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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 6 families. | |||||
1 | 6YKW | Ki = 1260.73 nM | OVZ | C25 H40 N6 O7 S | CC(C)C[C@@.... |
2 | 6YKS | Ki = 108.35 nM | OVT | C25 H39 N5 O7 S | CC(C)C[C@@.... |
3 | 6Q8B | - | L3U | C16 H26 N4 O9 S | CC(C)C[C@@.... |
4 | 6YKT | Ki = 387.66 nM | OVN | C21 H39 N5 O8 S | CC(C)C[C@@.... |
5 | 6YKU | Ki = 17.83 nM | OVB | C24 H34 F3 N5 O8 S | CC(C)C[C@@.... |
6 | 6YKV | Ki = 31.62 nM | OVQ | C22 H34 N6 O7 S | CC(C)C[C@@.... |
7 | 7AP2 | - | RRW | C19 H29 N5 O8 S | CC(C)C[C@@.... |
8 | 6YKO | Ki = 5.51 nM | OW5 | C28 H45 N5 O7 S | CCCCCc1ccc.... |
9 | 6YKX | Ki = 182.35 nM | OW2 | C26 H41 N7 O8 S | CC(C)C[C@@.... |
10 | 6Q8A | - | HQ5 | C15 H25 N5 O8 S | CC(C)C[C@@.... |
11 | 6Q8C | - | LSU | C15 H24 N4 O9 S | CC(C)C[C@@.... |
12 | 6YKK | Ki = 30.94 nM | OVK | C20 H30 N6 O7 S | CC(C)C[C@@.... |
13 | 7A0P | Ki = 31.28 nM | QTW | C25 H38 N6 O8 S | CC(C)C[C@@.... |
14 | 6Q89 | - | LSS | C16 H25 N7 O7 S | CC(C)C[C@@.... |
15 | 6YKQ | Ki = 52.36 nM | OVW | C25 H47 N5 O7 S | CCCCCCCCc1.... |
16 | 6YKL | Ki = 2.48 nM | OVH | C23 H35 N5 O7 S | CC(C)C[C@@.... |
17 | 1OBC | - | NVA 2AD | n/a | n/a |
18 | 1H3N | - | LEU LMS | n/a | n/a |
19 | 2V0C | - | LEU LMS | n/a | n/a |
20 | 1OBH | - | NVA LMS | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NVA LMS | 1 | 1 |
2 | NSS | 0.806818 | 0.942529 |
3 | A5A | 0.770115 | 0.930233 |
4 | 54H | 0.752809 | 0.909091 |
5 | 52H | 0.752809 | 0.898876 |
6 | VMS | 0.752809 | 0.909091 |
7 | 53H | 0.744444 | 0.898876 |
8 | TSB | 0.744444 | 0.91954 |
9 | SSA | 0.741573 | 0.920455 |
10 | LSS | 0.728261 | 0.943182 |
11 | 5CA | 0.725275 | 0.920455 |
12 | G5A | 0.715909 | 0.920455 |
13 | DSZ | 0.709677 | 0.920455 |
14 | KAA | 0.705263 | 0.911111 |
15 | GSU | 0.705263 | 0.942529 |
16 | 5AS | 0.686047 | 0.898876 |
17 | YSA | 0.653465 | 0.920455 |
18 | 8X1 | 0.652632 | 0.911111 |
19 | P5A | 0.62 | 0.901099 |
20 | LMS | 0.616279 | 0.906977 |
21 | 8PZ | 0.61165 | 0.920455 |
22 | B1U | 0.605769 | 0.851064 |
23 | WSA | 0.605505 | 0.931035 |
24 | 4YB | 0.598131 | 0.921348 |
25 | LEU LMS | 0.594059 | 0.888889 |
26 | 8Q2 | 0.557522 | 0.89011 |
27 | 3DH | 0.556818 | 0.693182 |
28 | SON | 0.553191 | 0.766667 |
29 | 649 | 0.548673 | 0.901099 |
30 | NVA 2AD | 0.546392 | 0.761364 |
31 | 5AL | 0.545455 | 0.784091 |
32 | AMP | 0.544444 | 0.75 |
33 | A | 0.544444 | 0.75 |
34 | 45A | 0.543478 | 0.752809 |
35 | A2D | 0.543478 | 0.752809 |
36 | ABM | 0.543478 | 0.752809 |
37 | DAL AMP | 0.539216 | 0.784091 |
38 | QA7 | 0.539216 | 0.777778 |
39 | AMP MG | 0.538462 | 0.758621 |
40 | PRX | 0.536082 | 0.795455 |
41 | BA3 | 0.531915 | 0.752809 |
42 | ADX | 0.53125 | 0.863636 |
43 | CA0 | 0.53125 | 0.755556 |
44 | V2G | 0.53 | 0.76087 |
45 | 4AD | 0.528846 | 0.797753 |
46 | AP5 | 0.526316 | 0.752809 |
47 | B4P | 0.526316 | 0.752809 |
48 | KG4 | 0.525773 | 0.755556 |
49 | 5X8 | 0.525773 | 0.704545 |
50 | AHX | 0.52381 | 0.78022 |
51 | SRA | 0.521739 | 0.775281 |
52 | GAP | 0.52 | 0.755556 |
53 | 8LH | 0.519608 | 0.786517 |
54 | 9ZA | 0.519231 | 0.769231 |
55 | 9ZD | 0.519231 | 0.769231 |
56 | AOC | 0.516129 | 0.674157 |
57 | A12 | 0.515789 | 0.747253 |
58 | AP2 | 0.515789 | 0.747253 |
59 | AU1 | 0.515464 | 0.755556 |
60 | M33 | 0.515464 | 0.764045 |
61 | 8LE | 0.514852 | 0.758242 |
62 | ADN | 0.511905 | 0.670455 |
63 | XYA | 0.511905 | 0.670455 |
64 | RAB | 0.511905 | 0.670455 |
65 | 5CD | 0.511628 | 0.659091 |
66 | ADP | 0.510417 | 0.752809 |
67 | ATP | 0.510204 | 0.752809 |
68 | HEJ | 0.510204 | 0.752809 |
69 | 50T | 0.510204 | 0.725275 |
70 | 8LQ | 0.509615 | 0.806818 |
71 | 9K8 | 0.509259 | 0.773196 |
72 | TXA | 0.509259 | 0.766667 |
73 | DTA | 0.505618 | 0.685393 |
74 | ADP MG | 0.505155 | 0.770115 |
75 | AT4 | 0.505155 | 0.766667 |
76 | ADP BEF | 0.505155 | 0.770115 |
77 | AN2 | 0.505155 | 0.764045 |
78 | 5FA | 0.50505 | 0.752809 |
79 | APR | 0.50505 | 0.752809 |
80 | AQP | 0.50505 | 0.752809 |
81 | AR6 | 0.50505 | 0.752809 |
82 | SRP | 0.504854 | 0.786517 |
83 | 5SV | 0.504762 | 0.76087 |
84 | QXP | 0.504762 | 0.804348 |
85 | 8QN | 0.504762 | 0.784091 |
86 | XAH | 0.504505 | 0.774194 |
87 | ARG AMP | 0.504425 | 0.747368 |
88 | SLU | 0.504065 | 0.868132 |
89 | 5N5 | 0.5 | 0.651685 |
90 | MTA | 0.5 | 0.693182 |
91 | AGS | 0.5 | 0.777778 |
92 | SA8 | 0.5 | 0.695652 |
93 | PAJ | 0.5 | 0.752688 |
94 | AD9 | 0.5 | 0.736264 |
95 | NB8 | 0.495413 | 0.78022 |
96 | ME8 | 0.495413 | 0.813187 |
97 | 1ZZ | 0.495413 | 0.774194 |
98 | ANP MG | 0.495146 | 0.784091 |
99 | SAH | 0.49505 | 0.707865 |
100 | ACP | 0.494949 | 0.755556 |
101 | J7C | 0.494737 | 0.673913 |
102 | EP4 | 0.494382 | 0.659341 |
103 | A4D | 0.494253 | 0.670455 |
104 | 48N | 0.491379 | 0.76087 |
105 | MYR AMP | 0.490909 | 0.774194 |
106 | OAD | 0.490741 | 0.775281 |
107 | 3UK | 0.490741 | 0.755556 |
108 | QXG | 0.490741 | 0.795699 |
109 | S7M | 0.490385 | 0.736264 |
110 | ANP | 0.490196 | 0.755556 |
111 | APC | 0.49 | 0.747253 |
112 | M2T | 0.488889 | 0.7 |
113 | 9SN | 0.486486 | 0.723404 |
114 | LAD | 0.486239 | 0.771739 |
115 | 0UM | 0.485981 | 0.706522 |
116 | AMO | 0.485981 | 0.786517 |
117 | ATP MG | 0.485149 | 0.770115 |
118 | ADP PO3 | 0.485149 | 0.770115 |
119 | ADV | 0.485149 | 0.747253 |
120 | APC MG | 0.485149 | 0.752809 |
121 | RBY | 0.485149 | 0.747253 |
122 | NEC | 0.484211 | 0.651685 |
123 | PTJ | 0.481818 | 0.76087 |
124 | 3OD | 0.481818 | 0.775281 |
125 | DLL | 0.481481 | 0.764045 |
126 | JNT | 0.481481 | 0.755556 |
127 | A22 | 0.481132 | 0.744444 |
128 | SAI | 0.480392 | 0.681319 |
129 | VRT | 0.480392 | 0.75 |
130 | BEF ADP | 0.480392 | 0.752809 |
131 | H1Q | 0.48 | 0.761364 |
132 | SFG | 0.48 | 0.693182 |
133 | YLB | 0.478992 | 0.795699 |
134 | YLP | 0.478632 | 0.776596 |
135 | 9X8 | 0.477064 | 0.777778 |
136 | K15 | 0.477064 | 0.691489 |
137 | GEK | 0.476636 | 0.741573 |
138 | OOB | 0.476636 | 0.764045 |
139 | SMM | 0.47619 | 0.731183 |
140 | ACQ | 0.475728 | 0.755556 |
141 | TAT | 0.475728 | 0.766667 |
142 | SAM | 0.475728 | 0.736264 |
143 | T99 | 0.475728 | 0.766667 |
144 | A7D | 0.474747 | 0.696629 |
145 | 6RE | 0.473684 | 0.684783 |
146 | R2V | 0.472727 | 0.804348 |
147 | WAQ | 0.472727 | 0.769231 |
148 | B5V | 0.472727 | 0.747253 |
149 | PR8 | 0.472727 | 0.763441 |
150 | ADQ | 0.472222 | 0.736264 |
151 | HQG | 0.471698 | 0.744444 |
152 | EEM | 0.471154 | 0.698925 |
153 | OMR | 0.470588 | 0.765957 |
154 | B5M | 0.469027 | 0.758242 |
155 | DSH | 0.46875 | 0.673913 |
156 | SXZ | 0.468468 | 0.717391 |
157 | 00A | 0.46789 | 0.731183 |
158 | MAP | 0.46729 | 0.73913 |
159 | ALF ADP | 0.466667 | 0.72043 |
160 | VO4 ADP | 0.466667 | 0.755556 |
161 | ATF | 0.466667 | 0.728261 |
162 | 7MD | 0.465517 | 0.774194 |
163 | A3N | 0.463918 | 0.630435 |
164 | AYB | 0.463415 | 0.787234 |
165 | 25A | 0.462963 | 0.752809 |
166 | 6YZ | 0.462264 | 0.755556 |
167 | NAX | 0.462185 | 0.763441 |
168 | AMP DBH | 0.46087 | 0.717391 |
169 | NWW | 0.460674 | 0.62069 |
170 | F2R | 0.459677 | 0.739583 |
171 | S4M | 0.459184 | 0.694737 |
172 | GJV | 0.459184 | 0.677419 |
173 | A3R | 0.458716 | 0.75 |
174 | RUZ | 0.458716 | 0.897727 |
175 | A1R | 0.458716 | 0.75 |
176 | TXE | 0.458333 | 0.731183 |
177 | 7C5 | 0.456897 | 0.677419 |
178 | B5Y | 0.45614 | 0.758242 |
179 | KMQ | 0.45614 | 0.747253 |
180 | FA5 | 0.45614 | 0.786517 |
181 | BIS | 0.455357 | 0.731183 |
182 | FYA | 0.455357 | 0.764045 |
183 | JB6 | 0.455357 | 0.788889 |
184 | YLC | 0.454545 | 0.774194 |
185 | 7MC | 0.454545 | 0.776596 |
186 | MAO | 0.454545 | 0.741935 |
187 | 25L | 0.451327 | 0.744444 |
188 | RRW | 0.451327 | 0.910112 |
189 | A3T | 0.45098 | 0.693182 |
190 | ADP BMA | 0.45045 | 0.736264 |
191 | OZV | 0.449541 | 0.752809 |
192 | GTA | 0.449153 | 0.736842 |
193 | DQV | 0.449153 | 0.764045 |
194 | ZAS | 0.447917 | 0.688889 |
195 | IOT | 0.447154 | 0.731959 |
196 | ALF ADP 3PG | 0.446281 | 0.734043 |
197 | A3S | 0.445545 | 0.704545 |
198 | COD | 0.444444 | 0.770833 |
199 | NWQ | 0.442105 | 0.625 |
200 | KOY | 0.441667 | 0.7 |
201 | 62X | 0.441441 | 0.659794 |
202 | MHZ | 0.441176 | 0.6875 |
203 | KY2 | 0.440367 | 0.645833 |
204 | A3G | 0.438776 | 0.696629 |
205 | RSN | 0.438596 | 0.88764 |
206 | SO8 | 0.438095 | 0.707865 |
207 | 6V0 | 0.438017 | 0.723404 |
208 | DND | 0.438017 | 0.766667 |
209 | NAI | 0.438017 | 0.731183 |
210 | TXD | 0.438017 | 0.731183 |
211 | TAD | 0.436975 | 0.752688 |
212 | KH3 | 0.436975 | 0.684211 |
213 | 2VA | 0.436893 | 0.677778 |
214 | 5AD | 0.436782 | 0.627907 |
215 | 4UV | 0.435897 | 0.73913 |
216 | V47 | 0.435185 | 0.681818 |
217 | TYM | 0.434426 | 0.786517 |
218 | AF3 ADP 3PG | 0.434426 | 0.734043 |
219 | J4G | 0.433628 | 0.797753 |
220 | AHZ | 0.433333 | 0.755319 |
221 | LAQ | 0.433333 | 0.755319 |
222 | YLA | 0.432 | 0.739583 |
223 | L3W | 0.430894 | 0.747253 |
224 | AP0 | 0.430894 | 0.723404 |
225 | EO7 | 0.43 | 0.866667 |
226 | U4Y | 0.429752 | 0.703297 |
227 | LPA AMP | 0.429752 | 0.755319 |
228 | AFH | 0.428571 | 0.715789 |
229 | 4UU | 0.428571 | 0.73913 |
230 | GA7 | 0.428571 | 0.766667 |
231 | CNA | 0.428571 | 0.786517 |
232 | A5D | 0.428571 | 0.685393 |
233 | KYE | 0.42735 | 0.649485 |
234 | 80F | 0.426357 | 0.739583 |
235 | 4UW | 0.42623 | 0.734043 |
236 | UP5 | 0.42623 | 0.73913 |
237 | KXW | 0.425 | 0.659574 |
238 | N5O | 0.424242 | 0.685393 |
239 | S8M | 0.423423 | 0.722222 |
240 | 3AM | 0.42268 | 0.719101 |
241 | K2K | 0.421053 | 0.648936 |
242 | G3A | 0.420168 | 0.723404 |
243 | KYB | 0.419643 | 0.645833 |
244 | NAD IBO | 0.419355 | 0.772727 |
245 | NAD TDB | 0.419355 | 0.772727 |
246 | ATP A | 0.418803 | 0.761364 |
247 | K3K | 0.418803 | 0.645161 |
248 | ATP A A A | 0.418803 | 0.761364 |
249 | N0B | 0.41791 | 0.739583 |
250 | YLY | 0.416667 | 0.768421 |
251 | G5P | 0.416667 | 0.723404 |
252 | AAT | 0.416667 | 0.659574 |
253 | AR6 AR6 | 0.416667 | 0.752809 |
254 | A4P | 0.416 | 0.69 |
255 | N5A | 0.415842 | 0.662921 |
256 | 6MZ | 0.415842 | 0.741573 |
257 | A3D | 0.415385 | 0.795455 |
258 | HY8 | 0.414634 | 0.663158 |
259 | KB1 | 0.413793 | 0.652632 |
260 | RRB | 0.413223 | 0.88764 |
261 | A6D | 0.412281 | 0.673684 |
262 | NAJ PZO | 0.412214 | 0.741935 |
263 | A2P | 0.411765 | 0.738636 |
264 | K3E | 0.411765 | 0.638298 |
265 | A3P | 0.411765 | 0.75 |
266 | NAQ | 0.410448 | 0.78022 |
267 | HZ2 | 0.409836 | 0.663158 |
268 | 139 | 0.409449 | 0.726316 |
269 | T5A | 0.409449 | 0.739583 |
270 | 3NZ | 0.408696 | 0.703297 |
271 | 4TC | 0.408 | 0.741935 |
272 | UPA | 0.408 | 0.731183 |
273 | 6IA | 0.407407 | 0.752688 |
274 | FB0 | 0.404255 | 0.73 |
275 | PPS | 0.40367 | 0.842697 |
276 | EU9 | 0.403226 | 0.71134 |
277 | 7D5 | 0.402062 | 0.684783 |
278 | D3Y | 0.401786 | 0.688889 |
279 | KY5 | 0.401709 | 0.655914 |
280 | 4TA | 0.4 | 0.747368 |
281 | 7D7 | 0.4 | 0.611111 |
282 | AMP NAD | 0.4 | 0.764045 |
283 | NAD | 0.4 | 0.784091 |
284 | NAJ PYZ | 0.4 | 0.71134 |
This union binding pocket(no: 1) in the query (biounit: 2v0c.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2v0c.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |