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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 | LEU LMS | 1 | 1 |
2 | LSS | 0.616162 | 0.920455 |
3 | LMS | 0.609195 | 0.840909 |
4 | 5AS | 0.604396 | 0.815217 |
5 | A5A | 0.597938 | 0.863636 |
6 | NVA LMS | 0.594059 | 0.888889 |
7 | VMS | 0.585859 | 0.886364 |
8 | 54H | 0.585859 | 0.886364 |
9 | NSS | 0.584158 | 0.876405 |
10 | G5A | 0.583333 | 0.855556 |
11 | TSB | 0.58 | 0.853933 |
12 | DAL AMP | 0.58 | 0.802326 |
13 | ABM | 0.571429 | 0.75 |
14 | 45A | 0.571429 | 0.75 |
15 | 52H | 0.57 | 0.876405 |
16 | 53H | 0.564356 | 0.876405 |
17 | 5CA | 0.564356 | 0.855556 |
18 | SSA | 0.56 | 0.855556 |
19 | 5AL | 0.555556 | 0.781609 |
20 | AMP MG | 0.549451 | 0.776471 |
21 | QA7 | 0.54902 | 0.816092 |
22 | 8LH | 0.544554 | 0.784091 |
23 | A | 0.538462 | 0.747126 |
24 | DSZ | 0.538462 | 0.876405 |
25 | AMP | 0.538462 | 0.747126 |
26 | 4AD | 0.538462 | 0.795455 |
27 | KAA | 0.537736 | 0.827957 |
28 | A2D | 0.537634 | 0.730337 |
29 | 8X1 | 0.533981 | 0.827957 |
30 | 8LQ | 0.533981 | 0.804598 |
31 | SRA | 0.532609 | 0.752809 |
32 | SON | 0.53125 | 0.764045 |
33 | GAP | 0.53 | 0.772727 |
34 | 9ZD | 0.528846 | 0.786517 |
35 | 8QN | 0.528846 | 0.781609 |
36 | 9ZA | 0.528846 | 0.786517 |
37 | BA3 | 0.526316 | 0.730337 |
38 | CA0 | 0.525773 | 0.752809 |
39 | M33 | 0.525773 | 0.741573 |
40 | ATP MG | 0.525253 | 0.767442 |
41 | ADP PO3 | 0.525253 | 0.767442 |
42 | PAJ | 0.52381 | 0.788889 |
43 | GSU | 0.523364 | 0.876405 |
44 | B4P | 0.520833 | 0.730337 |
45 | ADP | 0.520833 | 0.730337 |
46 | AP5 | 0.520833 | 0.730337 |
47 | KG4 | 0.520408 | 0.752809 |
48 | 50T | 0.520408 | 0.722222 |
49 | TXA | 0.518519 | 0.764045 |
50 | ADP MG | 0.515464 | 0.767442 |
51 | ADP BEF | 0.515464 | 0.767442 |
52 | AT4 | 0.515464 | 0.744444 |
53 | PRX | 0.515152 | 0.752809 |
54 | SRP | 0.514563 | 0.784091 |
55 | YSA | 0.513514 | 0.855556 |
56 | AOC | 0.510638 | 0.689655 |
57 | A12 | 0.510417 | 0.725275 |
58 | AP2 | 0.510417 | 0.725275 |
59 | ADX | 0.510204 | 0.8 |
60 | AD9 | 0.51 | 0.714286 |
61 | V2G | 0.509804 | 0.758242 |
62 | 8LE | 0.509804 | 0.795455 |
63 | P5A | 0.509259 | 0.819149 |
64 | RAB | 0.505882 | 0.686047 |
65 | ADN | 0.505882 | 0.686047 |
66 | XYA | 0.505882 | 0.686047 |
67 | A4D | 0.505747 | 0.686047 |
68 | 5CD | 0.505747 | 0.674419 |
69 | H1Q | 0.50505 | 0.758621 |
70 | HEJ | 0.50505 | 0.730337 |
71 | ATP | 0.50505 | 0.730337 |
72 | BEF ADP | 0.504951 | 0.75 |
73 | VO4 ADP | 0.504854 | 0.733333 |
74 | PTJ | 0.504587 | 0.797753 |
75 | 8PZ | 0.504505 | 0.855556 |
76 | AQP | 0.5 | 0.730337 |
77 | APR | 0.5 | 0.75 |
78 | AR6 | 0.5 | 0.75 |
79 | ARG AMP | 0.5 | 0.763441 |
80 | MYR AMP | 0.5 | 0.752688 |
81 | AN2 | 0.5 | 0.741573 |
82 | 5FA | 0.5 | 0.730337 |
83 | B1U | 0.5 | 0.810526 |
84 | 3DH | 0.5 | 0.689655 |
85 | LAD | 0.495413 | 0.75 |
86 | AMO | 0.495327 | 0.784091 |
87 | AGS | 0.49505 | 0.736264 |
88 | APC MG | 0.49505 | 0.75 |
89 | AU1 | 0.494949 | 0.733333 |
90 | 5N5 | 0.494253 | 0.666667 |
91 | ME8 | 0.490909 | 0.791209 |
92 | 9K8 | 0.490909 | 0.734694 |
93 | 1ZZ | 0.490909 | 0.734043 |
94 | ALF ADP | 0.490385 | 0.717391 |
95 | ANP MG | 0.490385 | 0.761364 |
96 | ACP | 0.49 | 0.733333 |
97 | EP4 | 0.488889 | 0.712644 |
98 | OAD | 0.486239 | 0.772727 |
99 | 5SV | 0.485981 | 0.72043 |
100 | OOB | 0.485981 | 0.761364 |
101 | T99 | 0.485437 | 0.744444 |
102 | TAT | 0.485437 | 0.744444 |
103 | APC | 0.485149 | 0.725275 |
104 | M2T | 0.483516 | 0.755814 |
105 | DTA | 0.483516 | 0.701149 |
106 | WAQ | 0.481818 | 0.747253 |
107 | ADV | 0.480392 | 0.744444 |
108 | RBY | 0.480392 | 0.744444 |
109 | WSA | 0.478992 | 0.865169 |
110 | MTA | 0.478261 | 0.709302 |
111 | FA5 | 0.477876 | 0.784091 |
112 | 3OD | 0.477477 | 0.772727 |
113 | NB8 | 0.477477 | 0.777778 |
114 | 00A | 0.477064 | 0.728261 |
115 | AHX | 0.477064 | 0.758242 |
116 | 5X8 | 0.475248 | 0.741176 |
117 | AP0 | 0.475 | 0.702128 |
118 | YLP | 0.474576 | 0.736842 |
119 | 48N | 0.474576 | 0.777778 |
120 | 3UK | 0.472727 | 0.752809 |
121 | 9X8 | 0.472727 | 0.755556 |
122 | ADP BMA | 0.472727 | 0.752809 |
123 | GEK | 0.472222 | 0.738636 |
124 | SMM | 0.471698 | 0.766667 |
125 | ACQ | 0.471154 | 0.733333 |
126 | SAM | 0.471154 | 0.752809 |
127 | ANP | 0.471154 | 0.733333 |
128 | NAI | 0.470588 | 0.709677 |
129 | 4YB | 0.470085 | 0.857143 |
130 | A1R | 0.46789 | 0.728261 |
131 | HQG | 0.46729 | 0.741573 |
132 | 649 | 0.466667 | 0.819149 |
133 | OMR | 0.466667 | 0.726316 |
134 | EEM | 0.466667 | 0.714286 |
135 | SA8 | 0.466019 | 0.711111 |
136 | B5M | 0.464912 | 0.755556 |
137 | MAO | 0.464646 | 0.72043 |
138 | NEC | 0.463918 | 0.647727 |
139 | JNT | 0.463636 | 0.733333 |
140 | DLL | 0.463636 | 0.761364 |
141 | A22 | 0.462963 | 0.722222 |
142 | 8Q2 | 0.46281 | 0.827957 |
143 | YLB | 0.46281 | 0.755319 |
144 | ATF | 0.462264 | 0.706522 |
145 | XAH | 0.46087 | 0.734043 |
146 | SFG | 0.460784 | 0.709302 |
147 | 6YZ | 0.457944 | 0.733333 |
148 | S7M | 0.457944 | 0.733333 |
149 | DQV | 0.457627 | 0.741573 |
150 | NWW | 0.455556 | 0.635294 |
151 | PR8 | 0.455357 | 0.741935 |
152 | B5V | 0.455357 | 0.744444 |
153 | ADQ | 0.454545 | 0.733333 |
154 | AF3 ADP 3PG | 0.454545 | 0.75 |
155 | A3R | 0.454545 | 0.728261 |
156 | S4M | 0.454545 | 0.691489 |
157 | TXE | 0.454545 | 0.709677 |
158 | ALF ADP 3PG | 0.454545 | 0.75 |
159 | AHZ | 0.453782 | 0.752688 |
160 | 6RE | 0.453608 | 0.7 |
161 | ATP A A A | 0.452174 | 0.758621 |
162 | B5Y | 0.452174 | 0.755556 |
163 | ATP A | 0.452174 | 0.758621 |
164 | FYA | 0.451327 | 0.761364 |
165 | JB6 | 0.451327 | 0.747253 |
166 | MHZ | 0.45098 | 0.666667 |
167 | YLC | 0.45082 | 0.752688 |
168 | NAD IBO | 0.45082 | 0.770115 |
169 | NAD TDB | 0.45082 | 0.770115 |
170 | L3W | 0.45082 | 0.725275 |
171 | MAP | 0.449541 | 0.717391 |
172 | A3G | 0.44898 | 0.712644 |
173 | AYB | 0.448 | 0.747368 |
174 | SAH | 0.447619 | 0.724138 |
175 | SAI | 0.447619 | 0.696629 |
176 | A3T | 0.446602 | 0.709302 |
177 | QXP | 0.445455 | 0.744681 |
178 | OZV | 0.445455 | 0.730337 |
179 | 25A | 0.445455 | 0.730337 |
180 | 80F | 0.445312 | 0.736842 |
181 | A3N | 0.444444 | 0.644444 |
182 | J7C | 0.444444 | 0.688889 |
183 | F2R | 0.444444 | 0.736842 |
184 | 9SN | 0.443478 | 0.72043 |
185 | ZAS | 0.443299 | 0.724138 |
186 | TYM | 0.442623 | 0.784091 |
187 | NAJ PZO | 0.44186 | 0.73913 |
188 | 0UM | 0.441441 | 0.703297 |
189 | A7D | 0.441176 | 0.693182 |
190 | COD | 0.440945 | 0.768421 |
191 | GJV | 0.44 | 0.692308 |
192 | KMQ | 0.439655 | 0.744444 |
193 | NAQ | 0.439394 | 0.758242 |
194 | SXZ | 0.438596 | 0.752809 |
195 | BIS | 0.438596 | 0.691489 |
196 | LPA AMP | 0.438017 | 0.752688 |
197 | 7MD | 0.436975 | 0.752688 |
198 | GA7 | 0.436975 | 0.764045 |
199 | 25L | 0.434783 | 0.722222 |
200 | 4UW | 0.434426 | 0.731183 |
201 | TXD | 0.434426 | 0.709677 |
202 | DND | 0.434426 | 0.764045 |
203 | DSH | 0.434343 | 0.67033 |
204 | K15 | 0.433628 | 0.688172 |
205 | QXG | 0.433628 | 0.736842 |
206 | TAD | 0.433333 | 0.731183 |
207 | AMP DBH | 0.432203 | 0.752809 |
208 | 4UV | 0.432203 | 0.736264 |
209 | 5AD | 0.431818 | 0.642857 |
210 | SLU | 0.430769 | 0.806452 |
211 | R2V | 0.429825 | 0.744681 |
212 | LAQ | 0.429752 | 0.734043 |
213 | 7C5 | 0.428571 | 0.711111 |
214 | YLA | 0.428571 | 0.71875 |
215 | NAJ PYZ | 0.428571 | 0.708333 |
216 | 7MC | 0.427419 | 0.755319 |
217 | A3S | 0.427184 | 0.72093 |
218 | CNA | 0.425197 | 0.764045 |
219 | 4UU | 0.425 | 0.736264 |
220 | AR6 AR6 | 0.425 | 0.770115 |
221 | AFH | 0.425 | 0.712766 |
222 | 62X | 0.424779 | 0.709677 |
223 | NVA 2AD | 0.424528 | 0.738636 |
224 | 6V0 | 0.422764 | 0.702128 |
225 | NAX | 0.422764 | 0.723404 |
226 | UP5 | 0.422764 | 0.717391 |
227 | NWQ | 0.42268 | 0.639535 |
228 | GTA | 0.421488 | 0.734043 |
229 | IOT | 0.420635 | 0.729167 |
230 | AMP NAD | 0.418605 | 0.781609 |
231 | 4TA | 0.418605 | 0.744681 |
232 | NAD | 0.418605 | 0.761364 |
233 | 3AM | 0.418367 | 0.715909 |
234 | V47 | 0.418182 | 0.678161 |
235 | 139 | 0.417323 | 0.705263 |
236 | G3A | 0.416667 | 0.72043 |
237 | K3K | 0.415254 | 0.659341 |
238 | N0B | 0.414815 | 0.71875 |
239 | KOY | 0.414634 | 0.696629 |
240 | YLY | 0.413534 | 0.747368 |
241 | G5P | 0.413223 | 0.72043 |
242 | Y3J | 0.413043 | 0.609195 |
243 | A3D | 0.412214 | 0.772727 |
244 | EO7 | 0.411765 | 0.804348 |
245 | HY8 | 0.41129 | 0.677419 |
246 | A5D | 0.411215 | 0.701149 |
247 | KY2 | 0.410714 | 0.659574 |
248 | NAE | 0.410448 | 0.775281 |
249 | KH3 | 0.409836 | 0.680851 |
250 | KXW | 0.409836 | 0.673913 |
251 | EAD | 0.408759 | 0.723404 |
252 | A6D | 0.408696 | 0.706522 |
253 | K3E | 0.408333 | 0.652174 |
254 | A3P | 0.407767 | 0.727273 |
255 | SO8 | 0.407407 | 0.724138 |
256 | T5A | 0.40625 | 0.71875 |
257 | ADJ | 0.40625 | 0.690722 |
258 | N5O | 0.405941 | 0.681818 |
259 | 2VA | 0.40566 | 0.732558 |
260 | 3NZ | 0.405172 | 0.719101 |
261 | UPA | 0.404762 | 0.709677 |
262 | 4TC | 0.404762 | 0.72043 |
263 | DZD | 0.40458 | 0.712766 |
264 | 6IA | 0.40367 | 0.769231 |
265 | A4P | 0.401575 | 0.686869 |
266 | Z5A | 0.40146 | 0.739583 |
267 | KYE | 0.4 | 0.680851 |
268 | AAT | 0.4 | 0.655914 |
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 |