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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ATP A | 1 | 1 |
2 | ATP A A A | 1 | 1 |
3 | ADP PO3 | 0.813953 | 0.985507 |
4 | ATP MG | 0.813953 | 0.985507 |
5 | ADP BEF | 0.727273 | 0.985507 |
6 | ADP MG | 0.727273 | 0.985507 |
7 | BEF ADP | 0.688172 | 0.957747 |
8 | PO4 PO4 A A A A PO4 | 0.686869 | 0.971014 |
9 | ALF ADP | 0.666667 | 0.906667 |
10 | VO4 ADP | 0.666667 | 0.931507 |
11 | ADP BMA | 0.653465 | 0.958333 |
12 | ANP MG | 0.649485 | 0.944444 |
13 | AMP MG | 0.622222 | 0.971014 |
14 | AR6 AR6 | 0.614679 | 0.985714 |
15 | GAP | 0.612245 | 0.931507 |
16 | A | 0.593407 | 0.929577 |
17 | AMP | 0.593407 | 0.929577 |
18 | APC MG | 0.591837 | 0.957747 |
19 | 45A | 0.591398 | 0.90411 |
20 | ABM | 0.591398 | 0.90411 |
21 | A2D | 0.591398 | 0.957747 |
22 | ADP | 0.589474 | 0.930556 |
23 | AN2 | 0.583333 | 0.917808 |
24 | BA3 | 0.578947 | 0.957747 |
25 | A12 | 0.578947 | 0.893333 |
26 | A3P | 0.578947 | 0.929577 |
27 | AP2 | 0.578947 | 0.893333 |
28 | AGS | 0.575758 | 0.881579 |
29 | PAP | 0.575758 | 0.916667 |
30 | AP5 | 0.572917 | 0.957747 |
31 | B4P | 0.572917 | 0.957747 |
32 | SRA | 0.569892 | 0.88 |
33 | DAL AMP | 0.567308 | 0.944444 |
34 | AT4 | 0.56701 | 0.893333 |
35 | APC | 0.565657 | 0.893333 |
36 | AHZ | 0.561404 | 0.85 |
37 | M33 | 0.561224 | 0.917808 |
38 | ACP | 0.555556 | 0.905405 |
39 | NAD IBO | 0.555556 | 0.985714 |
40 | ATP | 0.555556 | 0.930556 |
41 | HEJ | 0.555556 | 0.930556 |
42 | 50T | 0.555556 | 0.891892 |
43 | NAD TDB | 0.555556 | 0.985714 |
44 | 4TA | 0.553719 | 0.8625 |
45 | APC G U | 0.552 | 0.87013 |
46 | 5FA | 0.55 | 0.930556 |
47 | APR | 0.55 | 0.930556 |
48 | AR6 | 0.55 | 0.930556 |
49 | AQP | 0.55 | 0.930556 |
50 | ACQ | 0.54902 | 0.905405 |
51 | ALF ADP 3PG | 0.547009 | 0.871795 |
52 | AF3 ADP 3PG | 0.547009 | 0.871795 |
53 | ADX | 0.545455 | 0.8375 |
54 | CA0 | 0.545455 | 0.905405 |
55 | AU1 | 0.545455 | 0.905405 |
56 | ADV | 0.544554 | 0.893333 |
57 | AD9 | 0.544554 | 0.905405 |
58 | RBY | 0.544554 | 0.893333 |
59 | KG4 | 0.54 | 0.905405 |
60 | A22 | 0.537736 | 0.944444 |
61 | PRX | 0.534653 | 0.88 |
62 | ANP | 0.533981 | 0.905405 |
63 | TAT | 0.533981 | 0.893333 |
64 | T99 | 0.533981 | 0.893333 |
65 | 6YZ | 0.533333 | 0.905405 |
66 | MYR AMP | 0.531532 | 0.85 |
67 | PPS | 0.528846 | 0.814815 |
68 | AMP NAD | 0.528455 | 0.971831 |
69 | HQG | 0.528302 | 0.917808 |
70 | ADQ | 0.527778 | 0.931507 |
71 | AMP DBH | 0.526316 | 0.931507 |
72 | ATF | 0.52381 | 0.893333 |
73 | 8LQ | 0.523364 | 0.893333 |
74 | 3OD | 0.522523 | 0.905405 |
75 | 25A | 0.518519 | 0.957747 |
76 | 9X8 | 0.518182 | 0.881579 |
77 | 3AM | 0.515789 | 0.888889 |
78 | Z5A | 0.515385 | 0.831325 |
79 | 8LE | 0.514286 | 0.881579 |
80 | 5AL | 0.514286 | 0.917808 |
81 | V2G | 0.514286 | 0.858974 |
82 | COA FLC | 0.511628 | 0.8 |
83 | LMS | 0.510417 | 0.814815 |
84 | MAP | 0.509259 | 0.881579 |
85 | QA7 | 0.509259 | 0.881579 |
86 | FYA | 0.508929 | 0.917808 |
87 | SON | 0.504951 | 0.893333 |
88 | SRP | 0.504673 | 0.893333 |
89 | 8LH | 0.504673 | 0.893333 |
90 | OOB | 0.504587 | 0.944444 |
91 | 9ZD | 0.504587 | 0.87013 |
92 | 9ZA | 0.504587 | 0.87013 |
93 | OAD | 0.504505 | 0.905405 |
94 | 25L | 0.504425 | 0.944444 |
95 | ARG AMP | 0.504274 | 0.839506 |
96 | LPA AMP | 0.504202 | 0.85 |
97 | NAD | 0.504 | 0.971831 |
98 | NAJ PZO | 0.503937 | 0.907895 |
99 | PAX | 0.503817 | 0.839506 |
100 | PAJ | 0.5 | 0.848101 |
101 | A3R | 0.5 | 0.87013 |
102 | 4AD | 0.5 | 0.906667 |
103 | A1R | 0.5 | 0.87013 |
104 | AOC | 0.5 | 0.833333 |
105 | AMO | 0.5 | 0.893333 |
106 | NAJ PYZ | 0.5 | 0.8625 |
107 | M7G A2M G | 0.496689 | 0.793103 |
108 | A3D | 0.496063 | 0.958333 |
109 | B5Y | 0.495652 | 0.906667 |
110 | DLL | 0.495495 | 0.944444 |
111 | 00A | 0.495495 | 0.894737 |
112 | JNT | 0.495495 | 0.905405 |
113 | XYA | 0.494382 | 0.830986 |
114 | RAB | 0.494382 | 0.830986 |
115 | ADN | 0.494382 | 0.830986 |
116 | NAE | 0.492308 | 0.932432 |
117 | 7MD | 0.491525 | 0.82716 |
118 | AFH | 0.491525 | 0.871795 |
119 | 3UK | 0.491071 | 0.931507 |
120 | 8QN | 0.490909 | 0.917808 |
121 | 5SV | 0.490909 | 0.835443 |
122 | OZV | 0.490909 | 0.930556 |
123 | 9SN | 0.486957 | 0.883117 |
124 | B5V | 0.486726 | 0.918919 |
125 | WAQ | 0.486726 | 0.87013 |
126 | 38V | 0.484848 | 0.85 |
127 | 5N5 | 0.483516 | 0.805556 |
128 | KMQ | 0.482759 | 0.893333 |
129 | 1ZZ | 0.482456 | 0.82716 |
130 | NB8 | 0.482456 | 0.858974 |
131 | BIS | 0.482456 | 0.87013 |
132 | AHX | 0.482143 | 0.858974 |
133 | 5AS | 0.480392 | 0.767442 |
134 | NMN AMP PO4 | 0.480315 | 0.932432 |
135 | NAQ | 0.477273 | 0.907895 |
136 | NAI | 0.47541 | 0.894737 |
137 | DQV | 0.475 | 0.944444 |
138 | 4UV | 0.474576 | 0.906667 |
139 | PR8 | 0.473684 | 0.8375 |
140 | ZID | 0.473684 | 0.958333 |
141 | LAD | 0.473684 | 0.848101 |
142 | BUA COA | 0.471429 | 0.781609 |
143 | B5M | 0.470085 | 0.906667 |
144 | FA5 | 0.470085 | 0.918919 |
145 | ME8 | 0.469565 | 0.82716 |
146 | PTJ | 0.469565 | 0.858974 |
147 | JB6 | 0.469565 | 0.894737 |
148 | TXA | 0.469565 | 0.893333 |
149 | N01 | 0.469231 | 0.971831 |
150 | 0WD | 0.46875 | 0.883117 |
151 | GTP MG | 0.468468 | 0.893333 |
152 | 4UU | 0.466667 | 0.906667 |
153 | H1Q | 0.466667 | 0.916667 |
154 | 7D5 | 0.463918 | 0.84 |
155 | 4UW | 0.463415 | 0.871795 |
156 | NAX | 0.463415 | 0.860759 |
157 | DND | 0.463415 | 0.945205 |
158 | 5CD | 0.462366 | 0.816901 |
159 | A4D | 0.462366 | 0.805556 |
160 | 2A5 | 0.462264 | 0.855263 |
161 | 7D3 | 0.460784 | 0.842105 |
162 | LAQ | 0.459016 | 0.82716 |
163 | NAD CJ3 | 0.458904 | 0.821429 |
164 | G3A | 0.458333 | 0.883117 |
165 | ATR | 0.457944 | 0.902778 |
166 | A2P | 0.456311 | 0.915493 |
167 | AP0 | 0.456 | 0.883117 |
168 | 7MC | 0.456 | 0.807229 |
169 | YLP | 0.455285 | 0.807229 |
170 | NAD BBN | 0.455172 | 0.851852 |
171 | 6NA COA | 0.455172 | 0.764045 |
172 | GA7 | 0.454545 | 0.893333 |
173 | A5A | 0.454545 | 0.795181 |
174 | G5P | 0.454545 | 0.883117 |
175 | XAH | 0.453782 | 0.82716 |
176 | G5A | 0.453704 | 0.767442 |
177 | NDE | 0.453237 | 0.945205 |
178 | G G 6MZ C | 0.453125 | 0.884615 |
179 | LEU LMS | 0.452174 | 0.758621 |
180 | HMG | 0.452055 | 0.781609 |
181 | GTA | 0.45082 | 0.873418 |
182 | TAD | 0.45082 | 0.848101 |
183 | G 6MZ C | 0.448598 | 0.915493 |
184 | TXE | 0.448 | 0.894737 |
185 | OMR | 0.448 | 0.817073 |
186 | TYM | 0.448 | 0.918919 |
187 | EP4 | 0.447917 | 0.763158 |
188 | DSZ | 0.447368 | 0.767442 |
189 | GTP 5GP | 0.447154 | 0.932432 |
190 | NDC | 0.446809 | 0.907895 |
191 | DKA COA | 0.445946 | 0.764045 |
192 | DAO COA | 0.445946 | 0.764045 |
193 | PLM COA | 0.445946 | 0.764045 |
194 | EO3 COA | 0.445946 | 0.764045 |
195 | MYR COA | 0.445946 | 0.764045 |
196 | DCR COA | 0.445946 | 0.764045 |
197 | X90 COA | 0.445946 | 0.764045 |
198 | 139 | 0.445312 | 0.860759 |
199 | UPA | 0.444444 | 0.894737 |
200 | 3DH | 0.444444 | 0.783784 |
201 | 9K8 | 0.444444 | 0.741573 |
202 | 4TC | 0.444444 | 0.883117 |
203 | FAD NBT | 0.443709 | 0.758242 |
204 | 48N | 0.443548 | 0.858974 |
205 | 7D4 | 0.443396 | 0.842105 |
206 | M2T | 0.443299 | 0.766234 |
207 | DTA | 0.443299 | 0.821918 |
208 | TSB | 0.442478 | 0.785714 |
209 | LQJ | 0.441667 | 0.930556 |
210 | TXD | 0.44 | 0.894737 |
211 | UP5 | 0.44 | 0.906667 |
212 | 6V0 | 0.44 | 0.883117 |
213 | 5AD NJS | 0.43949 | 0.758242 |
214 | MTA | 0.438776 | 0.783784 |
215 | SSA | 0.4375 | 0.767442 |
216 | IOT | 0.4375 | 0.797619 |
217 | NSS | 0.434783 | 0.788235 |
218 | T5A | 0.434109 | 0.829268 |
219 | ADJ | 0.434109 | 0.839506 |
220 | 54H | 0.433628 | 0.776471 |
221 | A2R | 0.433628 | 0.917808 |
222 | 52H | 0.433628 | 0.767442 |
223 | VMS | 0.433628 | 0.776471 |
224 | 8PZ | 0.433333 | 0.788235 |
225 | L3W | 0.433071 | 0.893333 |
226 | YLC | 0.433071 | 0.82716 |
227 | YLB | 0.433071 | 0.807229 |
228 | DZD | 0.431818 | 0.871795 |
229 | 6RE | 0.431373 | 0.769231 |
230 | CNA | 0.430769 | 0.945205 |
231 | 2AM | 0.43 | 0.876712 |
232 | 8X1 | 0.429825 | 0.741573 |
233 | 5CA | 0.429825 | 0.767442 |
234 | 53H | 0.429825 | 0.767442 |
235 | A4P | 0.429688 | 0.809524 |
236 | PUA | 0.42963 | 0.848101 |
237 | CNV FAD | 0.427632 | 0.802326 |
238 | F2R | 0.427481 | 0.807229 |
239 | 5X8 | 0.425926 | 0.773333 |
240 | COD | 0.424242 | 0.77907 |
241 | ENQ | 0.423729 | 0.929577 |
242 | P5A | 0.423729 | 0.733333 |
243 | V3L | 0.423423 | 0.930556 |
244 | NAD NDT | 0.423077 | 0.734043 |
245 | J7C | 0.423077 | 0.75641 |
246 | A3N | 0.423077 | 0.773333 |
247 | FAD CNX | 0.423077 | 0.734043 |
248 | IMO | 0.423077 | 0.888889 |
249 | LSS | 0.422414 | 0.75 |
250 | ETB | 0.422222 | 0.77907 |
251 | DCA | 0.422222 | 0.770115 |
252 | ZAS | 0.421569 | 0.8 |
253 | P6G FDA | 0.420382 | 0.802326 |
254 | NAP | 0.42029 | 0.958333 |
255 | M24 | 0.419118 | 0.860759 |
256 | S4M | 0.419048 | 0.694118 |
257 | 6MZ | 0.419048 | 0.890411 |
258 | NVA LMS | 0.418803 | 0.761364 |
259 | B1U | 0.418033 | 0.764045 |
260 | YSA | 0.418033 | 0.788235 |
261 | DAL FAD PER | 0.417722 | 0.775281 |
262 | OVE | 0.417476 | 0.842105 |
263 | TAP | 0.417266 | 0.92 |
264 | 9BG | 0.416667 | 0.858974 |
265 | NDP DTT | 0.416667 | 0.851852 |
266 | ITT | 0.416667 | 0.876712 |
267 | D4F | 0.416058 | 0.85 |
268 | COA | 0.416058 | 0.770115 |
269 | 0T1 | 0.416058 | 0.770115 |
270 | NA7 | 0.415254 | 0.893333 |
271 | MAO | 0.415094 | 0.746988 |
272 | O02 | 0.414414 | 0.858974 |
273 | NA0 | 0.414286 | 0.945205 |
274 | DSH | 0.413462 | 0.734177 |
275 | CCQ | 0.413333 | 0.73913 |
276 | SFG | 0.412844 | 0.76 |
277 | FAD T2C | 0.4125 | 0.758242 |
278 | YLA | 0.412214 | 0.807229 |
279 | KAA | 0.411765 | 0.741573 |
280 | GSU | 0.411765 | 0.767442 |
281 | FAM | 0.411348 | 0.752809 |
282 | FAD NBA | 0.411043 | 0.734043 |
283 | ASP ASP ASP ILE NH2 CMC | 0.411043 | 0.772727 |
284 | BT5 | 0.410448 | 0.797619 |
285 | KOY | 0.409449 | 0.837838 |
286 | AYB | 0.409091 | 0.797619 |
287 | APU | 0.407692 | 0.881579 |
288 | 80F | 0.407407 | 0.829268 |
289 | CAO | 0.407143 | 0.744444 |
290 | 30N | 0.407143 | 0.705263 |
291 | COS | 0.407143 | 0.752809 |
292 | AMX | 0.407143 | 0.77907 |
293 | GJV | 0.40566 | 0.759494 |
294 | FYN | 0.405594 | 0.770115 |
295 | G 6MZ C U | 0.405405 | 0.896104 |
296 | SA8 | 0.405405 | 0.716049 |
297 | 4YB | 0.404762 | 0.770115 |
298 | EAD | 0.404255 | 0.860759 |
299 | CMX | 0.404255 | 0.770115 |
300 | SCO | 0.404255 | 0.770115 |
301 | AV2 | 0.403509 | 0.853333 |
302 | WSA | 0.403101 | 0.797619 |
303 | BTX | 0.402985 | 0.807229 |
304 | NHD | 0.402985 | 0.944444 |
305 | P1H | 0.402778 | 0.839506 |
306 | CA6 | 0.402778 | 0.683673 |
307 | P33 FDA | 0.402516 | 0.775281 |
308 | NWW | 0.402062 | 0.746479 |
309 | 6C6 | 0.401786 | 0.844156 |
310 | FCX | 0.401408 | 0.744444 |
311 | ACO | 0.401408 | 0.744444 |
312 | 6MZ C U | 0.401361 | 0.884615 |
313 | 1VU | 0.4 | 0.744444 |
314 | V47 | 0.4 | 0.819444 |
315 | SMM | 0.4 | 0.714286 |
316 | NMX | 0.4 | 0.731183 |
No: | Ligand | Similarity coefficient |
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