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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 5 families. | |||||
1 | 6WUF | - | UBG | C27 H34 N9 O18 P3 | Cc1cc2c(cc.... |
2 | 6WUK | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
3 | 4J7N | - | 9MG | C6 H7 N5 O | Cn1cnc2c1n.... |
4 | 6AIY | - | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
5 | 6AIX | Kd < 30 mM | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
6 | 5ULI | - | 0WD | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 6WUF | - | UBG | C27 H34 N9 O18 P3 | Cc1cc2c(cc.... |
2 | 6WUK | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
3 | 4J7N | - | 9MG | C6 H7 N5 O | Cn1cnc2c1n.... |
4 | 6AIY | - | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
5 | 6AIX | Kd < 30 mM | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
6 | 5ULI | - | 0WD | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0WD | 1 | 1 |
2 | NDP | 0.827273 | 1 |
3 | NAI | 0.814815 | 0.986842 |
4 | NMN AMP PO4 | 0.672131 | 0.948052 |
5 | PAP | 0.622642 | 0.907895 |
6 | AP0 | 0.609756 | 0.948718 |
7 | PPS | 0.590909 | 0.811765 |
8 | 1DG | 0.589552 | 1 |
9 | DG1 | 0.589552 | 1 |
10 | NPW | 0.582677 | 0.962025 |
11 | A3P | 0.580952 | 0.894737 |
12 | NZQ | 0.565891 | 0.987013 |
13 | NAX | 0.555556 | 0.949367 |
14 | 80F | 0.548872 | 0.914634 |
15 | A22 | 0.543103 | 0.934211 |
16 | DCA | 0.540741 | 0.788889 |
17 | ETB | 0.540741 | 0.797753 |
18 | EAD | 0.539568 | 0.949367 |
19 | 0T1 | 0.532847 | 0.788889 |
20 | 6V0 | 0.53125 | 0.974026 |
21 | TXP | 0.530303 | 0.924051 |
22 | PUA | 0.525547 | 0.9125 |
23 | P1H | 0.524476 | 0.925926 |
24 | COA | 0.521739 | 0.788889 |
25 | A2R | 0.521368 | 0.909091 |
26 | A2D | 0.518519 | 0.921053 |
27 | TXE | 0.515385 | 0.935897 |
28 | NA7 | 0.512397 | 0.886076 |
29 | XNP | 0.511111 | 0.949367 |
30 | CAO | 0.510638 | 0.763441 |
31 | AMX | 0.510638 | 0.797753 |
32 | COS | 0.510638 | 0.771739 |
33 | 30N | 0.510638 | 0.72449 |
34 | 3AM | 0.509434 | 0.857143 |
35 | ATR | 0.508772 | 0.894737 |
36 | AGS | 0.508772 | 0.875 |
37 | TXD | 0.507692 | 0.911392 |
38 | SCO | 0.507042 | 0.788889 |
39 | CMX | 0.507042 | 0.788889 |
40 | 3OD | 0.504065 | 0.897436 |
41 | ACO | 0.503497 | 0.763441 |
42 | FCX | 0.503497 | 0.763441 |
43 | FAM | 0.503497 | 0.771739 |
44 | OXK | 0.503448 | 0.771739 |
45 | IVC | 0.503401 | 0.78022 |
46 | 1VU | 0.5 | 0.763441 |
47 | HAX | 0.5 | 0.771739 |
48 | CAJ | 0.496599 | 0.771739 |
49 | FYN | 0.496552 | 0.788889 |
50 | 3KK | 0.496552 | 0.771739 |
51 | HQG | 0.495798 | 0.909091 |
52 | BA3 | 0.495495 | 0.921053 |
53 | IRC | 0.493333 | 0.78022 |
54 | A1S | 0.493243 | 0.771739 |
55 | 3HC | 0.493243 | 0.78022 |
56 | MLC | 0.493243 | 0.771739 |
57 | 1HE | 0.493243 | 0.755319 |
58 | BCO | 0.493243 | 0.771739 |
59 | MCD | 0.493151 | 0.771739 |
60 | YZS | 0.493151 | 0.70297 |
61 | CA6 | 0.493151 | 0.70297 |
62 | SOP | 0.493151 | 0.771739 |
63 | COK | 0.493151 | 0.771739 |
64 | KGP | 0.493151 | 0.70297 |
65 | NJP | 0.492647 | 0.923077 |
66 | HEJ | 0.491228 | 0.921053 |
67 | ATP | 0.491228 | 0.921053 |
68 | ADP | 0.491071 | 0.921053 |
69 | AP5 | 0.491071 | 0.921053 |
70 | B4P | 0.491071 | 0.921053 |
71 | SO5 | 0.489933 | 0.696078 |
72 | CAA | 0.489933 | 0.78022 |
73 | LCV | 0.489933 | 0.696078 |
74 | MCA | 0.489933 | 0.763441 |
75 | NMX | 0.489796 | 0.731959 |
76 | CO6 | 0.489796 | 0.771739 |
77 | CMC | 0.489796 | 0.771739 |
78 | NAJ PZO | 0.489209 | 0.924051 |
79 | AQP | 0.486957 | 0.921053 |
80 | 5FA | 0.486957 | 0.921053 |
81 | AR6 | 0.486957 | 0.896104 |
82 | APR | 0.486957 | 0.896104 |
83 | AN2 | 0.486726 | 0.909091 |
84 | MC4 | 0.486667 | 0.787234 |
85 | SCD | 0.486486 | 0.788889 |
86 | 2MC | 0.486486 | 0.795699 |
87 | APU | 0.485075 | 0.923077 |
88 | HGG | 0.483444 | 0.771739 |
89 | KGJ | 0.483221 | 0.72449 |
90 | 9BG | 0.481752 | 0.876543 |
91 | YE1 | 0.48 | 0.8 |
92 | COO | 0.48 | 0.791209 |
93 | PAX | 0.479167 | 0.902439 |
94 | 50T | 0.478261 | 0.884615 |
95 | HXC | 0.477124 | 0.755319 |
96 | SCA | 0.476821 | 0.771739 |
97 | YXS | 0.476821 | 0.70297 |
98 | 2CP | 0.476821 | 0.763441 |
99 | YXR | 0.476821 | 0.70297 |
100 | 25L | 0.47619 | 0.934211 |
101 | OAD | 0.475806 | 0.897436 |
102 | NAJ PYZ | 0.475524 | 0.879518 |
103 | SRP | 0.475 | 0.8625 |
104 | ANP | 0.474576 | 0.897436 |
105 | KFV | 0.473684 | 0.71 |
106 | KGA | 0.473684 | 0.717172 |
107 | CA8 | 0.473684 | 0.72 |
108 | UP5 | 0.473684 | 0.948052 |
109 | 3CP | 0.473684 | 0.771739 |
110 | COW | 0.473684 | 0.782609 |
111 | COF | 0.473684 | 0.755319 |
112 | 2KQ | 0.473684 | 0.755319 |
113 | AT4 | 0.473684 | 0.886076 |
114 | BYC | 0.473684 | 0.791209 |
115 | 1GZ | 0.473684 | 0.782609 |
116 | 4AD | 0.471545 | 0.875 |
117 | ADQ | 0.471545 | 0.897436 |
118 | A1R | 0.471545 | 0.841463 |
119 | 1CZ | 0.470968 | 0.763441 |
120 | N9V | 0.470968 | 0.802198 |
121 | CO8 | 0.470968 | 0.755319 |
122 | 4CA | 0.470588 | 0.782609 |
123 | BCA | 0.470588 | 0.782609 |
124 | FAQ | 0.470588 | 0.791209 |
125 | AD9 | 0.470085 | 0.897436 |
126 | M33 | 0.469565 | 0.884615 |
127 | CA0 | 0.469565 | 0.897436 |
128 | A2P | 0.469027 | 0.881579 |
129 | ATP A A A | 0.46875 | 0.883117 |
130 | ATP A | 0.46875 | 0.883117 |
131 | HDC | 0.468354 | 0.755319 |
132 | 4KX | 0.468354 | 0.824176 |
133 | UCC | 0.467949 | 0.755319 |
134 | 5F9 | 0.467949 | 0.755319 |
135 | ST9 | 0.467949 | 0.755319 |
136 | MFK | 0.467949 | 0.755319 |
137 | DCC | 0.467949 | 0.755319 |
138 | MYA | 0.467949 | 0.755319 |
139 | GRA | 0.467532 | 0.771739 |
140 | 8LQ | 0.467213 | 0.8625 |
141 | ADJ | 0.467153 | 0.879518 |
142 | ACP | 0.465517 | 0.897436 |
143 | KG4 | 0.465517 | 0.897436 |
144 | 0ET | 0.464968 | 0.755319 |
145 | TGC | 0.464516 | 0.763441 |
146 | 9X8 | 0.464 | 0.851852 |
147 | 25A | 0.463415 | 0.921053 |
148 | J5H | 0.4625 | 0.791209 |
149 | ACQ | 0.462185 | 0.897436 |
150 | DQV | 0.462121 | 0.934211 |
151 | CS8 | 0.462025 | 0.747368 |
152 | CIC | 0.461538 | 0.771739 |
153 | 2NE | 0.461538 | 0.774194 |
154 | 2A5 | 0.461538 | 0.85 |
155 | PRX | 0.461538 | 0.82716 |
156 | S0N | 0.461538 | 0.791209 |
157 | CCQ | 0.461538 | 0.739583 |
158 | A3R | 0.459677 | 0.841463 |
159 | UOQ | 0.459119 | 0.755319 |
160 | NHW | 0.459119 | 0.755319 |
161 | NHM | 0.459119 | 0.755319 |
162 | 0FQ | 0.458599 | 0.791209 |
163 | 4CO | 0.458599 | 0.782609 |
164 | 5AL | 0.458333 | 0.884615 |
165 | ADX | 0.456897 | 0.811765 |
166 | MRR | 0.45625 | 0.755319 |
167 | MRS | 0.45625 | 0.755319 |
168 | 00A | 0.456 | 0.864198 |
169 | 4TC | 0.455882 | 0.924051 |
170 | 01A | 0.455696 | 0.757895 |
171 | QA7 | 0.455285 | 0.851852 |
172 | YNC | 0.453416 | 0.782609 |
173 | 1CV | 0.45283 | 0.771739 |
174 | WCA | 0.45283 | 0.793478 |
175 | F8G | 0.451807 | 0.797872 |
176 | OOB | 0.451613 | 0.909091 |
177 | 6YZ | 0.45082 | 0.897436 |
178 | 8LH | 0.45082 | 0.8625 |
179 | 8Z2 | 0.450617 | 0.765957 |
180 | AMP | 0.45045 | 0.894737 |
181 | A | 0.45045 | 0.894737 |
182 | ODP | 0.45 | 0.936709 |
183 | WAQ | 0.448819 | 0.841463 |
184 | LAD | 0.448819 | 0.821429 |
185 | OMR | 0.448529 | 0.813953 |
186 | AMO | 0.448 | 0.886076 |
187 | PAJ | 0.448 | 0.843373 |
188 | NDP DTT | 0.447368 | 0.891566 |
189 | HFQ | 0.447205 | 0.774194 |
190 | UBG | 0.446541 | 0.847059 |
191 | 8LE | 0.446281 | 0.851852 |
192 | FA5 | 0.446154 | 0.886076 |
193 | 2AM | 0.445455 | 0.87013 |
194 | FYA | 0.445312 | 0.860759 |
195 | 1ZZ | 0.445312 | 0.802326 |
196 | YLP | 0.444444 | 0.784091 |
197 | DAK | 0.444444 | 0.784946 |
198 | JNT | 0.444444 | 0.873418 |
199 | DLL | 0.444444 | 0.909091 |
200 | 7D4 | 0.444444 | 0.8375 |
201 | CNA | 0.442857 | 0.910256 |
202 | ATF | 0.442623 | 0.886076 |
203 | DND | 0.441176 | 0.910256 |
204 | 3UK | 0.440945 | 0.897436 |
205 | 8QN | 0.44 | 0.884615 |
206 | UCA | 0.439306 | 0.774194 |
207 | TYM | 0.437956 | 0.886076 |
208 | B5V | 0.4375 | 0.886076 |
209 | PR8 | 0.4375 | 0.811765 |
210 | 01K | 0.437126 | 0.771739 |
211 | APC | 0.436975 | 0.886076 |
212 | NHQ | 0.436364 | 0.78022 |
213 | B5Y | 0.435115 | 0.875 |
214 | B5M | 0.435115 | 0.875 |
215 | KMQ | 0.435115 | 0.886076 |
216 | 7D3 | 0.434783 | 0.8375 |
217 | YLB | 0.434783 | 0.784091 |
218 | COT | 0.434524 | 0.791209 |
219 | NB8 | 0.434109 | 0.853659 |
220 | BIS | 0.434109 | 0.864198 |
221 | PTJ | 0.434109 | 0.853659 |
222 | ME8 | 0.434109 | 0.802326 |
223 | 48N | 0.433824 | 0.853659 |
224 | NAP | 0.432432 | 0.922078 |
225 | 38V | 0.432432 | 0.86747 |
226 | LQJ | 0.431818 | 0.871795 |
227 | 1HA | 0.431138 | 0.774194 |
228 | CA3 | 0.429412 | 0.791209 |
229 | OZV | 0.428571 | 0.896104 |
230 | 5SV | 0.428571 | 0.788235 |
231 | 9SN | 0.427481 | 0.853659 |
232 | LAQ | 0.426471 | 0.802326 |
233 | T99 | 0.42623 | 0.886076 |
234 | TAT | 0.42623 | 0.886076 |
235 | 45A | 0.426087 | 0.848101 |
236 | ABM | 0.426087 | 0.848101 |
237 | COA FLC | 0.425676 | 0.758242 |
238 | T5A | 0.425532 | 0.914634 |
239 | 139 | 0.425532 | 0.901235 |
240 | RMW | 0.425287 | 0.774194 |
241 | L3W | 0.42446 | 0.960526 |
242 | UPA | 0.42446 | 0.935897 |
243 | YLC | 0.42446 | 0.823529 |
244 | SON | 0.423729 | 0.886076 |
245 | 62F | 0.42236 | 0.823529 |
246 | 4UU | 0.422222 | 0.948052 |
247 | AHX | 0.421875 | 0.853659 |
248 | SRA | 0.421053 | 0.85 |
249 | AMP MG | 0.421053 | 0.857143 |
250 | 4UW | 0.42029 | 0.9125 |
251 | AU1 | 0.420168 | 0.897436 |
252 | F2R | 0.41958 | 0.825581 |
253 | A12 | 0.418803 | 0.886076 |
254 | AP2 | 0.418803 | 0.886076 |
255 | 9ZA | 0.417323 | 0.864198 |
256 | 9ZD | 0.417323 | 0.864198 |
257 | NA0 | 0.417219 | 0.910256 |
258 | 7L1 | 0.417219 | 0.763441 |
259 | CA5 | 0.417143 | 0.757895 |
260 | COD | 0.416667 | 0.777778 |
261 | OXT | 0.416216 | 0.742268 |
262 | YLA | 0.415493 | 0.804598 |
263 | GAP | 0.414634 | 0.85 |
264 | DTP | 0.414634 | 0.8375 |
265 | BT5 | 0.413793 | 0.795455 |
266 | AYB | 0.412587 | 0.775281 |
267 | TXA | 0.412214 | 0.886076 |
268 | AFH | 0.411765 | 0.843373 |
269 | ADP BEF | 0.411765 | 0.87013 |
270 | ADP MG | 0.411765 | 0.87013 |
271 | V2G | 0.41129 | 0.853659 |
272 | 7D5 | 0.410714 | 0.8125 |
273 | TAP | 0.410596 | 0.864198 |
274 | ATP MG | 0.409836 | 0.87013 |
275 | ADP PO3 | 0.409836 | 0.87013 |
276 | DAL AMP | 0.409449 | 0.860759 |
277 | AV2 | 0.408 | 0.848101 |
278 | ANP MG | 0.408 | 0.860759 |
279 | ADP BMA | 0.407692 | 0.873418 |
280 | 4UV | 0.407407 | 0.948052 |
281 | NAD | 0.406897 | 0.909091 |
282 | 93P | 0.40678 | 0.782609 |
283 | BEF ADP | 0.406504 | 0.848101 |
284 | BSJ | 0.405405 | 0.765957 |
285 | CO7 | 0.405063 | 0.791209 |
286 | BUA COA | 0.405063 | 0.741935 |
287 | DAT | 0.404959 | 0.8375 |
288 | G3A | 0.404412 | 0.9 |
289 | DZD | 0.40411 | 0.865854 |
290 | 93M | 0.403315 | 0.782609 |
291 | 3AT | 0.403226 | 0.896104 |
292 | YLY | 0.402685 | 0.775281 |
293 | G5P | 0.40146 | 0.9 |
294 | A4P | 0.401408 | 0.892857 |
295 | XAH | 0.4 | 0.802326 |
296 | D4F | 0.4 | 0.823529 |
297 | NAE | 0.4 | 0.875 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 6aix.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |