- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 5 families. | |||||
1 | 13PK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 16PK | - | BIS | C15 H22 F4 N5 O12 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 13PK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 16PK | - | BIS | C15 H22 F4 N5 O12 P3 | c1nc(c2c(n.... |
3 | 1QPG | - | MAP | C10 H16 Mg N6 O12 P3 | c1nc(c2c(n.... |
4 | 3PGK | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
5 | 2CUN | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
6 | 5O7D | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
7 | 2WZC | - | ALF ADP 3PG | n/a | n/a |
8 | 5M3U | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
9 | 1HDI | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
10 | 2XE7 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 3C3B | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
12 | 4O3F | Kd = 2.78 uM | TZN | C19 H25 N5 O4 | COc1cc2c(c.... |
13 | 3C3A | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 1KF0 | Kd = 2.8 mM | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
15 | 5M1R | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
16 | 2ZGV | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
17 | 2WZB | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
18 | 1VJD | Kd = 0.286 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
19 | 3C3C | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
20 | 5MXM | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
21 | 1VJC | Kd = 0.263 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
22 | 2WZD | - | AF3 ADP 3PG | n/a | n/a |
23 | 3C39 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
24 | 2XE8 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
25 | 2YBE | - | LA8 ALF 3PG | n/a | n/a |
26 | 2XE6 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
27 | 4O33 | Kd = 2.78 uM | TZN | C19 H25 N5 O4 | COc1cc2c(c.... |
28 | 5M6Z | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
29 | 2P9T | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
30 | 6HXE | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
31 | 1VPE | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
32 | 1PHP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
33 | 3ZLB | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BIS | 1 | 1 |
2 | ATF | 0.744444 | 0.973333 |
3 | A2D | 0.72619 | 0.907895 |
4 | BA3 | 0.689655 | 0.907895 |
5 | AP5 | 0.681818 | 0.907895 |
6 | ADP | 0.681818 | 0.933333 |
7 | B4P | 0.681818 | 0.907895 |
8 | AT4 | 0.674157 | 0.897436 |
9 | AN2 | 0.674157 | 0.921053 |
10 | AR6 | 0.67033 | 0.907895 |
11 | APR | 0.67033 | 0.907895 |
12 | M33 | 0.666667 | 0.896104 |
13 | AD9 | 0.663043 | 0.909091 |
14 | HEJ | 0.659341 | 0.933333 |
15 | ACP | 0.659341 | 0.909091 |
16 | ATP | 0.659341 | 0.933333 |
17 | AQP | 0.652174 | 0.933333 |
18 | 5FA | 0.652174 | 0.933333 |
19 | A22 | 0.649485 | 0.921053 |
20 | ANP | 0.648936 | 0.909091 |
21 | AGS | 0.645161 | 0.886076 |
22 | KG4 | 0.641304 | 0.884615 |
23 | PRX | 0.634409 | 0.860759 |
24 | AMP | 0.632184 | 0.906667 |
25 | A | 0.632184 | 0.906667 |
26 | ACQ | 0.631579 | 0.909091 |
27 | ADX | 0.630435 | 0.821429 |
28 | CA0 | 0.630435 | 0.884615 |
29 | 5SV | 0.626263 | 0.841463 |
30 | 50T | 0.623656 | 0.896104 |
31 | HQG | 0.622449 | 0.921053 |
32 | 6YZ | 0.612245 | 0.909091 |
33 | ABM | 0.611111 | 0.858974 |
34 | 45A | 0.611111 | 0.858974 |
35 | 8LE | 0.608247 | 0.839506 |
36 | AMP MG | 0.606742 | 0.868421 |
37 | SRA | 0.606742 | 0.860759 |
38 | A3R | 0.60396 | 0.851852 |
39 | A1R | 0.60396 | 0.851852 |
40 | JNT | 0.598039 | 0.884615 |
41 | AP2 | 0.597826 | 0.897436 |
42 | A12 | 0.597826 | 0.897436 |
43 | KMQ | 0.59434 | 0.873418 |
44 | 25A | 0.594059 | 0.907895 |
45 | OAD | 0.592233 | 0.884615 |
46 | 9X8 | 0.592233 | 0.8625 |
47 | 5AL | 0.591837 | 0.871795 |
48 | 25L | 0.590476 | 0.921053 |
49 | ADQ | 0.588235 | 0.884615 |
50 | ADP BEF | 0.585106 | 0.881579 |
51 | ADP MG | 0.585106 | 0.881579 |
52 | APC | 0.583333 | 0.897436 |
53 | TAT | 0.581633 | 0.897436 |
54 | T99 | 0.581633 | 0.897436 |
55 | 3OD | 0.580952 | 0.884615 |
56 | 1ZZ | 0.580952 | 0.833333 |
57 | SRP | 0.58 | 0.85 |
58 | 8LH | 0.58 | 0.85 |
59 | AU1 | 0.578947 | 0.909091 |
60 | OZV | 0.578431 | 0.907895 |
61 | OMR | 0.575221 | 0.845238 |
62 | PAJ | 0.572816 | 0.831325 |
63 | LAD | 0.571429 | 0.853659 |
64 | QA7 | 0.568627 | 0.839506 |
65 | 8LQ | 0.568627 | 0.85 |
66 | 00A | 0.567308 | 0.875 |
67 | AHX | 0.567308 | 0.841463 |
68 | PTJ | 0.566038 | 0.841463 |
69 | OOB | 0.563107 | 0.871795 |
70 | 8QN | 0.563107 | 0.871795 |
71 | ADP PO3 | 0.561224 | 0.881579 |
72 | ATP MG | 0.561224 | 0.881579 |
73 | RBY | 0.561224 | 0.873418 |
74 | APC MG | 0.561224 | 0.858974 |
75 | ADV | 0.561224 | 0.873418 |
76 | 4AD | 0.557692 | 0.8625 |
77 | AMO | 0.557692 | 0.873418 |
78 | WAQ | 0.556604 | 0.875 |
79 | BEF ADP | 0.555556 | 0.858974 |
80 | ALF ADP | 0.554455 | 0.886076 |
81 | MAP | 0.553398 | 0.886076 |
82 | DLL | 0.552381 | 0.871795 |
83 | TXA | 0.551402 | 0.873418 |
84 | G3A | 0.54955 | 0.864198 |
85 | 3UK | 0.54717 | 0.860759 |
86 | XAH | 0.545455 | 0.833333 |
87 | G5P | 0.544643 | 0.864198 |
88 | AFH | 0.544643 | 0.9 |
89 | V2G | 0.544554 | 0.841463 |
90 | L3W | 0.543103 | 0.873418 |
91 | B5V | 0.542056 | 0.85 |
92 | PR8 | 0.542056 | 0.843373 |
93 | 9SN | 0.541284 | 0.8875 |
94 | 4UV | 0.540541 | 0.839506 |
95 | GTA | 0.539823 | 0.833333 |
96 | DQV | 0.539823 | 0.896104 |
97 | VO4 ADP | 0.539216 | 0.884615 |
98 | ANP MG | 0.539216 | 0.871795 |
99 | NAX | 0.53913 | 0.843373 |
100 | NAI | 0.53913 | 0.851852 |
101 | UP5 | 0.53913 | 0.8625 |
102 | ME8 | 0.537037 | 0.811765 |
103 | FYA | 0.537037 | 0.848101 |
104 | NB8 | 0.537037 | 0.841463 |
105 | SON | 0.536082 | 0.873418 |
106 | GAP | 0.534653 | 0.8375 |
107 | 48N | 0.530435 | 0.841463 |
108 | ATR | 0.53 | 0.906667 |
109 | 4TC | 0.529915 | 0.841463 |
110 | AP0 | 0.529915 | 0.841463 |
111 | A2R | 0.528846 | 0.921053 |
112 | LMS | 0.526882 | 0.77907 |
113 | DND | 0.525862 | 0.873418 |
114 | TXD | 0.525862 | 0.851852 |
115 | 6V0 | 0.525862 | 0.841463 |
116 | ARU | 0.523364 | 0.853659 |
117 | FA5 | 0.522523 | 0.85 |
118 | B5Y | 0.522523 | 0.839506 |
119 | B5M | 0.522523 | 0.839506 |
120 | TXE | 0.521368 | 0.851852 |
121 | F2R | 0.520661 | 0.857143 |
122 | 9ZD | 0.518868 | 0.851852 |
123 | 9ZA | 0.518868 | 0.851852 |
124 | MYR AMP | 0.518182 | 0.811765 |
125 | 4UU | 0.517544 | 0.839506 |
126 | GA7 | 0.517544 | 0.85 |
127 | 139 | 0.516667 | 0.821429 |
128 | ADJ | 0.516667 | 0.823529 |
129 | COD | 0.516393 | 0.806818 |
130 | BTX | 0.516393 | 0.835294 |
131 | A4P | 0.512605 | 0.795455 |
132 | BT5 | 0.512195 | 0.825581 |
133 | 5AS | 0.510204 | 0.736264 |
134 | DAL AMP | 0.509434 | 0.848101 |
135 | LAQ | 0.508621 | 0.833333 |
136 | IOT | 0.508333 | 0.825581 |
137 | 2A5 | 0.504951 | 0.884615 |
138 | ADP BMA | 0.504587 | 0.860759 |
139 | YLP | 0.504274 | 0.813953 |
140 | UPA | 0.504202 | 0.851852 |
141 | YLB | 0.504202 | 0.813953 |
142 | T5A | 0.504132 | 0.793103 |
143 | PAP | 0.5 | 0.92 |
144 | 4UW | 0.5 | 0.809524 |
145 | AOC | 0.5 | 0.769231 |
146 | CNA | 0.5 | 0.873418 |
147 | 80F | 0.496 | 0.793103 |
148 | JB6 | 0.495495 | 0.851852 |
149 | A4D | 0.494382 | 0.766234 |
150 | RAB | 0.494253 | 0.789474 |
151 | ADN | 0.494253 | 0.789474 |
152 | XYA | 0.494253 | 0.789474 |
153 | YLC | 0.491667 | 0.833333 |
154 | ARG AMP | 0.491379 | 0.823529 |
155 | NA7 | 0.490909 | 0.897436 |
156 | 7D3 | 0.489796 | 0.848101 |
157 | AYB | 0.487805 | 0.804598 |
158 | 52H | 0.485981 | 0.736264 |
159 | ITT | 0.485149 | 0.881579 |
160 | 7D4 | 0.485149 | 0.848101 |
161 | A2P | 0.484848 | 0.893333 |
162 | TYM | 0.483333 | 0.85 |
163 | 5N5 | 0.483146 | 0.766234 |
164 | ATP A | 0.482456 | 0.87013 |
165 | ATP A A A | 0.482456 | 0.87013 |
166 | JSQ | 0.480769 | 0.960526 |
167 | HFD | 0.480769 | 0.960526 |
168 | G5A | 0.480769 | 0.736264 |
169 | NAD | 0.48 | 0.871795 |
170 | YLA | 0.479675 | 0.813953 |
171 | 7MD | 0.478632 | 0.855422 |
172 | AR6 AR6 | 0.478632 | 0.858974 |
173 | EP4 | 0.478261 | 0.707317 |
174 | 5CD | 0.477778 | 0.776316 |
175 | SSA | 0.476636 | 0.755556 |
176 | TAD | 0.474576 | 0.831325 |
177 | A3D | 0.472441 | 0.860759 |
178 | AHZ | 0.470588 | 0.790698 |
179 | A3P | 0.47 | 0.906667 |
180 | NAE | 0.469231 | 0.839506 |
181 | 3AM | 0.46875 | 0.868421 |
182 | 8X1 | 0.46789 | 0.731183 |
183 | 53H | 0.46789 | 0.736264 |
184 | TSB | 0.46789 | 0.772727 |
185 | A5A | 0.46729 | 0.761364 |
186 | H1Q | 0.466019 | 0.846154 |
187 | AVV | 0.463636 | 0.911392 |
188 | P1H | 0.463235 | 0.823529 |
189 | 7D5 | 0.463158 | 0.822785 |
190 | YLY | 0.461538 | 0.804598 |
191 | AMP DBH | 0.461538 | 0.8375 |
192 | ODP | 0.460317 | 0.853659 |
193 | P5A | 0.460177 | 0.741935 |
194 | KAA | 0.460177 | 0.75 |
195 | 6RE | 0.459184 | 0.73494 |
196 | AF3 ADP 3PG | 0.459016 | 0.853659 |
197 | ALF ADP 3PG | 0.459016 | 0.853659 |
198 | VMS | 0.458716 | 0.744444 |
199 | NO7 | 0.458716 | 0.873418 |
200 | 54H | 0.458716 | 0.744444 |
201 | 3DH | 0.458333 | 0.725 |
202 | PPS | 0.457944 | 0.821429 |
203 | 6AD | 0.457944 | 0.853659 |
204 | DTA | 0.457447 | 0.7375 |
205 | M2T | 0.457447 | 0.690476 |
206 | NVA LMS | 0.455357 | 0.731183 |
207 | 7MC | 0.455285 | 0.835294 |
208 | EAD | 0.455224 | 0.821429 |
209 | DSH | 0.454545 | 0.722892 |
210 | 5CA | 0.454545 | 0.755556 |
211 | LPA AMP | 0.454545 | 0.811765 |
212 | NAQ | 0.454545 | 0.819277 |
213 | DZD | 0.453125 | 0.831325 |
214 | MTA | 0.452632 | 0.725 |
215 | 5X8 | 0.451923 | 0.716049 |
216 | ZID | 0.451128 | 0.860759 |
217 | N0B | 0.451128 | 0.813953 |
218 | M24 | 0.450382 | 0.865854 |
219 | A3N | 0.45 | 0.7375 |
220 | J7C | 0.45 | 0.743902 |
221 | ZAS | 0.44898 | 0.719512 |
222 | NJP | 0.448819 | 0.886076 |
223 | V3L | 0.448598 | 0.907895 |
224 | NSS | 0.446429 | 0.755556 |
225 | LSS | 0.446429 | 0.72043 |
226 | DSZ | 0.446429 | 0.755556 |
227 | GJV | 0.445545 | 0.746988 |
228 | S4M | 0.445545 | 0.666667 |
229 | NAD IBO | 0.443548 | 0.858974 |
230 | NAD TDB | 0.443548 | 0.858974 |
231 | 9K8 | 0.443478 | 0.731183 |
232 | 2AM | 0.443299 | 0.881579 |
233 | SFD | 0.440559 | 0.69697 |
234 | AV2 | 0.440367 | 0.858974 |
235 | 38V | 0.440298 | 0.833333 |
236 | 9JJ | 0.44 | 0.878049 |
237 | FDA | 0.439716 | 0.786517 |
238 | LEU LMS | 0.438596 | 0.691489 |
239 | PO4 PO4 A A A A PO4 | 0.438596 | 0.844156 |
240 | SFG | 0.438095 | 0.725 |
241 | CUU | 0.438095 | 0.907895 |
242 | 6FA | 0.43662 | 0.793103 |
243 | D4F | 0.43609 | 0.790698 |
244 | NDC | 0.435714 | 0.864198 |
245 | FB0 | 0.435714 | 0.8 |
246 | IMO | 0.435644 | 0.868421 |
247 | 3AT | 0.435185 | 0.907895 |
248 | NAJ PZO | 0.435115 | 0.797619 |
249 | GSU | 0.434783 | 0.755556 |
250 | 4TA | 0.434109 | 0.761364 |
251 | 0WD | 0.434109 | 0.864198 |
252 | NDP | 0.433071 | 0.864198 |
253 | NPW | 0.433071 | 0.855422 |
254 | NDE | 0.431655 | 0.873418 |
255 | 6MZ | 0.431373 | 0.87013 |
256 | EEM | 0.431193 | 0.670455 |
257 | FAS | 0.430556 | 0.802326 |
258 | FAD | 0.430556 | 0.802326 |
259 | OVE | 0.43 | 0.848101 |
260 | NZQ | 0.429688 | 0.853659 |
261 | TXP | 0.429688 | 0.864198 |
262 | YSA | 0.428571 | 0.736264 |
263 | LQJ | 0.428571 | 0.858974 |
264 | B1U | 0.428571 | 0.697917 |
265 | 62F | 0.428571 | 0.811765 |
266 | MAO | 0.427184 | 0.735632 |
267 | O02 | 0.425926 | 0.864198 |
268 | FAY | 0.425676 | 0.811765 |
269 | P5F | 0.424837 | 0.777778 |
270 | DAT | 0.424528 | 0.848101 |
271 | 649 | 0.424 | 0.741935 |
272 | AMP NAD | 0.423077 | 0.848101 |
273 | 5AD | 0.422222 | 0.697368 |
274 | DTP | 0.422018 | 0.848101 |
275 | 7C5 | 0.421488 | 0.768293 |
276 | 8PZ | 0.420168 | 0.755556 |
277 | 7DD | 0.419048 | 0.92 |
278 | FNK | 0.418919 | 0.76087 |
279 | SA8 | 0.416667 | 0.686047 |
280 | A5D | 0.416667 | 0.7375 |
281 | MHZ | 0.415094 | 0.696629 |
282 | NWW | 0.414894 | 0.710526 |
283 | 0T1 | 0.414815 | 0.818182 |
284 | 4YB | 0.414634 | 0.73913 |
285 | RFL | 0.413333 | 0.775281 |
286 | SAH | 0.412844 | 0.719512 |
287 | SAI | 0.412844 | 0.710843 |
288 | 6C6 | 0.412844 | 0.873418 |
289 | XNP | 0.412214 | 0.843373 |
290 | NAJ PYZ | 0.411765 | 0.802326 |
291 | FAJ | 0.411392 | 0.784091 |
292 | MCD | 0.411348 | 0.8 |
293 | S7M | 0.410714 | 0.670455 |
294 | DCA | 0.410448 | 0.797753 |
295 | ETB | 0.410448 | 0.806818 |
296 | FCX | 0.410072 | 0.852273 |
297 | FAM | 0.410072 | 0.862069 |
298 | NIA | 0.41 | 0.77381 |
299 | 6IA | 0.409091 | 0.809524 |
300 | 0UM | 0.408696 | 0.697674 |
301 | K3K | 0.408333 | 0.753086 |
302 | 7DT | 0.407407 | 0.92 |
303 | APU | 0.40625 | 0.839506 |
304 | Z5A | 0.405797 | 0.736264 |
305 | 30N | 0.405797 | 0.75 |
306 | AMX | 0.405797 | 0.827586 |
307 | A7D | 0.40566 | 0.75 |
308 | AAT | 0.405405 | 0.705882 |
309 | 128 | 0.404762 | 0.733333 |
310 | COA | 0.404412 | 0.818182 |
311 | Y3J | 0.404255 | 0.746667 |
312 | GGZ | 0.403509 | 0.776471 |
313 | 7L1 | 0.402878 | 0.791209 |
314 | SCO | 0.402878 | 0.818182 |
315 | CMX | 0.402878 | 0.818182 |
316 | 2SA | 0.401786 | 0.873418 |
317 | K15 | 0.401709 | 0.681818 |
318 | A6D | 0.401709 | 0.681818 |
319 | K3E | 0.401639 | 0.743902 |
320 | WSA | 0.401575 | 0.744444 |
321 | CA6 | 0.401408 | 0.727273 |
322 | 12D | 0.4 | 0.741573 |
323 | NWQ | 0.4 | 0.692308 |
324 | 71V | 0.4 | 0.851852 |
325 | 6K6 | 0.4 | 0.87013 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 16pk.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |