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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 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 | F2R | 1 | 1 |
2 | A2D | 0.613861 | 0.841463 |
3 | YLP | 0.590164 | 0.883721 |
4 | YLC | 0.58871 | 0.904762 |
5 | BA3 | 0.586538 | 0.841463 |
6 | OAD | 0.582609 | 0.865854 |
7 | AP5 | 0.580952 | 0.841463 |
8 | ADP | 0.580952 | 0.864198 |
9 | B4P | 0.580952 | 0.841463 |
10 | HQG | 0.580357 | 0.876543 |
11 | IOT | 0.579365 | 0.963855 |
12 | LAD | 0.577586 | 0.926829 |
13 | YLB | 0.576 | 0.883721 |
14 | AN2 | 0.575472 | 0.853659 |
15 | APR | 0.574074 | 0.864198 |
16 | AR6 | 0.574074 | 0.864198 |
17 | 3OD | 0.57265 | 0.865854 |
18 | AYB | 0.570312 | 0.873563 |
19 | CA0 | 0.570093 | 0.865854 |
20 | ADX | 0.570093 | 0.766667 |
21 | M33 | 0.570093 | 0.831325 |
22 | 9X8 | 0.568965 | 0.823529 |
23 | 5AL | 0.567568 | 0.853659 |
24 | HEJ | 0.564815 | 0.864198 |
25 | ATP | 0.564815 | 0.864198 |
26 | KG4 | 0.564815 | 0.865854 |
27 | YLA | 0.5625 | 0.883721 |
28 | AT4 | 0.560748 | 0.833333 |
29 | 5FA | 0.559633 | 0.864198 |
30 | AQP | 0.559633 | 0.864198 |
31 | TXA | 0.559322 | 0.855422 |
32 | SRP | 0.557522 | 0.901235 |
33 | OMR | 0.555556 | 0.829545 |
34 | AGS | 0.554545 | 0.823529 |
35 | AD9 | 0.554545 | 0.843373 |
36 | XAH | 0.553719 | 0.882353 |
37 | ARG AMP | 0.552846 | 0.963415 |
38 | A1R | 0.551724 | 0.879518 |
39 | AMO | 0.551724 | 0.901235 |
40 | ACP | 0.550459 | 0.865854 |
41 | QA7 | 0.547826 | 0.823529 |
42 | 8LQ | 0.547826 | 0.855422 |
43 | A22 | 0.547826 | 0.853659 |
44 | AHX | 0.547009 | 0.869048 |
45 | ME8 | 0.546219 | 0.83908 |
46 | ANP | 0.544643 | 0.843373 |
47 | 8LH | 0.54386 | 0.855422 |
48 | 8QN | 0.543103 | 0.853659 |
49 | 8LE | 0.539823 | 0.823529 |
50 | 48N | 0.539683 | 0.891566 |
51 | WAQ | 0.537815 | 0.879518 |
52 | 50T | 0.536364 | 0.831325 |
53 | DND | 0.535433 | 0.855422 |
54 | JNT | 0.533898 | 0.865854 |
55 | NB8 | 0.533333 | 0.869048 |
56 | PRX | 0.531532 | 0.8 |
57 | ACQ | 0.530973 | 0.865854 |
58 | YLY | 0.529412 | 0.873563 |
59 | N0B | 0.528986 | 0.883721 |
60 | PAJ | 0.525424 | 0.837209 |
61 | A3R | 0.525424 | 0.879518 |
62 | 4AD | 0.525424 | 0.890244 |
63 | A | 0.52381 | 0.839506 |
64 | AMP | 0.52381 | 0.839506 |
65 | ABM | 0.523364 | 0.797619 |
66 | 45A | 0.523364 | 0.797619 |
67 | ATF | 0.521739 | 0.833333 |
68 | DAL AMP | 0.521368 | 0.831325 |
69 | DLL | 0.521008 | 0.853659 |
70 | 00A | 0.521008 | 0.813953 |
71 | 1ZZ | 0.520661 | 0.818182 |
72 | BIS | 0.520661 | 0.857143 |
73 | PTJ | 0.520661 | 0.825581 |
74 | KMQ | 0.520325 | 0.833333 |
75 | AMP MG | 0.518868 | 0.804878 |
76 | 80F | 0.518519 | 0.820225 |
77 | 6YZ | 0.517241 | 0.865854 |
78 | 9ZA | 0.516949 | 0.835294 |
79 | 9ZD | 0.516949 | 0.835294 |
80 | L3W | 0.515385 | 0.833333 |
81 | COD | 0.514925 | 0.853933 |
82 | APC MG | 0.513274 | 0.797619 |
83 | V2G | 0.513043 | 0.891566 |
84 | ADQ | 0.512605 | 0.865854 |
85 | NAX | 0.511628 | 0.848837 |
86 | TXD | 0.511628 | 0.835294 |
87 | CNA | 0.511278 | 0.855422 |
88 | FA5 | 0.508065 | 0.878049 |
89 | TXE | 0.507692 | 0.835294 |
90 | ADP BEF | 0.504505 | 0.817073 |
91 | ADP MG | 0.504505 | 0.817073 |
92 | GAP | 0.504348 | 0.865854 |
93 | 5SV | 0.504202 | 0.784091 |
94 | OOB | 0.504202 | 0.853659 |
95 | AU1 | 0.5 | 0.843373 |
96 | A12 | 0.5 | 0.855422 |
97 | AP2 | 0.5 | 0.855422 |
98 | 9SN | 0.5 | 0.804598 |
99 | DQV | 0.5 | 0.853659 |
100 | NAI | 0.5 | 0.813953 |
101 | G3A | 0.496063 | 0.891566 |
102 | FYA | 0.495935 | 0.831325 |
103 | ADJ | 0.492537 | 0.829545 |
104 | AP0 | 0.492424 | 0.784091 |
105 | AFH | 0.492188 | 0.837209 |
106 | G5P | 0.492188 | 0.891566 |
107 | 25L | 0.491935 | 0.853659 |
108 | 3UK | 0.491803 | 0.843373 |
109 | OZV | 0.491667 | 0.841463 |
110 | TAT | 0.491379 | 0.833333 |
111 | T99 | 0.491379 | 0.833333 |
112 | APC | 0.491228 | 0.855422 |
113 | SON | 0.491071 | 0.878049 |
114 | SRA | 0.490741 | 0.8 |
115 | 6V0 | 0.48855 | 0.825581 |
116 | GTA | 0.488372 | 0.860465 |
117 | B5V | 0.487805 | 0.833333 |
118 | PR8 | 0.487805 | 0.915663 |
119 | ADP PO3 | 0.486957 | 0.817073 |
120 | ATP MG | 0.486957 | 0.817073 |
121 | A3D | 0.485507 | 0.821429 |
122 | LAQ | 0.484615 | 0.818182 |
123 | B5Y | 0.484127 | 0.823529 |
124 | B5M | 0.484127 | 0.823529 |
125 | ANP MG | 0.483051 | 0.809524 |
126 | BEF ADP | 0.482759 | 0.797619 |
127 | NAD | 0.481752 | 0.831325 |
128 | 7MD | 0.48062 | 0.927711 |
129 | KYE | 0.480315 | 0.845238 |
130 | MYR AMP | 0.48 | 0.797753 |
131 | 25A | 0.479339 | 0.841463 |
132 | 4UV | 0.476562 | 0.823529 |
133 | KAA | 0.475806 | 0.795699 |
134 | ADV | 0.474138 | 0.855422 |
135 | SA8 | 0.474138 | 0.735632 |
136 | RBY | 0.474138 | 0.855422 |
137 | TYM | 0.473684 | 0.878049 |
138 | MAP | 0.471074 | 0.823529 |
139 | TSB | 0.471074 | 0.741935 |
140 | VO4 ADP | 0.470588 | 0.821429 |
141 | ALF ADP | 0.470588 | 0.761364 |
142 | A5A | 0.470588 | 0.731183 |
143 | SFG | 0.469565 | 0.756098 |
144 | 4UU | 0.469231 | 0.823529 |
145 | NAQ | 0.468531 | 0.784091 |
146 | A4P | 0.466667 | 0.885057 |
147 | S7M | 0.466667 | 0.7 |
148 | SSA | 0.466667 | 0.782609 |
149 | 4UW | 0.466165 | 0.795455 |
150 | GJV | 0.464286 | 0.841463 |
151 | GSU | 0.464 | 0.782609 |
152 | J4G | 0.464 | 0.91358 |
153 | LSS | 0.463415 | 0.729167 |
154 | DSZ | 0.463415 | 0.782609 |
155 | 0UM | 0.463415 | 0.767442 |
156 | VMS | 0.46281 | 0.715789 |
157 | 54H | 0.46281 | 0.715789 |
158 | EEM | 0.462185 | 0.7 |
159 | AHZ | 0.462121 | 0.777778 |
160 | NAE | 0.461538 | 0.802326 |
161 | FB0 | 0.46 | 0.846154 |
162 | NVA LMS | 0.459677 | 0.739583 |
163 | 53H | 0.459016 | 0.708333 |
164 | 5CA | 0.459016 | 0.782609 |
165 | EAD | 0.458904 | 0.806818 |
166 | GA7 | 0.458015 | 0.833333 |
167 | SAH | 0.457627 | 0.75 |
168 | SAI | 0.457627 | 0.741176 |
169 | BT5 | 0.457143 | 0.852273 |
170 | 5X8 | 0.456897 | 0.746988 |
171 | 5AS | 0.45614 | 0.726316 |
172 | K15 | 0.456 | 0.730337 |
173 | UP5 | 0.455224 | 0.823529 |
174 | TAD | 0.454545 | 0.816092 |
175 | LMS | 0.454545 | 0.728261 |
176 | AMP DBH | 0.453846 | 0.8 |
177 | 2A5 | 0.452991 | 0.865854 |
178 | A2R | 0.45082 | 0.876543 |
179 | 52H | 0.45082 | 0.708333 |
180 | 6AD | 0.45 | 0.795455 |
181 | T5A | 0.449275 | 0.8 |
182 | 139 | 0.449275 | 0.827586 |
183 | ATR | 0.449153 | 0.839506 |
184 | PAP | 0.449153 | 0.851852 |
185 | NAD TDB | 0.448529 | 0.819277 |
186 | 7MC | 0.448529 | 0.905882 |
187 | NAD IBO | 0.448529 | 0.819277 |
188 | 62X | 0.448 | 0.714286 |
189 | LPA AMP | 0.447761 | 0.797753 |
190 | P1H | 0.446667 | 0.808989 |
191 | G5A | 0.445378 | 0.782609 |
192 | ZID | 0.445205 | 0.821429 |
193 | ADP BMA | 0.444444 | 0.843373 |
194 | LEU LMS | 0.444444 | 0.736842 |
195 | NMX | 0.443709 | 0.821053 |
196 | J7C | 0.442478 | 0.839506 |
197 | AF3 ADP 3PG | 0.441176 | 0.795455 |
198 | NSS | 0.44 | 0.763441 |
199 | CMX | 0.439189 | 0.886364 |
200 | 7D3 | 0.438596 | 0.809524 |
201 | PPS | 0.438017 | 0.766667 |
202 | 4TC | 0.437956 | 0.825581 |
203 | 6RE | 0.4375 | 0.829268 |
204 | NDE | 0.437086 | 0.833333 |
205 | MCD | 0.437086 | 0.866667 |
206 | FCX | 0.436242 | 0.857143 |
207 | 7D4 | 0.435897 | 0.809524 |
208 | YSA | 0.435115 | 0.744681 |
209 | EU9 | 0.433824 | 0.712766 |
210 | HFD | 0.433333 | 0.823529 |
211 | JSQ | 0.433333 | 0.823529 |
212 | NA7 | 0.433071 | 0.855422 |
213 | KH3 | 0.432836 | 0.741573 |
214 | KXW | 0.432836 | 0.776471 |
215 | AMX | 0.432432 | 0.875 |
216 | AVV | 0.432 | 0.804598 |
217 | D4F | 0.431507 | 0.83908 |
218 | SMM | 0.430894 | 0.695652 |
219 | ALF ADP 3PG | 0.430657 | 0.795455 |
220 | SAM | 0.429752 | 0.7 |
221 | AMP NAD | 0.429577 | 0.831325 |
222 | BTX | 0.429577 | 0.840909 |
223 | SCO | 0.42953 | 0.886364 |
224 | CA6 | 0.427632 | 0.77 |
225 | DCA | 0.427586 | 0.844444 |
226 | ETB | 0.427586 | 0.853933 |
227 | ATP A | 0.427481 | 0.807229 |
228 | ATP A A A | 0.427481 | 0.807229 |
229 | SFD | 0.426752 | 0.74 |
230 | FAM | 0.426667 | 0.846154 |
231 | JB6 | 0.426357 | 0.813953 |
232 | ARU | 0.425197 | 0.775281 |
233 | M24 | 0.424658 | 0.786517 |
234 | 8X1 | 0.424 | 0.776596 |
235 | HAX | 0.423841 | 0.846154 |
236 | ITT | 0.423729 | 0.817073 |
237 | 6FA | 0.423077 | 0.840909 |
238 | NJP | 0.422535 | 0.845238 |
239 | CAJ | 0.422078 | 0.866667 |
240 | SCD | 0.422078 | 0.886364 |
241 | COA | 0.421769 | 0.865169 |
242 | 0T1 | 0.421769 | 0.865169 |
243 | AOC | 0.421053 | 0.714286 |
244 | NAJ PZO | 0.42069 | 0.764045 |
245 | WSA | 0.42029 | 0.752688 |
246 | H1Q | 0.420168 | 0.785714 |
247 | Q2P | 0.41958 | 0.703297 |
248 | 0WD | 0.41958 | 0.825581 |
249 | KGJ | 0.419355 | 0.831579 |
250 | HZ2 | 0.419118 | 0.8 |
251 | P5A | 0.418605 | 0.787234 |
252 | NPW | 0.41844 | 0.860465 |
253 | Q34 | 0.417266 | 0.703297 |
254 | UPA | 0.417266 | 0.835294 |
255 | F0P | 0.417266 | 0.776471 |
256 | 8PZ | 0.416667 | 0.763441 |
257 | DZD | 0.416667 | 0.837209 |
258 | FNK | 0.416149 | 0.787234 |
259 | OZP | 0.416058 | 0.776471 |
260 | NO7 | 0.416 | 0.855422 |
261 | TXP | 0.415493 | 0.847059 |
262 | 9K8 | 0.415385 | 0.67 |
263 | A3S | 0.415254 | 0.790123 |
264 | AR6 AR6 | 0.414815 | 0.819277 |
265 | B1U | 0.413534 | 0.69 |
266 | CAO | 0.413333 | 0.836957 |
267 | COS | 0.413333 | 0.846154 |
268 | 30N | 0.413333 | 0.793814 |
269 | HY8 | 0.413043 | 0.8 |
270 | NDC | 0.412903 | 0.825581 |
271 | EP4 | 0.412844 | 0.678161 |
272 | ODP | 0.412587 | 0.858824 |
273 | KB1 | 0.412214 | 0.727273 |
274 | FYN | 0.411765 | 0.865169 |
275 | CA8 | 0.411392 | 0.77 |
276 | KGA | 0.411392 | 0.842105 |
277 | 5CD | 0.411215 | 0.698795 |
278 | 3DH | 0.410714 | 0.674419 |
279 | A3P | 0.410256 | 0.839506 |
280 | N9V | 0.409938 | 0.836957 |
281 | 9JJ | 0.409639 | 0.777778 |
282 | RAB | 0.409524 | 0.753086 |
283 | XYA | 0.409524 | 0.753086 |
284 | ADN | 0.409524 | 0.753086 |
285 | NAJ PYZ | 0.409396 | 0.731183 |
286 | YZS | 0.409091 | 0.77 |
287 | KGP | 0.409091 | 0.77 |
288 | OXK | 0.409091 | 0.866667 |
289 | FAD | 0.408805 | 0.850575 |
290 | FAS | 0.408805 | 0.850575 |
291 | NDP | 0.408451 | 0.825581 |
292 | A3T | 0.408333 | 0.756098 |
293 | ACO | 0.407895 | 0.836957 |
294 | FDA | 0.407643 | 0.793478 |
295 | MCA | 0.407643 | 0.857143 |
296 | Q2M | 0.407143 | 0.719101 |
297 | 6IA | 0.406504 | 0.837209 |
298 | 1VU | 0.406452 | 0.836957 |
299 | CMC | 0.406452 | 0.866667 |
300 | MTA | 0.405405 | 0.674419 |
301 | 2CP | 0.405063 | 0.857143 |
302 | YXR | 0.405063 | 0.77 |
303 | YXS | 0.405063 | 0.77 |
304 | FAY | 0.404908 | 0.860465 |
305 | P5F | 0.404762 | 0.844444 |
306 | J7V | 0.403974 | 0.793478 |
307 | 2MC | 0.403846 | 0.810526 |
308 | 3KK | 0.402597 | 0.846154 |
309 | KFV | 0.402516 | 0.814433 |
310 | 3CP | 0.402516 | 0.866667 |
311 | 5N5 | 0.401869 | 0.753086 |
312 | 7D5 | 0.401786 | 0.785714 |
313 | KY2 | 0.401575 | 0.821429 |
314 | GGZ | 0.401575 | 0.725275 |
315 | 4YB | 0.40146 | 0.765957 |
316 | 7L1 | 0.401316 | 0.836957 |
317 | NA0 | 0.401316 | 0.833333 |
318 | MLC | 0.401274 | 0.866667 |
319 | A1S | 0.401274 | 0.846154 |
320 | COK | 0.4 | 0.846154 |
321 | 2SA | 0.4 | 0.901235 |
322 | AV2 | 0.4 | 0.797619 |
323 | SOP | 0.4 | 0.846154 |
No: | Ligand | Similarity coefficient |
---|
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 |