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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 7 families. | |||||
1 | 3K8C | - | RES | C4 H10 N O8 P | C([C@H]([C.... |
2 | 3K7S | - | R52 | C5 H11 O8 P | C([C@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 3PH3 | - | RB5 | C5 H10 O5 | C([C@H]([C.... |
2 | 3PH4 | - | AOS | C6 H12 O6 | C([C@H]([C.... |
3 | 2VVQ | - | R10 | C5 H11 O9 P | C([C@H]([C.... |
4 | 2VVO | ic50 = 6.3 mM | A6P | C6 H13 O9 P | C([C@@H]1[.... |
5 | 2VVP | - | R52 | C5 H11 O8 P | C([C@H]([C.... |
6 | 2BES | Ki = 0.057 mM | RES | C4 H10 N O8 P | C([C@H]([C.... |
7 | 2BET | Ki = 1.7 mM | DEZ | C4 H9 O8 P | C([C@H]([C.... |
8 | 3HEE | - | R5P | C5 H11 O8 P | C(C(C(C(C=.... |
9 | 3K8C | - | RES | C4 H10 N O8 P | C([C@H]([C.... |
10 | 3K7S | - | R52 | C5 H11 O8 P | C([C@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | RES | 1 | 1 |
2 | PAN | 0.634146 | 1 |
3 | DEZ | 0.578947 | 0.702128 |
4 | DER | 0.578947 | 0.702128 |
5 | DXP | 0.564103 | 0.645833 |
6 | 5SP | 0.536585 | 0.673469 |
7 | HMS | 0.536585 | 0.673469 |
8 | 5RP | 0.536585 | 0.673469 |
9 | RUB | 0.52381 | 0.666667 |
10 | XBP | 0.52381 | 0.666667 |
11 | 9C2 | 0.478261 | 0.897959 |
12 | TX4 | 0.47619 | 0.956522 |
13 | HG3 | 0.472222 | 0.617021 |
14 | PA5 | 0.465116 | 0.702128 |
15 | R10 | 0.465116 | 0.702128 |
16 | EHM | 0.447368 | 0.765957 |
17 | M2P | 0.447368 | 0.680851 |
18 | GOS | 0.447368 | 0.680851 |
19 | F6R | 0.444444 | 0.6875 |
20 | LG6 | 0.444444 | 0.702128 |
21 | TG6 | 0.444444 | 0.6875 |
22 | 6PG | 0.444444 | 0.702128 |
23 | 4TP | 0.44186 | 0.8125 |
24 | P6T | 0.425532 | 0.702128 |
25 | I22 | 0.425532 | 0.6875 |
26 | 2FP | 0.425532 | 0.702128 |
27 | P6F | 0.425532 | 0.702128 |
28 | O1B | 0.423077 | 0.777778 |
29 | E4P | 0.414634 | 0.673913 |
30 | A5P | 0.404762 | 0.632653 |
31 | LXP | 0.404762 | 0.632653 |
32 | LX1 | 0.404762 | 0.645833 |
33 | DX5 | 0.404762 | 0.632653 |
34 | 3PG | 0.4 | 0.659574 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PML | 1.0000 |
2 | R52 | 0.9938 |
3 | R5P | 0.9798 |
4 | HSA | 0.9322 |
5 | D5X | 0.9321 |
6 | 2JJ | 0.9313 |
7 | DG6 | 0.9284 |
8 | 1AE | 0.9280 |
9 | PLR | 0.9249 |
10 | PLP | 0.9219 |
11 | EUE | 0.9188 |
12 | AHC | 0.9142 |
13 | 4NP | 0.9134 |
14 | GGG | 0.9128 |
15 | HC4 | 0.9127 |
16 | 4NS | 0.9118 |
17 | TYR | 0.9114 |
18 | PPT | 0.9105 |
19 | BCH | 0.9104 |
20 | 1PS | 0.9103 |
21 | EUH | 0.9102 |
22 | F98 | 0.9101 |
23 | PTB | 0.9101 |
24 | SG3 | 0.9088 |
25 | AZM | 0.9084 |
26 | JA5 | 0.9084 |
27 | 2O8 | 0.9077 |
28 | MRU | 0.9070 |
29 | IOS | 0.9069 |
30 | LUQ | 0.9057 |
31 | G6Q | 0.9057 |
32 | P81 | 0.9053 |
33 | STT | 0.9052 |
34 | ZEC | 0.9044 |
35 | LO1 | 0.9037 |
36 | PMV | 0.9030 |
37 | P9E | 0.9030 |
38 | FOM | 0.9029 |
39 | S0W | 0.9027 |
40 | EGV | 0.9015 |
41 | K4V | 0.9011 |
42 | PNP | 0.9005 |
43 | MP5 | 0.9002 |
44 | AGP | 0.9002 |
45 | M6R | 0.8999 |
46 | GHQ | 0.8989 |
47 | UA5 | 0.8984 |
48 | ATX | 0.8982 |
49 | 657 | 0.8973 |
50 | STX | 0.8972 |
51 | BGT | 0.8972 |
52 | ENO | 0.8969 |
53 | SSC | 0.8964 |
54 | 0FA | 0.8961 |
55 | S0E | 0.8957 |
56 | HPP | 0.8954 |
57 | DHM | 0.8953 |
58 | CFA | 0.8950 |
59 | C82 | 0.8950 |
60 | HSX | 0.8950 |
61 | IS2 | 0.8950 |
62 | 9VQ | 0.8946 |
63 | DA3 | 0.8944 |
64 | GLR | 0.8944 |
65 | 4JE | 0.8941 |
66 | DXG | 0.8941 |
67 | 88L | 0.8938 |
68 | 86L | 0.8936 |
69 | ZON | 0.8936 |
70 | 11C | 0.8932 |
71 | PJL | 0.8932 |
72 | 1FD | 0.8929 |
73 | 4FE | 0.8927 |
74 | 0A1 | 0.8925 |
75 | X1R | 0.8923 |
76 | DTY | 0.8923 |
77 | MZM | 0.8922 |
78 | 36M | 0.8921 |
79 | EYJ | 0.8917 |
80 | 7UC | 0.8915 |
81 | 6FG | 0.8915 |
82 | CS2 | 0.8910 |
83 | YIE | 0.8909 |
84 | RGP | 0.8908 |
85 | EYV | 0.8904 |
86 | 5LD | 0.8902 |
87 | TZP | 0.8901 |
88 | PSJ | 0.8900 |
89 | 8V8 | 0.8900 |
90 | RYV | 0.8897 |
91 | S6P | 0.8897 |
92 | 40F | 0.8896 |
93 | Y3L | 0.8895 |
94 | PPK | 0.8892 |
95 | 9GB | 0.8891 |
96 | 3W8 | 0.8891 |
97 | ENW | 0.8888 |
98 | AES | 0.8887 |
99 | 1X4 | 0.8884 |
100 | N4E | 0.8883 |
101 | I2E | 0.8883 |
102 | GWM | 0.8882 |
103 | LLH | 0.8880 |
104 | QIV | 0.8879 |
105 | LAO | 0.8877 |
106 | EPE | 0.8872 |
107 | S24 | 0.8872 |
108 | SOL | 0.8868 |
109 | GCO | 0.8866 |
110 | OOG | 0.8860 |
111 | 4MB | 0.8856 |
112 | PRO GLY | 0.8856 |
113 | GB5 | 0.8854 |
114 | YI6 | 0.8854 |
115 | Z70 | 0.8852 |
116 | MVH | 0.8852 |
117 | 5OY | 0.8850 |
118 | DED | 0.8848 |
119 | IOP | 0.8847 |
120 | 3VS | 0.8845 |
121 | GLO | 0.8845 |
122 | BL0 | 0.8844 |
123 | G88 | 0.8844 |
124 | 2OR | 0.8843 |
125 | ABF | 0.8841 |
126 | GLY GLY GLY | 0.8840 |
127 | HLP | 0.8839 |
128 | RNO | 0.8838 |
129 | E1P | 0.8838 |
130 | 54Z | 0.8837 |
131 | 0F3 | 0.8834 |
132 | 4CM | 0.8833 |
133 | 6ZX | 0.8833 |
134 | G6P | 0.8832 |
135 | PC | 0.8832 |
136 | 4FP | 0.8831 |
137 | GGB | 0.8830 |
138 | 2NP | 0.8830 |
139 | RP3 | 0.8830 |
140 | GAE | 0.8829 |
141 | 9J6 | 0.8827 |
142 | AHN | 0.8827 |
143 | S7D | 0.8824 |
144 | 5TO | 0.8824 |
145 | 5OO | 0.8824 |
146 | EVF | 0.8823 |
147 | HXY | 0.8822 |
148 | EZL | 0.8822 |
149 | PAU | 0.8820 |
150 | KLS | 0.8817 |
151 | REL | 0.8817 |
152 | TAG | 0.8812 |
153 | IPE | 0.8811 |
154 | 5O6 | 0.8811 |
155 | 3PO | 0.8810 |
156 | EE8 | 0.8810 |
157 | 6C4 | 0.8809 |
158 | 7O4 | 0.8805 |
159 | IVL | 0.8805 |
160 | B41 | 0.8803 |
161 | 58X | 0.8802 |
162 | XRX | 0.8801 |
163 | SWX | 0.8797 |
164 | API | 0.8796 |
165 | P80 | 0.8795 |
166 | ARG | 0.8794 |
167 | VC3 | 0.8792 |
168 | D6P | 0.8791 |
169 | TOH | 0.8789 |
170 | EQW | 0.8788 |
171 | 61M | 0.8788 |
172 | TMG | 0.8784 |
173 | MAJ | 0.8783 |
174 | M3L | 0.8782 |
175 | FPL | 0.8781 |
176 | EF0 | 0.8780 |
177 | HCA | 0.8780 |
178 | 5DS | 0.8779 |
179 | 2QC | 0.8778 |
180 | KPC | 0.8778 |
181 | 3W6 | 0.8776 |
182 | FLC | 0.8775 |
183 | TYC | 0.8774 |
184 | A6P | 0.8774 |
185 | FIX | 0.8773 |
186 | RA7 | 0.8772 |
187 | MF3 | 0.8770 |
188 | GRF | 0.8768 |
189 | RP5 | 0.8767 |
190 | KPA | 0.8764 |
191 | LGT | 0.8761 |
192 | HDL | 0.8759 |
193 | F1P | 0.8758 |
194 | TRP | 0.8755 |
195 | 8SZ | 0.8754 |
196 | GB4 | 0.8749 |
197 | KAP | 0.8748 |
198 | 3W3 | 0.8746 |
199 | CIT | 0.8745 |
200 | TYE | 0.8742 |
201 | KDG | 0.8740 |
202 | NPI | 0.8738 |
203 | ZYX | 0.8738 |
204 | 8EU | 0.8737 |
205 | M1T | 0.8737 |
206 | HJ7 | 0.8735 |
207 | JBZ | 0.8734 |
208 | RQD | 0.8733 |
209 | LFC | 0.8733 |
210 | DZA | 0.8732 |
211 | UN1 | 0.8732 |
212 | SX2 | 0.8730 |
213 | 4BX | 0.8726 |
214 | DJN | 0.8725 |
215 | 4AF | 0.8724 |
216 | CUW | 0.8722 |
217 | SOR | 0.8721 |
218 | ZZU | 0.8719 |
219 | Q04 | 0.8717 |
220 | DLT | 0.8717 |
221 | 3XR | 0.8717 |
222 | 5DL | 0.8715 |
223 | EFF | 0.8713 |
224 | 4BY | 0.8713 |
225 | 11X | 0.8713 |
226 | 80G | 0.8710 |
227 | CIR | 0.8710 |
228 | BSA | 0.8708 |
229 | TEG | 0.8706 |
230 | ICT | 0.8703 |
231 | 27K | 0.8702 |
232 | DMA | 0.8700 |
233 | VFG | 0.8699 |
234 | KYN | 0.8699 |
235 | F4K | 0.8698 |
236 | MTL | 0.8697 |
237 | OQC | 0.8696 |
238 | ASF | 0.8696 |
239 | XOG | 0.8695 |
240 | E79 | 0.8690 |
241 | NFZ | 0.8689 |
242 | IFG | 0.8689 |
243 | 2BX | 0.8688 |
244 | HPO | 0.8688 |
245 | 5GT | 0.8681 |
246 | LZ5 | 0.8680 |
247 | BZQ | 0.8677 |
248 | M75 | 0.8677 |
249 | GVA | 0.8676 |
250 | 3VR | 0.8675 |
251 | XI7 | 0.8675 |
252 | AEG | 0.8674 |
253 | R1P | 0.8673 |
254 | 6C9 | 0.8670 |
255 | 4JC | 0.8667 |
256 | 8U3 | 0.8664 |
257 | ILO | 0.8662 |
258 | 2UB | 0.8662 |
259 | 7MW | 0.8662 |
260 | LTT | 0.8658 |
261 | 3VW | 0.8658 |
262 | 5XB | 0.8655 |
263 | ENG | 0.8649 |
264 | Y4L | 0.8648 |
265 | JF5 | 0.8647 |
266 | XEN | 0.8647 |
267 | 4CF | 0.8647 |
268 | 3ZB | 0.8644 |
269 | FHC | 0.8636 |
270 | UNJ | 0.8634 |
271 | PPN | 0.8633 |
272 | HNK | 0.8632 |
273 | A6W | 0.8632 |
274 | OJD | 0.8631 |
275 | BGP | 0.8631 |
276 | NLG | 0.8630 |
277 | N9J | 0.8622 |
278 | MAH | 0.8619 |
279 | NGA | 0.8618 |
280 | P23 | 0.8618 |
281 | JAH | 0.8617 |
282 | YF3 | 0.8617 |
283 | 64Z | 0.8616 |
284 | 5TT | 0.8615 |
285 | A7Q | 0.8615 |
286 | P4F | 0.8615 |
287 | 549 | 0.8614 |
288 | OHJ | 0.8612 |
289 | C5A | 0.8610 |
290 | MES | 0.8610 |
291 | AOS | 0.8609 |
292 | DAR | 0.8607 |
293 | JFM | 0.8604 |
294 | A2G | 0.8601 |
295 | NMH | 0.8599 |
296 | HCT | 0.8599 |
297 | F1X | 0.8597 |
298 | 7QD | 0.8595 |
299 | 3EB | 0.8594 |
300 | JZA | 0.8594 |
301 | 3TC | 0.8591 |
302 | AVO | 0.8590 |
303 | TA6 | 0.8590 |
304 | YIP | 0.8590 |
305 | 3QO | 0.8588 |
306 | GRQ | 0.8585 |
307 | 1OH | 0.8584 |
308 | 3VQ | 0.8583 |
309 | FZ0 | 0.8579 |
310 | A3M | 0.8579 |
311 | 2J3 | 0.8578 |
312 | L14 | 0.8578 |
313 | DI9 | 0.8577 |
314 | Q06 | 0.8576 |
315 | 8D6 | 0.8575 |
316 | 1HS | 0.8573 |
317 | F90 | 0.8573 |
318 | CSN | 0.8573 |
319 | QUS | 0.8572 |
320 | 152 | 0.8570 |
321 | 2UZ | 0.8567 |
322 | M72 | 0.8564 |
323 | XRS | 0.8562 |
324 | LL2 | 0.8562 |
325 | KDO | 0.8560 |
326 | SEP | 0.8560 |
327 | X1P | 0.8560 |
328 | DY8 | 0.8560 |
329 | F63 | 0.8559 |
330 | F02 | 0.8559 |
331 | FTV | 0.8558 |
332 | ENV | 0.8557 |
333 | S0A | 0.8551 |
334 | 56D | 0.8547 |
335 | NFA | 0.8544 |
336 | M6P | 0.8541 |
337 | MPP | 0.8540 |
338 | 4XF | 0.8540 |
339 | HNT | 0.8526 |
340 | NF3 | 0.8523 |
341 | ALX | 0.8521 |
342 | PH3 | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 3k7s.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3k7s.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3k7s.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3k7s.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |