESP | 0.8821 |
120 | 5WN | 0.8820 |
121 | MF3 | 0.8816 |
122 | LNR | 0.8816 |
123 | HG3 | 0.8815 |
124 | MSL | 0.8815 |
125 | 6FZ | 0.8814 |
126 | P81 | 0.8813 |
127 | 11C | 0.8812 |
128 | 1VQ | 0.8810 |
129 | GWM | 0.8809 |
130 | 5WZ | 0.8808 |
131 | B85 | 0.8806 |
132 | N9J | 0.8806 |
133 | TYE | 0.8804 |
134 | LDP | 0.8802 |
135 | BRH | 0.8801 |
136 | J0Z | 0.8798 |
137 | M6H | 0.8796 |
138 | PMP | 0.8795 |
139 | IPD | 0.8795 |
140 | TB8 | 0.8794 |
141 | GZL | 0.8794 |
142 | F1X | 0.8790 |
143 | 9W5 | 0.8788 |
144 | KTA | 0.8787 |
145 | L21 | 0.8784 |
146 | HC4 | 0.8782 |
147 | S8V | 0.8782 |
148 | N2M | 0.8781 |
149 | 2VQ | 0.8776 |
150 | KG1 | 0.8775 |
151 | DPN | 0.8773 |
152 | MXD | 0.8773 |
153 | PXP | 0.8772 |
154 | PLP PMP | 0.8772 |
155 | M1Z | 0.8770 |
156 | B40 | 0.8770 |
157 | DIR | 0.8769 |
158 | PBA | 0.8767 |
159 | NQH | 0.8767 |
160 | RES | 0.8767 |
161 | TOM | 0.8767 |
162 | I2E | 0.8766 |
163 | M3Q | 0.8765 |
164 | PBN | 0.8764 |
165 | S0W | 0.8763 |
166 | 54F | 0.8760 |
167 | ESI | 0.8760 |
168 | NNH | 0.8758 |
169 | TYC | 0.8758 |
170 | GL1 | 0.8757 |
171 | TMG | 0.8757 |
172 | HIS | 0.8756 |
173 | TRP | 0.8755 |
174 | GGB | 0.8754 |
175 | 56D | 0.8754 |
176 | SG2 | 0.8753 |
177 | HNK | 0.8753 |
178 | UN1 | 0.8753 |
179 | 4LW | 0.8752 |
180 | SEP | 0.8750 |
181 | SR1 | 0.8748 |
182 | EYJ | 0.8748 |
183 | 4HP | 0.8746 |
184 | HPT | 0.8745 |
185 | SLY | 0.8745 |
186 | NCT | 0.8745 |
187 | MPV | 0.8743 |
188 | ZEC | 0.8740 |
189 | API | 0.8739 |
190 | 9PL | 0.8737 |
191 | IYR | 0.8737 |
192 | 1A7 | 0.8737 |
193 | 0W1 | 0.8736 |
194 | ENO | 0.8736 |
195 | M5E | 0.8736 |
196 | Q06 | 0.8734 |
197 | UA5 | 0.8734 |
198 | YZM | 0.8734 |
199 | 9BF | 0.8733 |
200 | 263 | 0.8733 |
201 | GP1 | 0.8733 |
202 | KTW | 0.8732 |
203 | 88L | 0.8730 |
204 | FWD | 0.8729 |
205 | IAC | 0.8729 |
206 | 2O6 | 0.8728 |
207 | 9B3 | 0.8727 |
208 | G1P | 0.8727 |
209 | 4SX | 0.8726 |
210 | I4D | 0.8725 |
211 | 33S | 0.8722 |
212 | LSQ | 0.8721 |
213 | NSB | 0.8720 |
214 | 4LV | 0.8718 |
215 | JF1 | 0.8716 |
216 | XYH | 0.8715 |
217 | M3P | 0.8714 |
218 | PFF | 0.8713 |
219 | TSR | 0.8713 |
220 | 42J | 0.8713 |
221 | A29 | 0.8713 |
222 | NPA | 0.8710 |
223 | GNW | 0.8709 |
224 | SKF | 0.8708 |
225 | GTK | 0.8705 |
226 | BZE | 0.8704 |
227 | AMR | 0.8704 |
228 | 0QW | 0.8704 |
229 | 6HP | 0.8701 |
230 | C82 | 0.8700 |
231 | GJK | 0.8696 |
232 | AAN | 0.8695 |
233 | QMS | 0.8694 |
234 | 3QO | 0.8693 |
235 | O2Y | 0.8693 |
236 | 505 | 0.8692 |
237 | AEH | 0.8690 |
238 | HX8 | 0.8690 |
239 | BPY | 0.8689 |
240 | IL5 | 0.8687 |
241 | 4BY | 0.8684 |
242 | 2BX | 0.8684 |
243 | 7VY | 0.8684 |
244 | QH3 | 0.8681 |
245 | TPO | 0.8680 |
246 | CFA | 0.8676 |
247 | DDU | 0.8676 |
248 | ZIQ | 0.8675 |
249 | IVL | 0.8674 |
250 | 5OO | 0.8673 |
251 | L22 | 0.8673 |
252 | 173 | 0.8672 |
253 | GVG | 0.8670 |
254 | LIP | 0.8670 |
255 | 268 | 0.8670 |
256 | CXH | 0.8669 |
257 | MJ5 | 0.8667 |
258 | CWD | 0.8667 |
259 | JRB | 0.8666 |
260 | BNF | 0.8665 |
261 | YO5 | 0.8665 |
262 | TYL | 0.8663 |
263 | XDK | 0.8663 |
264 | FPL | 0.8660 |
265 | OSE | 0.8659 |
266 | CIR | 0.8658 |
267 | 7C3 | 0.8658 |
268 | R20 | 0.8657 |
269 | PHI | 0.8655 |
270 | TT4 | 0.8655 |
271 | IOP | 0.8654 |
272 | QMP | 0.8652 |
273 | URO | 0.8651 |
274 | MZT | 0.8651 |
275 | HX4 | 0.8649 |
276 | AEG | 0.8649 |
277 | R1P | 0.8649 |
278 | 7Q1 | 0.8648 |
279 | M4T | 0.8648 |
280 | K7M | 0.8646 |
281 | GLU | 0.8646 |
282 | 9F8 | 0.8646 |
283 | AOT | 0.8643 |
284 | DHM | 0.8641 |
285 | 1VK | 0.8639 |
286 | 4XF | 0.8637 |
287 | AKG | 0.8637 |
288 | HPP | 0.8636 |
289 | FER | 0.8636 |
290 | DTR | 0.8636 |
291 | CH8 | 0.8636 |
292 | GO2 | 0.8634 |
293 | 363 | 0.8633 |
294 | CIY | 0.8633 |
295 | SLS | 0.8632 |
296 | PRA | 0.8631 |
297 | PAL | 0.8631 |
298 | HJ8 | 0.8630 |
299 | HIC | 0.8630 |
300 | AC2 | 0.8629 |
301 | 57O | 0.8628 |
302 | YPN | 0.8627 |
303 | 0A9 | 0.8627 |
304 | JZA | 0.8626 |
305 | N7I | 0.8623 |
306 | X48 | 0.8621 |
307 | 2CZ | 0.8621 |
308 | 3HP | 0.8621 |
309 | FF2 | 0.8620 |
310 | 78U | 0.8619 |
311 | 6HO | 0.8616 |
312 | NLQ | 0.8615 |
313 | 7QS | 0.8615 |
314 | 2KU | 0.8613 |
315 | BNL | 0.8613 |
316 | AVJ | 0.8612 |
317 | Q02 | 0.8611 |
318 | JVN | 0.8606 |
319 | BTM | 0.8606 |
320 | NYL | 0.8602 |
321 | 7ZL | 0.8600 |
322 | 92G | 0.8598 |
323 | K80 | 0.8598 |
324 | P58 | 0.8597 |
325 | 5PV | 0.8596 |
326 | LYS | 0.8593 |
327 | AHC | 0.8593 |
328 | X04 | 0.8590 |
329 | 8NB | 0.8588 |
330 | GLY GLY GLY | 0.8585 |
331 | Q03 | 0.8584 |
332 | PPT | 0.8584 |
333 | 4PN | 0.8582 |
334 | R9G | 0.8580 |
335 | LUQ | 0.8580 |
336 | A9P | 0.8579 |
337 | F90 | 0.8577 |
338 | 26E | 0.8575 |
339 | 1FD | 0.8575 |
340 | A5E | 0.8574 |
341 | 4TB | 0.8572 |
342 | 4FP | 0.8570 |
343 | CAX | 0.8566 |
344 | 41K | 0.8562 |
345 | JND | 0.8562 |
346 | IWD | 0.8561 |
347 | JF2 | 0.8561 |
348 | JV4 | 0.8559 |
349 | CH9 | 0.8558 |
350 | BWD | 0.8556 |
351 | HHI | 0.8549 |
352 | MLZ | 0.8549 |
353 | 4FE | 0.8545 |
354 | EMZ | 0.8540 |
355 | 12T | 0.8540 |
356 | DZA | 0.8536 |
357 | J9Y | 0.8529 |
358 | 9SE | 0.8523 |
359 | 2OR | 0.8510 |
360 | HHH | 0.8503 |
This union binding pocket(no: 1) in the query (biounit: 1qvj.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |