- 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 261 families. | |||||
1 | 5ZQY | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
2 | 6HH4 | - | F2R | C21 H35 N9 O15 P2 | [H]/N=C(NC.... |
3 | 6HGZ | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
4 | 6G1Q | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
5 | 6HH5 | - | A3R | C15 H24 N6 O11 P2 | c1nc(c2c(n.... |
6 | 6HH3 | - | A1R | C15 H24 N6 O12 P2 | c1nc(c2c(n.... |
7 | 6HOZ | - | R5I | C15 H22 N4 O15 P2 | c1nc2c(n1[.... |
8 | 6G1P | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 5ZQY | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
2 | 6HH4 | - | F2R | C21 H35 N9 O15 P2 | [H]/N=C(NC.... |
3 | 6HGZ | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
4 | 6G1Q | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
5 | 6HH5 | - | A3R | C15 H24 N6 O11 P2 | c1nc(c2c(n.... |
6 | 6HH3 | - | A1R | C15 H24 N6 O12 P2 | c1nc(c2c(n.... |
7 | 6HOZ | - | R5I | C15 H22 N4 O15 P2 | c1nc2c(n1[.... |
8 | 6G1P | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A3R | 1 | 1 |
2 | A2D | 0.78481 | 0.907895 |
3 | BA3 | 0.743902 | 0.907895 |
4 | A1R | 0.736264 | 1 |
5 | B4P | 0.73494 | 0.907895 |
6 | AP5 | 0.73494 | 0.907895 |
7 | ATP | 0.729412 | 0.907895 |
8 | HEJ | 0.729412 | 0.907895 |
9 | 5FA | 0.72093 | 0.907895 |
10 | AR6 | 0.72093 | 0.907895 |
11 | AQP | 0.72093 | 0.907895 |
12 | APR | 0.72093 | 0.907895 |
13 | ADP | 0.714286 | 0.907895 |
14 | AT4 | 0.705882 | 0.873418 |
15 | AN2 | 0.705882 | 0.896104 |
16 | M33 | 0.697674 | 0.896104 |
17 | AD9 | 0.693182 | 0.884615 |
18 | AGS | 0.693182 | 0.8625 |
19 | ACP | 0.689655 | 0.909091 |
20 | HQG | 0.666667 | 0.896104 |
21 | AMP | 0.662651 | 0.881579 |
22 | A | 0.662651 | 0.881579 |
23 | A22 | 0.659574 | 0.896104 |
24 | ACQ | 0.659341 | 0.909091 |
25 | ANP | 0.659341 | 0.884615 |
26 | ADX | 0.659091 | 0.821429 |
27 | CA0 | 0.659091 | 0.884615 |
28 | 50T | 0.651685 | 0.871795 |
29 | KG4 | 0.651685 | 0.884615 |
30 | ATF | 0.645161 | 0.873418 |
31 | PRX | 0.644444 | 0.860759 |
32 | 45A | 0.639535 | 0.858974 |
33 | ABM | 0.639535 | 0.858974 |
34 | JNT | 0.639175 | 0.96 |
35 | 6YZ | 0.638298 | 0.909091 |
36 | 3OD | 0.636364 | 0.884615 |
37 | AMP MG | 0.635294 | 0.868421 |
38 | 9X8 | 0.632653 | 0.8625 |
39 | OAD | 0.632653 | 0.884615 |
40 | ADQ | 0.628866 | 0.909091 |
41 | AP2 | 0.625 | 0.922078 |
42 | A12 | 0.625 | 0.922078 |
43 | 8LE | 0.617021 | 0.839506 |
44 | 5AL | 0.617021 | 0.871795 |
45 | SRA | 0.616279 | 0.8375 |
46 | 25L | 0.613861 | 0.896104 |
47 | ADP MG | 0.611111 | 0.881579 |
48 | ADP BEF | 0.611111 | 0.881579 |
49 | PR8 | 0.61 | 0.936709 |
50 | APC | 0.608696 | 0.922078 |
51 | TAT | 0.606383 | 0.873418 |
52 | T99 | 0.606383 | 0.873418 |
53 | AU1 | 0.604396 | 0.884615 |
54 | 8LH | 0.604167 | 0.873418 |
55 | SRP | 0.604167 | 0.922078 |
56 | BIS | 0.60396 | 0.851852 |
57 | APC MG | 0.602151 | 0.883117 |
58 | 8QN | 0.602041 | 0.871795 |
59 | KMQ | 0.601942 | 0.873418 |
60 | 4AD | 0.59596 | 0.910256 |
61 | QA7 | 0.591837 | 0.839506 |
62 | 8LQ | 0.591837 | 0.873418 |
63 | 00A | 0.59 | 0.829268 |
64 | TXD | 0.587156 | 0.898734 |
65 | OOB | 0.585859 | 0.871795 |
66 | 25A | 0.585859 | 0.883117 |
67 | OZV | 0.585859 | 0.907895 |
68 | 5SV | 0.585859 | 0.841463 |
69 | A4P | 0.585586 | 0.837209 |
70 | ADV | 0.585106 | 0.922078 |
71 | ADP PO3 | 0.585106 | 0.881579 |
72 | RBY | 0.585106 | 0.922078 |
73 | ATP MG | 0.585106 | 0.881579 |
74 | G3A | 0.584906 | 0.841463 |
75 | 3UK | 0.584158 | 0.860759 |
76 | TXE | 0.581818 | 0.898734 |
77 | AMO | 0.58 | 0.922078 |
78 | PAJ | 0.58 | 0.853659 |
79 | AFH | 0.579439 | 0.876543 |
80 | G5P | 0.579439 | 0.841463 |
81 | BEF ADP | 0.578947 | 0.858974 |
82 | WAQ | 0.578431 | 0.898734 |
83 | B5V | 0.578431 | 0.85 |
84 | 48N | 0.577982 | 0.864198 |
85 | 139 | 0.575221 | 0.9125 |
86 | AHX | 0.574257 | 0.911392 |
87 | DLL | 0.574257 | 0.871795 |
88 | DQV | 0.574074 | 0.896104 |
89 | GTA | 0.574074 | 0.811765 |
90 | TXA | 0.572816 | 0.873418 |
91 | 1ZZ | 0.572816 | 0.833333 |
92 | UP5 | 0.572727 | 0.8625 |
93 | NAX | 0.572727 | 0.865854 |
94 | NAI | 0.572727 | 0.851852 |
95 | DND | 0.572727 | 0.873418 |
96 | 6V0 | 0.572727 | 0.864198 |
97 | OMR | 0.567568 | 0.845238 |
98 | V2G | 0.56701 | 0.911392 |
99 | LAD | 0.563107 | 0.924051 |
100 | AP0 | 0.5625 | 0.841463 |
101 | T5A | 0.561404 | 0.879518 |
102 | VO4 ADP | 0.561224 | 0.860759 |
103 | ALF ADP | 0.561224 | 0.817073 |
104 | ANP MG | 0.561224 | 0.871795 |
105 | MAP | 0.56 | 0.8625 |
106 | SON | 0.55914 | 0.897436 |
107 | ME8 | 0.557692 | 0.833333 |
108 | PTJ | 0.557692 | 0.819277 |
109 | NB8 | 0.557692 | 0.8875 |
110 | FYA | 0.557692 | 0.921053 |
111 | GAP | 0.556701 | 0.884615 |
112 | B5Y | 0.556604 | 0.839506 |
113 | CNA | 0.556522 | 0.897436 |
114 | ITT | 0.553191 | 0.857143 |
115 | LMS | 0.550562 | 0.77907 |
116 | 4UU | 0.550459 | 0.839506 |
117 | 4TC | 0.548673 | 0.864198 |
118 | L3W | 0.548673 | 0.873418 |
119 | ADJ | 0.547826 | 0.890244 |
120 | 9SN | 0.54717 | 0.819277 |
121 | 4UV | 0.546296 | 0.839506 |
122 | DAL AMP | 0.544554 | 0.848101 |
123 | B5M | 0.542056 | 0.839506 |
124 | FA5 | 0.542056 | 0.897436 |
125 | LAQ | 0.540541 | 0.833333 |
126 | 9ZD | 0.539216 | 0.829268 |
127 | 9ZA | 0.539216 | 0.829268 |
128 | XAH | 0.537037 | 0.901235 |
129 | 7D4 | 0.536842 | 0.871795 |
130 | A2R | 0.534653 | 0.896104 |
131 | 5AS | 0.531915 | 0.795455 |
132 | 4UW | 0.530973 | 0.809524 |
133 | BT5 | 0.529412 | 0.847059 |
134 | 2A5 | 0.525773 | 0.909091 |
135 | F2R | 0.525424 | 0.879518 |
136 | ADP BMA | 0.52381 | 0.884615 |
137 | GA7 | 0.522523 | 0.897436 |
138 | AOC | 0.521739 | 0.769231 |
139 | UPA | 0.521739 | 0.875 |
140 | COD | 0.521008 | 0.892857 |
141 | BTX | 0.521008 | 0.857143 |
142 | ATR | 0.520408 | 0.881579 |
143 | PAP | 0.520408 | 0.894737 |
144 | ADN | 0.518072 | 0.813333 |
145 | XYA | 0.518072 | 0.813333 |
146 | RAB | 0.518072 | 0.813333 |
147 | HFD | 0.515152 | 0.8625 |
148 | JSQ | 0.515152 | 0.8625 |
149 | TYM | 0.513043 | 0.897436 |
150 | 80F | 0.512397 | 0.835294 |
151 | 7D3 | 0.510638 | 0.871795 |
152 | 3AT | 0.51 | 0.907895 |
153 | NA7 | 0.509434 | 0.947368 |
154 | MYR AMP | 0.509259 | 0.811765 |
155 | YLP | 0.508772 | 0.902439 |
156 | NAD | 0.508333 | 0.871795 |
157 | 5N5 | 0.505882 | 0.813333 |
158 | H1Q | 0.5 | 0.846154 |
159 | A4D | 0.5 | 0.789474 |
160 | IOT | 0.5 | 0.891566 |
161 | YLY | 0.5 | 0.891566 |
162 | ATP A A A | 0.5 | 0.87013 |
163 | EP4 | 0.5 | 0.728395 |
164 | ATP A | 0.5 | 0.87013 |
165 | JB6 | 0.5 | 0.875 |
166 | A3D | 0.5 | 0.860759 |
167 | 5CD | 0.5 | 0.753247 |
168 | 8X1 | 0.5 | 0.788889 |
169 | YLC | 0.495726 | 0.901235 |
170 | YLB | 0.495726 | 0.902439 |
171 | AR6 AR6 | 0.495575 | 0.858974 |
172 | AVV | 0.495238 | 0.911392 |
173 | DTP | 0.49505 | 0.921053 |
174 | TAD | 0.491228 | 0.876543 |
175 | P5A | 0.490741 | 0.820225 |
176 | A3P | 0.489583 | 0.881579 |
177 | MTA | 0.488889 | 0.725 |
178 | AF3 ADP 3PG | 0.487179 | 0.809524 |
179 | TSB | 0.485714 | 0.772727 |
180 | G5A | 0.485149 | 0.816092 |
181 | CUU | 0.484848 | 0.907895 |
182 | D4F | 0.484127 | 0.811765 |
183 | 4TA | 0.483607 | 0.845238 |
184 | 7D5 | 0.483516 | 0.846154 |
185 | YLA | 0.483333 | 0.902439 |
186 | LPA AMP | 0.482759 | 0.811765 |
187 | 7MD | 0.482456 | 0.925 |
188 | ARG AMP | 0.482456 | 0.845238 |
189 | EAD | 0.48062 | 0.843373 |
190 | DZD | 0.479675 | 0.924051 |
191 | AYB | 0.479339 | 0.891566 |
192 | 3DH | 0.478261 | 0.725 |
193 | AMP DBH | 0.477876 | 0.8375 |
194 | M2T | 0.477778 | 0.690476 |
195 | DTA | 0.477778 | 0.759494 |
196 | VMS | 0.47619 | 0.744444 |
197 | 54H | 0.47619 | 0.744444 |
198 | PPS | 0.475728 | 0.8 |
199 | 6AD | 0.475728 | 0.831325 |
200 | A2P | 0.474227 | 0.868421 |
201 | AHZ | 0.474138 | 0.770115 |
202 | 3AM | 0.473118 | 0.868421 |
203 | NAE | 0.472441 | 0.839506 |
204 | A5A | 0.471154 | 0.761364 |
205 | 6FA | 0.470588 | 0.857143 |
206 | NAD TDB | 0.470588 | 0.858974 |
207 | NAD IBO | 0.470588 | 0.858974 |
208 | DAT | 0.47 | 0.921053 |
209 | NAQ | 0.46875 | 0.819277 |
210 | SSA | 0.466667 | 0.816092 |
211 | P1H | 0.466165 | 0.823529 |
212 | V3L | 0.466019 | 0.883117 |
213 | N0B | 0.465116 | 0.902439 |
214 | ZID | 0.465116 | 0.860759 |
215 | NJP | 0.463415 | 0.8625 |
216 | FDA | 0.463235 | 0.827586 |
217 | 6RE | 0.463158 | 0.777778 |
218 | NSS | 0.462963 | 0.795455 |
219 | DSZ | 0.462963 | 0.795455 |
220 | 52H | 0.462264 | 0.736264 |
221 | NO7 | 0.462264 | 0.897436 |
222 | ALF ADP 3PG | 0.462185 | 0.809524 |
223 | 0WD | 0.459677 | 0.841463 |
224 | FB0 | 0.459259 | 0.862069 |
225 | ARU | 0.458716 | 0.809524 |
226 | NVA LMS | 0.458716 | 0.75 |
227 | 7MC | 0.458333 | 0.902439 |
228 | 53H | 0.457944 | 0.736264 |
229 | 5CA | 0.457944 | 0.816092 |
230 | AV2 | 0.457143 | 0.835443 |
231 | O02 | 0.456311 | 0.8875 |
232 | 5X8 | 0.455446 | 0.759494 |
233 | TXP | 0.455285 | 0.8875 |
234 | LEU LMS | 0.454545 | 0.728261 |
235 | 38V | 0.453846 | 0.855422 |
236 | J7C | 0.453608 | 0.7875 |
237 | A3N | 0.453608 | 0.782051 |
238 | IMO | 0.453608 | 0.844156 |
239 | FAS | 0.453237 | 0.86747 |
240 | SFD | 0.453237 | 0.75 |
241 | FAD | 0.453237 | 0.86747 |
242 | M24 | 0.453125 | 0.8 |
243 | ZAS | 0.452632 | 0.7625 |
244 | DDS | 0.451923 | 0.87013 |
245 | ODP | 0.451613 | 0.831325 |
246 | Z5A | 0.450382 | 0.795455 |
247 | LSS | 0.449541 | 0.758242 |
248 | S4M | 0.44898 | 0.744186 |
249 | 6MZ | 0.44898 | 0.846154 |
250 | NAJ PZO | 0.448819 | 0.797619 |
251 | NDC | 0.448529 | 0.864198 |
252 | 7C5 | 0.448276 | 0.746988 |
253 | AMP NAD | 0.448 | 0.848101 |
254 | FAY | 0.447552 | 0.878049 |
255 | NDP | 0.447154 | 0.841463 |
256 | NPW | 0.447154 | 0.855422 |
257 | 2AM | 0.446809 | 0.881579 |
258 | 9K8 | 0.446429 | 0.677083 |
259 | NAJ PYZ | 0.446154 | 0.761364 |
260 | NDE | 0.444444 | 0.85 |
261 | RFL | 0.444444 | 0.837209 |
262 | MAO | 0.444444 | 0.797619 |
263 | NZQ | 0.443548 | 0.853659 |
264 | D5M | 0.443299 | 0.894737 |
265 | DA | 0.443299 | 0.894737 |
266 | DSH | 0.443299 | 0.810127 |
267 | PUA | 0.44186 | 0.876543 |
268 | FNK | 0.440559 | 0.820225 |
269 | GSU | 0.4375 | 0.775281 |
270 | KAA | 0.4375 | 0.808989 |
271 | 7DT | 0.436893 | 0.894737 |
272 | XNP | 0.436508 | 0.821429 |
273 | RGT | 0.434783 | 0.873418 |
274 | GJV | 0.434343 | 0.768293 |
275 | AAT | 0.433962 | 0.790123 |
276 | NWW | 0.433333 | 0.710526 |
277 | OVE | 0.43299 | 0.848101 |
278 | YSA | 0.431034 | 0.775281 |
279 | 62F | 0.430556 | 0.901235 |
280 | SAI | 0.428571 | 0.753086 |
281 | 6C6 | 0.428571 | 0.897436 |
282 | FA9 | 0.427632 | 0.879518 |
283 | SFG | 0.427184 | 0.769231 |
284 | 5AD | 0.425287 | 0.697368 |
285 | 9JJ | 0.422819 | 0.811765 |
286 | 8PZ | 0.422414 | 0.795455 |
287 | K3K | 0.422414 | 0.775 |
288 | Y3J | 0.422222 | 0.679487 |
289 | FAJ | 0.422078 | 0.869048 |
290 | 7DD | 0.421569 | 0.894737 |
291 | A7D | 0.421569 | 0.794872 |
292 | KOY | 0.421488 | 0.753086 |
293 | EEM | 0.420561 | 0.709302 |
294 | SA8 | 0.419048 | 0.746988 |
295 | A5D | 0.419048 | 0.759494 |
296 | LQJ | 0.418803 | 0.883117 |
297 | B1U | 0.418803 | 0.697917 |
298 | GGZ | 0.418182 | 0.776471 |
299 | 128 | 0.418033 | 0.714286 |
300 | MHZ | 0.417476 | 0.776471 |
301 | PGS | 0.417476 | 0.807229 |
302 | P5F | 0.417219 | 0.818182 |
303 | PO4 PO4 A A A A PO4 | 0.415929 | 0.844156 |
304 | 71V | 0.415842 | 0.829268 |
305 | K3E | 0.415254 | 0.7875 |
306 | SAH | 0.415094 | 0.7625 |
307 | GP3 | 0.415094 | 0.841463 |
308 | WSA | 0.414634 | 0.784091 |
309 | QXP | 0.414414 | 0.761364 |
310 | NEC | 0.414141 | 0.74359 |
311 | A3G | 0.414141 | 0.842105 |
312 | GTP | 0.412844 | 0.839506 |
313 | SMM | 0.412844 | 0.704545 |
314 | J4G | 0.412281 | 0.886076 |
315 | ETB | 0.412214 | 0.848837 |
316 | DCA | 0.412214 | 0.882353 |
317 | F2N | 0.411765 | 0.829545 |
318 | 6IA | 0.411215 | 0.853659 |
319 | SAM | 0.411215 | 0.709302 |
320 | G1R | 0.409091 | 0.829268 |
321 | APU | 0.408 | 0.839506 |
322 | DG1 | 0.407407 | 0.841463 |
323 | 1DG | 0.407407 | 0.841463 |
324 | 0T1 | 0.406015 | 0.882353 |
325 | COA | 0.406015 | 0.882353 |
326 | 4YB | 0.404959 | 0.758242 |
327 | 7D7 | 0.404494 | 0.74026 |
328 | 101 | 0.40404 | 0.894737 |
329 | 2SA | 0.40367 | 0.897436 |
330 | QXG | 0.403509 | 0.752809 |
331 | V1N | 0.403361 | 0.858974 |
332 | 649 | 0.403226 | 0.78022 |
333 | NHD | 0.403101 | 0.848101 |
334 | 3AD | 0.402174 | 0.8 |
335 | GEK | 0.401786 | 0.756098 |
336 | 6K6 | 0.401786 | 0.894737 |
337 | V47 | 0.4 | 0.734177 |
338 | A3T | 0.4 | 0.792208 |
339 | R2V | 0.4 | 0.761364 |
340 | G2R | 0.4 | 0.876543 |
341 | S7M | 0.4 | 0.709302 |
342 | NAP | 0.4 | 0.860759 |
343 | N5O | 0.4 | 0.805195 |
This union binding pocket(no: 1) in the query (biounit: 6g1p.bio2) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6g1p.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |