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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 1 families. | |||||
1 | 1V25 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
2 | 1V26 | - | MYR AMP | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1V25 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
2 | 1V26 | - | MYR AMP | n/a | n/a |
3 | 6IHK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
4 | 6IJB | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MYR AMP | 1 | 1 |
2 | 1ZZ | 0.795699 | 0.975 |
3 | GAP | 0.733333 | 0.864198 |
4 | LPA AMP | 0.718447 | 0.880952 |
5 | DAL AMP | 0.677083 | 0.898734 |
6 | WAQ | 0.676768 | 0.901235 |
7 | ADP MG | 0.666667 | 0.860759 |
8 | ADP BEF | 0.666667 | 0.860759 |
9 | OMR | 0.657407 | 0.962963 |
10 | 5SV | 0.653061 | 0.9375 |
11 | AMP MG | 0.636364 | 0.848101 |
12 | ATP MG | 0.621053 | 0.860759 |
13 | ADP PO3 | 0.621053 | 0.860759 |
14 | BEF ADP | 0.614583 | 0.839506 |
15 | ALF ADP | 0.612245 | 0.8 |
16 | ANP MG | 0.612245 | 0.829268 |
17 | ARG AMP | 0.611111 | 0.827586 |
18 | AMP | 0.606742 | 0.814815 |
19 | A | 0.606742 | 0.814815 |
20 | CA0 | 0.606383 | 0.841463 |
21 | ABM | 0.604396 | 0.839506 |
22 | 45A | 0.604396 | 0.839506 |
23 | KG4 | 0.6 | 0.841463 |
24 | VO4 ADP | 0.59596 | 0.819277 |
25 | QA7 | 0.594059 | 0.865854 |
26 | PRX | 0.59375 | 0.8875 |
27 | A12 | 0.591398 | 0.809524 |
28 | AP2 | 0.591398 | 0.809524 |
29 | APC MG | 0.587629 | 0.8625 |
30 | A2D | 0.586957 | 0.817073 |
31 | 5AL | 0.585859 | 0.875 |
32 | 8LE | 0.585859 | 0.843373 |
33 | ADP | 0.585106 | 0.817073 |
34 | SON | 0.578947 | 0.853659 |
35 | 8LQ | 0.578431 | 0.876543 |
36 | BA3 | 0.574468 | 0.817073 |
37 | 8LH | 0.574257 | 0.876543 |
38 | M33 | 0.572917 | 0.829268 |
39 | LAQ | 0.571429 | 0.858824 |
40 | V2G | 0.57 | 0.823529 |
41 | B4P | 0.568421 | 0.817073 |
42 | AP5 | 0.568421 | 0.817073 |
43 | SRA | 0.565217 | 0.776471 |
44 | AN2 | 0.5625 | 0.807229 |
45 | AT4 | 0.5625 | 0.788235 |
46 | APC | 0.561224 | 0.809524 |
47 | ME8 | 0.560748 | 0.858824 |
48 | SRP | 0.558824 | 0.831325 |
49 | 8QN | 0.557692 | 0.875 |
50 | OOB | 0.557692 | 0.851852 |
51 | ADX | 0.556701 | 0.744444 |
52 | AU1 | 0.556701 | 0.797619 |
53 | ADP BMA | 0.556604 | 0.841463 |
54 | ADV | 0.555556 | 0.831325 |
55 | RBY | 0.555556 | 0.831325 |
56 | 4AD | 0.552381 | 0.843373 |
57 | PAJ | 0.552381 | 0.835294 |
58 | ATP | 0.55102 | 0.817073 |
59 | 50T | 0.55102 | 0.785714 |
60 | HEJ | 0.55102 | 0.817073 |
61 | ACP | 0.55102 | 0.797619 |
62 | DLL | 0.54717 | 0.851852 |
63 | 00A | 0.54717 | 0.811765 |
64 | TXA | 0.546296 | 0.853659 |
65 | PTJ | 0.546296 | 0.845238 |
66 | AQP | 0.545455 | 0.817073 |
67 | AR6 | 0.545455 | 0.839506 |
68 | 5FA | 0.545455 | 0.817073 |
69 | APR | 0.545455 | 0.839506 |
70 | ANP | 0.544554 | 0.797619 |
71 | AHZ | 0.54386 | 0.880952 |
72 | 9ZD | 0.542857 | 0.833333 |
73 | 9ZA | 0.542857 | 0.833333 |
74 | OAD | 0.542056 | 0.864198 |
75 | AGS | 0.54 | 0.77907 |
76 | AD9 | 0.54 | 0.797619 |
77 | AR6 AR6 | 0.539823 | 0.8625 |
78 | NAD TDB | 0.538462 | 0.8625 |
79 | NAD IBO | 0.538462 | 0.8625 |
80 | AMO | 0.537736 | 0.831325 |
81 | AMP NAD | 0.53719 | 0.875 |
82 | LAD | 0.537037 | 0.857143 |
83 | ATF | 0.533981 | 0.788235 |
84 | BT5 | 0.532787 | 0.829545 |
85 | ATP A A A | 0.531532 | 0.85 |
86 | ATP A | 0.531532 | 0.85 |
87 | B5Y | 0.531532 | 0.843373 |
88 | ALF ADP 3PG | 0.529915 | 0.813953 |
89 | TAT | 0.529412 | 0.788235 |
90 | ACQ | 0.529412 | 0.797619 |
91 | T99 | 0.529412 | 0.788235 |
92 | 3UK | 0.527778 | 0.841463 |
93 | 9X8 | 0.527778 | 0.821429 |
94 | AOC | 0.526316 | 0.731707 |
95 | YLB | 0.525424 | 0.904762 |
96 | PR8 | 0.522936 | 0.869048 |
97 | B5V | 0.522936 | 0.831325 |
98 | 9SN | 0.522523 | 0.802326 |
99 | AMP DBH | 0.522124 | 0.819277 |
100 | 4UV | 0.522124 | 0.821429 |
101 | LMS | 0.521277 | 0.725275 |
102 | 5AS | 0.520408 | 0.741935 |
103 | A22 | 0.518868 | 0.807229 |
104 | MAP | 0.518868 | 0.77907 |
105 | AHX | 0.518519 | 0.781609 |
106 | BIS | 0.518182 | 0.811765 |
107 | 3OD | 0.518182 | 0.864198 |
108 | NB8 | 0.518182 | 0.802326 |
109 | B5M | 0.517857 | 0.843373 |
110 | AF3 ADP 3PG | 0.516949 | 0.813953 |
111 | 6YZ | 0.514286 | 0.797619 |
112 | 25A | 0.514019 | 0.817073 |
113 | OZV | 0.514019 | 0.817073 |
114 | 7MD | 0.513043 | 0.837209 |
115 | 4UU | 0.513043 | 0.821429 |
116 | YLP | 0.512821 | 0.904762 |
117 | 7MC | 0.512605 | 0.860465 |
118 | NAD | 0.512195 | 0.851852 |
119 | HQG | 0.509434 | 0.829268 |
120 | A1R | 0.509259 | 0.811765 |
121 | A3R | 0.509259 | 0.811765 |
122 | 4UW | 0.508475 | 0.835294 |
123 | NAQ | 0.507812 | 0.86747 |
124 | H1Q | 0.504951 | 0.804878 |
125 | FA5 | 0.504425 | 0.831325 |
126 | A3D | 0.504 | 0.864198 |
127 | XAH | 0.5 | 0.816092 |
128 | 4TA | 0.5 | 0.827586 |
129 | LEU LMS | 0.5 | 0.752688 |
130 | AYB | 0.495935 | 0.894118 |
131 | TAD | 0.495726 | 0.793103 |
132 | ADQ | 0.495413 | 0.819277 |
133 | IOT | 0.491803 | 0.829545 |
134 | KMQ | 0.491228 | 0.853659 |
135 | NVA LMS | 0.490909 | 0.774194 |
136 | JNT | 0.490909 | 0.819277 |
137 | TSB | 0.490741 | 0.73913 |
138 | A5A | 0.490566 | 0.747253 |
139 | G5A | 0.490385 | 0.705263 |
140 | 5CD | 0.488889 | 0.716049 |
141 | ADN | 0.488636 | 0.728395 |
142 | RAB | 0.488636 | 0.728395 |
143 | XYA | 0.488636 | 0.728395 |
144 | NAE | 0.488372 | 0.865854 |
145 | NAJ PZO | 0.488189 | 0.802326 |
146 | YLC | 0.487603 | 0.858824 |
147 | 25L | 0.486726 | 0.807229 |
148 | K15 | 0.486486 | 0.831325 |
149 | NAJ PYZ | 0.484615 | 0.766667 |
150 | 3DH | 0.484211 | 0.753086 |
151 | NAI | 0.483333 | 0.790698 |
152 | DQV | 0.483051 | 0.829268 |
153 | GTA | 0.483051 | 0.795455 |
154 | VMS | 0.481481 | 0.731183 |
155 | 54H | 0.481481 | 0.731183 |
156 | 52H | 0.481481 | 0.723404 |
157 | F2R | 0.48 | 0.797753 |
158 | JB6 | 0.477876 | 0.811765 |
159 | FYA | 0.477876 | 0.807229 |
160 | 9K8 | 0.477876 | 0.71875 |
161 | 5N5 | 0.477778 | 0.707317 |
162 | Z5A | 0.477273 | 0.8 |
163 | 53H | 0.477064 | 0.723404 |
164 | 48N | 0.475 | 0.845238 |
165 | EP4 | 0.473118 | 0.714286 |
166 | A4D | 0.472527 | 0.707317 |
167 | SSA | 0.472222 | 0.705263 |
168 | CNA | 0.472 | 0.831325 |
169 | DND | 0.471074 | 0.853659 |
170 | LSS | 0.468468 | 0.726316 |
171 | NSS | 0.468468 | 0.723404 |
172 | M2T | 0.468085 | 0.717647 |
173 | DTA | 0.468085 | 0.722892 |
174 | TXE | 0.467213 | 0.811765 |
175 | TYM | 0.467213 | 0.831325 |
176 | G3A | 0.466102 | 0.781609 |
177 | BTX | 0.464567 | 0.818182 |
178 | COD | 0.464567 | 0.831461 |
179 | YLA | 0.464 | 0.83908 |
180 | T5A | 0.464 | 0.797753 |
181 | 8X1 | 0.463636 | 0.701031 |
182 | 5CA | 0.463636 | 0.705263 |
183 | L3W | 0.463415 | 0.809524 |
184 | MTA | 0.463158 | 0.731707 |
185 | GA7 | 0.462185 | 0.809524 |
186 | G5P | 0.462185 | 0.781609 |
187 | PLM COA | 0.462069 | 0.876405 |
188 | DAO COA | 0.462069 | 0.876405 |
189 | DKA COA | 0.462069 | 0.876405 |
190 | DCR COA | 0.462069 | 0.876405 |
191 | X90 COA | 0.462069 | 0.876405 |
192 | EO3 COA | 0.462069 | 0.876405 |
193 | MYR COA | 0.462069 | 0.876405 |
194 | DZD | 0.460938 | 0.813953 |
195 | PO4 PO4 A A A A PO4 | 0.460177 | 0.825 |
196 | J7C | 0.46 | 0.689655 |
197 | UP5 | 0.459016 | 0.8 |
198 | TXD | 0.459016 | 0.811765 |
199 | 6V0 | 0.459016 | 0.781609 |
200 | NAX | 0.459016 | 0.784091 |
201 | ZID | 0.458647 | 0.841463 |
202 | KH3 | 0.458333 | 0.821429 |
203 | YLY | 0.458015 | 0.916667 |
204 | GSU | 0.45614 | 0.741935 |
205 | KAA | 0.45614 | 0.736842 |
206 | P5A | 0.45614 | 0.747368 |
207 | S4M | 0.455446 | 0.770115 |
208 | DSZ | 0.455357 | 0.723404 |
209 | 649 | 0.455285 | 0.747368 |
210 | 6RE | 0.454545 | 0.701149 |
211 | 7C5 | 0.453782 | 0.752941 |
212 | NDC | 0.453237 | 0.890244 |
213 | 139 | 0.452381 | 0.804598 |
214 | AP0 | 0.451613 | 0.802326 |
215 | 4TC | 0.451613 | 0.781609 |
216 | UPA | 0.451613 | 0.790698 |
217 | NAD BBN | 0.451389 | 0.758242 |
218 | A3P | 0.45098 | 0.814815 |
219 | A2P | 0.45098 | 0.802469 |
220 | AFH | 0.45 | 0.772727 |
221 | YSA | 0.449153 | 0.705263 |
222 | 3AM | 0.44898 | 0.780488 |
223 | A4P | 0.448 | 0.723404 |
224 | 5X8 | 0.447619 | 0.722892 |
225 | M24 | 0.44697 | 0.784091 |
226 | SAM | 0.444444 | 0.776471 |
227 | 7D5 | 0.443299 | 0.761905 |
228 | N01 | 0.442748 | 0.875 |
229 | 0UM | 0.442478 | 0.807229 |
230 | NMN AMP PO4 | 0.44186 | 0.821429 |
231 | 6MZ | 0.441176 | 0.804878 |
232 | GJV | 0.441176 | 0.712644 |
233 | NWW | 0.44086 | 0.675 |
234 | 8PZ | 0.440678 | 0.705263 |
235 | AAT | 0.440367 | 0.712644 |
236 | SA8 | 0.439252 | 0.77381 |
237 | ATR | 0.439252 | 0.792683 |
238 | PAP | 0.439252 | 0.804878 |
239 | P1H | 0.438849 | 0.827586 |
240 | NDE | 0.438849 | 0.831325 |
241 | FAD CNX | 0.437909 | 0.821053 |
242 | B1U | 0.436975 | 0.686869 |
243 | MAO | 0.436893 | 0.761364 |
244 | DSH | 0.435644 | 0.729412 |
245 | NEC | 0.435644 | 0.707317 |
246 | NAD CJ3 | 0.435374 | 0.734043 |
247 | SAH | 0.435185 | 0.746988 |
248 | O02 | 0.435185 | 0.781609 |
249 | 80F | 0.435115 | 0.758242 |
250 | 4YB | 0.434426 | 0.726316 |
251 | SFG | 0.433962 | 0.753086 |
252 | 5AD | 0.433333 | 0.683544 |
253 | D4F | 0.432836 | 0.775281 |
254 | SMM | 0.432432 | 0.790698 |
255 | V47 | 0.432432 | 0.7625 |
256 | S7M | 0.432432 | 0.797619 |
257 | 6NA COA | 0.431507 | 0.876405 |
258 | A3N | 0.431373 | 0.682353 |
259 | V3L | 0.431193 | 0.839506 |
260 | J4G | 0.431034 | 0.843373 |
261 | ZAS | 0.43 | 0.705882 |
262 | 2A5 | 0.429907 | 0.797619 |
263 | K3K | 0.428571 | 0.697674 |
264 | EEM | 0.427273 | 0.776471 |
265 | 7D3 | 0.427184 | 0.764706 |
266 | N0B | 0.426471 | 0.83908 |
267 | ARU | 0.426087 | 0.772727 |
268 | ST9 | 0.425676 | 0.846154 |
269 | MYA | 0.425676 | 0.846154 |
270 | MFK | 0.425676 | 0.846154 |
271 | DCC | 0.425676 | 0.846154 |
272 | 5F9 | 0.425676 | 0.846154 |
273 | UCC | 0.425676 | 0.846154 |
274 | MHZ | 0.424528 | 0.761364 |
275 | 2AM | 0.424242 | 0.771084 |
276 | SAI | 0.422018 | 0.738095 |
277 | A3G | 0.421569 | 0.714286 |
278 | K3E | 0.421488 | 0.689655 |
279 | GEK | 0.421053 | 0.761905 |
280 | EAD | 0.42029 | 0.804598 |
281 | NAD NDT | 0.419355 | 0.679612 |
282 | CO8 | 0.418919 | 0.846154 |
283 | ADJ | 0.418605 | 0.806818 |
284 | 6IA | 0.418182 | 0.793103 |
285 | IMO | 0.417476 | 0.780488 |
286 | NHW | 0.417219 | 0.846154 |
287 | NHM | 0.417219 | 0.846154 |
288 | UOQ | 0.417219 | 0.846154 |
289 | NAP | 0.416058 | 0.841463 |
290 | KOY | 0.416 | 0.780488 |
291 | A2R | 0.415929 | 0.829268 |
292 | PPS | 0.414414 | 0.725275 |
293 | 6AD | 0.414414 | 0.772727 |
294 | 62X | 0.413793 | 0.790698 |
295 | 0ET | 0.413333 | 0.846154 |
296 | NVA 2AD | 0.412844 | 0.783133 |
297 | OVE | 0.411765 | 0.744186 |
298 | 7D4 | 0.411215 | 0.764706 |
299 | ITT | 0.411215 | 0.771084 |
300 | HYC | 0.410959 | 0.855422 |
301 | NA0 | 0.410072 | 0.853659 |
302 | NWQ | 0.41 | 0.679012 |
303 | WSA | 0.409449 | 0.712766 |
304 | NHD | 0.409091 | 0.829268 |
305 | VRT | 0.409091 | 0.771084 |
306 | COA FLC | 0.408759 | 0.852273 |
307 | QXP | 0.408696 | 0.673684 |
308 | A3T | 0.407407 | 0.753086 |
309 | 8Q2 | 0.40625 | 0.683673 |
310 | MRR | 0.405229 | 0.846154 |
311 | MRS | 0.405229 | 0.846154 |
312 | CNV FAD | 0.405229 | 0.755319 |
313 | FB0 | 0.402778 | 0.844444 |
314 | A7D | 0.401869 | 0.73494 |
315 | A3S | 0.401869 | 0.722892 |
316 | K2H | 0.401709 | 0.697674 |
317 | 0T1 | 0.40146 | 0.842697 |
318 | A5D | 0.4 | 0.722892 |
319 | KY2 | 0.4 | 0.715909 |
320 | FAD T2C | 0.4 | 0.734694 |
321 | N5A | 0.4 | 0.678571 |
322 | PLP AAD | 0.4 | 0.755319 |
No: | Ligand | Similarity coefficient |
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