- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
-
|
- Download
- 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 235 families. | |||||
1 | 6N3V | Kd = 2.45 uM | KB7 | C13 H18 N6 O6 | CCNC(=O)OC.... |
2 | 5IPC | Kd = 13 uM | 6CE | C20 H24 N7 O6 P S | c1ccc2c(c1.... |
3 | 4EQG | - | A5A | C13 H19 N7 O7 S | C[C@@H](C(.... |
4 | 6N3W | Kd = 1.56 uM | KBJ | C19 H22 N6 O6 | c1ccc(cc1).... |
5 | 5I2E | Kd = 0.23 uM | 67D | C23 H23 N7 O7 S | c1ccc2c(c1.... |
6 | 3O1C | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
7 | 6N3X | Kd = 8.09 uM | KBD | C18 H20 N6 O6 | c1ccc(cc1).... |
8 | 5IPE | - | 6CG | C10 H14 N5 O7 P S | c1nc2c(n1[.... |
9 | 4RHN | - | RIB | C5 H10 O5 | C([C@@H]1[.... |
10 | 3O1X | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
11 | 4ZKL | - | JB6 | C24 H34 N10 O13 P2 S2 | c1nc(c2c(n.... |
12 | 3QGZ | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
13 | 5I2F | - | BS5 | C20 H29 N9 O7 S2 | c1nc(c2c(n.... |
14 | 1KPF | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
15 | 5WA9 | Kd = 0.175 uM | 9ZD | C14 H21 N6 O8 P | C[C@H](C(=.... |
16 | 4EQH | - | WSA | C21 H24 N8 O7 S | c1ccc2c(c1.... |
17 | 1RZY | Ki = 1.25 uM | 5AS | C12 H18 N6 O6 S | CCNS(=O)(=.... |
18 | 4EQE | - | KAA | C16 H26 N8 O7 S | c1nc(c2c(n.... |
19 | 6N3Y | Kd = 3.65 uM | HHJ | C21 H23 N7 O6 | c1ccc2c(c1.... |
20 | 5WA8 | Kd = 0.587 uM | 9ZA | C14 H21 N6 O8 P | C[C@@H](C(.... |
21 | 6B42 | - | D5M | C10 H14 N5 O6 P | c1nc(c2c(n.... |
22 | 3RHN | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
23 | 5RHN | - | 8BR | C10 H13 Br N5 O7 P | c1nc(c2c(n.... |
24 | 4INI | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 193 families. | |||||
1 | 6N3V | Kd = 2.45 uM | KB7 | C13 H18 N6 O6 | CCNC(=O)OC.... |
2 | 5IPC | Kd = 13 uM | 6CE | C20 H24 N7 O6 P S | c1ccc2c(c1.... |
3 | 4EQG | - | A5A | C13 H19 N7 O7 S | C[C@@H](C(.... |
4 | 6N3W | Kd = 1.56 uM | KBJ | C19 H22 N6 O6 | c1ccc(cc1).... |
5 | 5I2E | Kd = 0.23 uM | 67D | C23 H23 N7 O7 S | c1ccc2c(c1.... |
6 | 3O1C | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
7 | 6N3X | Kd = 8.09 uM | KBD | C18 H20 N6 O6 | c1ccc(cc1).... |
8 | 5IPE | - | 6CG | C10 H14 N5 O7 P S | c1nc2c(n1[.... |
9 | 4RHN | - | RIB | C5 H10 O5 | C([C@@H]1[.... |
10 | 3O1X | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
11 | 4ZKL | - | JB6 | C24 H34 N10 O13 P2 S2 | c1nc(c2c(n.... |
12 | 3QGZ | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
13 | 5I2F | - | BS5 | C20 H29 N9 O7 S2 | c1nc(c2c(n.... |
14 | 1KPF | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
15 | 5WA9 | Kd = 0.175 uM | 9ZD | C14 H21 N6 O8 P | C[C@H](C(=.... |
16 | 4EQH | - | WSA | C21 H24 N8 O7 S | c1ccc2c(c1.... |
17 | 1RZY | Ki = 1.25 uM | 5AS | C12 H18 N6 O6 S | CCNS(=O)(=.... |
18 | 4EQE | - | KAA | C16 H26 N8 O7 S | c1nc(c2c(n.... |
19 | 6N3Y | Kd = 3.65 uM | HHJ | C21 H23 N7 O6 | c1ccc2c(c1.... |
20 | 5WA8 | Kd = 0.587 uM | 9ZA | C14 H21 N6 O8 P | C[C@@H](C(.... |
21 | 6B42 | - | D5M | C10 H14 N5 O6 P | c1nc(c2c(n.... |
22 | 3RHN | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
23 | 5RHN | - | 8BR | C10 H13 Br N5 O7 P | c1nc(c2c(n.... |
24 | 3N1T | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
25 | 3N1S | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
26 | 4INI | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AMP | 1 | 1 |
2 | A | 1 | 1 |
3 | 45A | 0.833333 | 0.943662 |
4 | ABM | 0.833333 | 0.943662 |
5 | A2D | 0.833333 | 0.943662 |
6 | ADP | 0.823529 | 0.971429 |
7 | AP2 | 0.808824 | 0.931507 |
8 | BA3 | 0.808824 | 0.943662 |
9 | A12 | 0.808824 | 0.931507 |
10 | SRA | 0.80303 | 0.944444 |
11 | AP5 | 0.797101 | 0.943662 |
12 | B4P | 0.797101 | 0.943662 |
13 | HEJ | 0.788732 | 0.971429 |
14 | ATP | 0.788732 | 0.971429 |
15 | AT4 | 0.785714 | 0.931507 |
16 | AN2 | 0.785714 | 0.957747 |
17 | APC | 0.777778 | 0.931507 |
18 | AQP | 0.777778 | 0.971429 |
19 | 5FA | 0.777778 | 0.971429 |
20 | AU1 | 0.774648 | 0.944444 |
21 | CA0 | 0.774648 | 0.917808 |
22 | M33 | 0.774648 | 0.930556 |
23 | ADX | 0.774648 | 0.848101 |
24 | 50T | 0.763889 | 0.957747 |
25 | KG4 | 0.763889 | 0.917808 |
26 | ACP | 0.763889 | 0.944444 |
27 | ADP MG | 0.760563 | 0.942857 |
28 | 25A | 0.75641 | 0.971429 |
29 | APR | 0.753425 | 0.943662 |
30 | AR6 | 0.753425 | 0.943662 |
31 | PRX | 0.753425 | 0.917808 |
32 | ACQ | 0.746667 | 0.944444 |
33 | TAT | 0.746667 | 0.931507 |
34 | T99 | 0.746667 | 0.931507 |
35 | ADV | 0.743243 | 0.905405 |
36 | SAP | 0.743243 | 0.918919 |
37 | AGS | 0.743243 | 0.918919 |
38 | AD9 | 0.743243 | 0.944444 |
39 | RBY | 0.743243 | 0.905405 |
40 | ANP | 0.723684 | 0.944444 |
41 | ATP MG | 0.72 | 0.942857 |
42 | APC MG | 0.72 | 0.916667 |
43 | ADP PO3 | 0.72 | 0.942857 |
44 | 6YZ | 0.717949 | 0.944444 |
45 | 8LE | 0.714286 | 0.893333 |
46 | 5AL | 0.714286 | 0.930556 |
47 | SON | 0.712329 | 0.931507 |
48 | LMS | 0.710145 | 0.825 |
49 | RAB | 0.709677 | 0.842857 |
50 | ADN | 0.709677 | 0.842857 |
51 | XYA | 0.709677 | 0.842857 |
52 | HQG | 0.708861 | 0.957747 |
53 | ATF | 0.705128 | 0.931507 |
54 | GAP | 0.701299 | 0.891892 |
55 | A22 | 0.7 | 0.957747 |
56 | SRP | 0.696203 | 0.905405 |
57 | 8LH | 0.696203 | 0.905405 |
58 | 7D5 | 0.691176 | 0.902778 |
59 | A3P | 0.684932 | 0.971014 |
60 | A2P | 0.684932 | 0.956522 |
61 | ALF ADP | 0.683544 | 0.868421 |
62 | ADP ALF | 0.683544 | 0.868421 |
63 | ADQ | 0.682927 | 0.917808 |
64 | 8LQ | 0.679012 | 0.905405 |
65 | MAP | 0.679012 | 0.918919 |
66 | VO4 ADP | 0.675 | 0.930556 |
67 | ADP VO4 | 0.675 | 0.930556 |
68 | 8QN | 0.670732 | 0.930556 |
69 | 5SV | 0.670732 | 0.87013 |
70 | OOB | 0.670732 | 0.930556 |
71 | 9ZD | 0.670732 | 0.906667 |
72 | 9ZA | 0.670732 | 0.906667 |
73 | OZV | 0.670732 | 0.943662 |
74 | PTJ | 0.670588 | 0.894737 |
75 | AOC | 0.666667 | 0.84507 |
76 | AMO | 0.662651 | 0.905405 |
77 | 4AD | 0.662651 | 0.893333 |
78 | A3R | 0.662651 | 0.881579 |
79 | A1R | 0.662651 | 0.881579 |
80 | PAJ | 0.662651 | 0.858974 |
81 | 5N5 | 0.661538 | 0.816901 |
82 | DAL AMP | 0.658537 | 0.90411 |
83 | IMO | 0.657534 | 0.928571 |
84 | DLL | 0.654762 | 0.930556 |
85 | AHX | 0.654762 | 0.87013 |
86 | 00A | 0.654762 | 0.881579 |
87 | 5AS | 0.653333 | 0.776471 |
88 | 5CD | 0.651515 | 0.828571 |
89 | A4D | 0.651515 | 0.816901 |
90 | 6MZ | 0.648649 | 0.957143 |
91 | 9X8 | 0.647059 | 0.893333 |
92 | 3UK | 0.647059 | 0.917808 |
93 | OAD | 0.647059 | 0.917808 |
94 | ADP BMA | 0.647059 | 0.891892 |
95 | 25L | 0.643678 | 0.957747 |
96 | B5V | 0.639535 | 0.905405 |
97 | WAQ | 0.639535 | 0.881579 |
98 | LAD | 0.639535 | 0.858974 |
99 | PR8 | 0.639535 | 0.848101 |
100 | DTA | 0.637681 | 0.808219 |
101 | V3L | 0.6375 | 0.971429 |
102 | 3DH | 0.633803 | 0.794521 |
103 | 1ZZ | 0.632184 | 0.8375 |
104 | NB8 | 0.632184 | 0.87013 |
105 | TXA | 0.632184 | 0.905405 |
106 | FYA | 0.632184 | 0.930556 |
107 | BIS | 0.632184 | 0.906667 |
108 | ME8 | 0.632184 | 0.8375 |
109 | 3OD | 0.632184 | 0.917808 |
110 | MTA | 0.628571 | 0.794521 |
111 | 3AM | 0.625 | 0.956522 |
112 | EP4 | 0.623188 | 0.773333 |
113 | A A | 0.62069 | 0.971429 |
114 | 9SN | 0.617977 | 0.87013 |
115 | M2T | 0.614286 | 0.753247 |
116 | JB6 | 0.613636 | 0.881579 |
117 | FA5 | 0.611111 | 0.905405 |
118 | B5Y | 0.611111 | 0.893333 |
119 | YAP | 0.611111 | 0.893333 |
120 | B5M | 0.611111 | 0.893333 |
121 | H1Q | 0.607595 | 0.929577 |
122 | MYR AMP | 0.606742 | 0.814815 |
123 | G5A | 0.604938 | 0.776471 |
124 | XAH | 0.604396 | 0.8375 |
125 | 4UV | 0.597826 | 0.893333 |
126 | 71V | 0.597403 | 0.906667 |
127 | ATP A | 0.593407 | 0.929577 |
128 | ATP A A A | 0.593407 | 0.929577 |
129 | PAP | 0.592593 | 0.957143 |
130 | G3A | 0.591398 | 0.894737 |
131 | 2AM | 0.589041 | 0.942857 |
132 | 5X8 | 0.5875 | 0.783784 |
133 | 6RE | 0.586667 | 0.779221 |
134 | 6C6 | 0.585366 | 0.905405 |
135 | G5P | 0.585106 | 0.894737 |
136 | 4UU | 0.585106 | 0.893333 |
137 | GA7 | 0.585106 | 0.905405 |
138 | AFH | 0.585106 | 0.858974 |
139 | 7D3 | 0.584416 | 0.878378 |
140 | A5A | 0.583333 | 0.804878 |
141 | TSB | 0.581395 | 0.795181 |
142 | TYR AMP | 0.580645 | 0.868421 |
143 | AMP DBH | 0.580645 | 0.891892 |
144 | 2A5 | 0.580247 | 0.891892 |
145 | GTA | 0.578947 | 0.860759 |
146 | TAD | 0.578947 | 0.858974 |
147 | DQV | 0.578947 | 0.930556 |
148 | DSH | 0.578947 | 0.74359 |
149 | 6IA | 0.578313 | 0.858974 |
150 | SSA | 0.576471 | 0.776471 |
151 | C2R | 0.575342 | 0.876712 |
152 | AMZ | 0.575342 | 0.888889 |
153 | 7D4 | 0.575 | 0.878378 |
154 | PGS | 0.575 | 0.857143 |
155 | ZAS | 0.573333 | 0.786667 |
156 | ATR | 0.573171 | 0.942857 |
157 | LAQ | 0.572917 | 0.8375 |
158 | J7C | 0.571429 | 0.789474 |
159 | AIR | 0.571429 | 0.927536 |
160 | A3N | 0.571429 | 0.783784 |
161 | AAM | 0.571429 | 1 |
162 | PPS | 0.571429 | 0.848101 |
163 | 54H | 0.569767 | 0.785714 |
164 | 52H | 0.569767 | 0.776471 |
165 | VMS | 0.569767 | 0.785714 |
166 | AR6 AR6 | 0.568421 | 0.916667 |
167 | 7MD | 0.568421 | 0.8375 |
168 | ARG AMP | 0.568421 | 0.82716 |
169 | 48N | 0.56701 | 0.87013 |
170 | YLP | 0.56701 | 0.817073 |
171 | OVE | 0.565789 | 0.90411 |
172 | UPA | 0.565657 | 0.881579 |
173 | 2SA | 0.564706 | 0.905405 |
174 | S4M | 0.564103 | 0.682353 |
175 | 8X1 | 0.563218 | 0.75 |
176 | 5CA | 0.563218 | 0.776471 |
177 | 53H | 0.563218 | 0.776471 |
178 | TXD | 0.561224 | 0.881579 |
179 | DND | 0.561224 | 0.905405 |
180 | NAI | 0.561224 | 0.881579 |
181 | UP5 | 0.561224 | 0.893333 |
182 | NXX | 0.561224 | 0.905405 |
183 | NAX | 0.561224 | 0.848101 |
184 | 4UW | 0.561224 | 0.858974 |
185 | 6V0 | 0.561224 | 0.87013 |
186 | NIA | 0.56 | 0.820513 |
187 | DA | 0.558442 | 0.902778 |
188 | D5M | 0.558442 | 0.902778 |
189 | MAO | 0.556962 | 0.777778 |
190 | AHZ | 0.556701 | 0.814815 |
191 | TXE | 0.555556 | 0.881579 |
192 | OMR | 0.555556 | 0.82716 |
193 | TYM | 0.555556 | 0.905405 |
194 | ITT | 0.555556 | 0.915493 |
195 | 5AD | 0.552239 | 0.768116 |
196 | A2R | 0.551724 | 0.957747 |
197 | LPA AMP | 0.55102 | 0.814815 |
198 | NSS | 0.550562 | 0.776471 |
199 | DSZ | 0.550562 | 0.776471 |
200 | LSS | 0.550562 | 0.758621 |
201 | YLB | 0.55 | 0.817073 |
202 | YLC | 0.55 | 0.8375 |
203 | 4TC | 0.55 | 0.87013 |
204 | AP0 | 0.55 | 0.87013 |
205 | P5A | 0.549451 | 0.741573 |
206 | J4G | 0.549451 | 0.918919 |
207 | 139 | 0.54902 | 0.848101 |
208 | A4P | 0.544554 | 0.819277 |
209 | NVA LMS | 0.544444 | 0.75 |
210 | GJV | 0.544304 | 0.769231 |
211 | 7D7 | 0.544118 | 0.763889 |
212 | 9K8 | 0.543478 | 0.711111 |
213 | A7D | 0.54321 | 0.797297 |
214 | AF3 ADP 3PG | 0.54 | 0.835443 |
215 | 6K6 | 0.539326 | 0.957143 |
216 | IOT | 0.539216 | 0.829268 |
217 | LEU LMS | 0.538462 | 0.75 |
218 | A3G | 0.538462 | 0.797297 |
219 | A5D | 0.535714 | 0.808219 |
220 | 7MC | 0.534653 | 0.817073 |
221 | YLA | 0.533981 | 0.817073 |
222 | T5A | 0.533981 | 0.817073 |
223 | ADJ | 0.533981 | 0.82716 |
224 | KAA | 0.532609 | 0.75 |
225 | GSU | 0.532609 | 0.776471 |
226 | 7RA | 0.531646 | 0.985507 |
227 | SFG | 0.53012 | 0.77027 |
228 | HFD | 0.529412 | 0.918919 |
229 | JSQ | 0.529412 | 0.918919 |
230 | SAH | 0.529412 | 0.763158 |
231 | AYB | 0.528846 | 0.807229 |
232 | CNA | 0.528846 | 0.905405 |
233 | N6P | 0.527473 | 0.942029 |
234 | 8BR | 0.525 | 0.931507 |
235 | F2R | 0.52381 | 0.839506 |
236 | 80F | 0.523364 | 0.817073 |
237 | Y3J | 0.521127 | 0.746479 |
238 | YSA | 0.520833 | 0.776471 |
239 | 7RP | 0.518987 | 0.955882 |
240 | NAD | 0.518868 | 0.930556 |
241 | G A A A | 0.518868 | 0.87013 |
242 | COD | 0.518868 | 0.788235 |
243 | BTX | 0.518868 | 0.839506 |
244 | MHZ | 0.518072 | 0.714286 |
245 | SA8 | 0.517647 | 0.725 |
246 | 6AD | 0.517241 | 0.883117 |
247 | BT5 | 0.514019 | 0.829268 |
248 | DZD | 0.514019 | 0.858974 |
249 | RMB | 0.5125 | 0.898551 |
250 | SAI | 0.511628 | 0.753247 |
251 | AV2 | 0.511364 | 0.890411 |
252 | 8PZ | 0.510417 | 0.776471 |
253 | A3D | 0.509259 | 0.917808 |
254 | A3S | 0.506024 | 0.808219 |
255 | 3AT | 0.505747 | 0.943662 |
256 | SAM | 0.505747 | 0.707317 |
257 | SMM | 0.505618 | 0.702381 |
258 | NA7 | 0.505376 | 0.931507 |
259 | B1U | 0.505155 | 0.733333 |
260 | AMP NAD | 0.504673 | 0.90411 |
261 | 4TA | 0.504673 | 0.804878 |
262 | NO7 | 0.5 | 0.905405 |
263 | G | 0.5 | 0.905405 |
264 | 5GP | 0.5 | 0.905405 |
265 | NEC | 0.5 | 0.743243 |
266 | EEM | 0.5 | 0.707317 |
267 | AAT | 0.5 | 0.725 |
268 | M24 | 0.495495 | 0.848101 |
269 | YLY | 0.495495 | 0.807229 |
270 | 7C5 | 0.494949 | 0.815789 |
271 | DAT | 0.494118 | 0.878378 |
272 | A3T | 0.494118 | 0.819444 |
273 | FAI | 0.493827 | 0.888889 |
274 | P2P | 0.493827 | 0.928571 |
275 | 1RB | 0.493671 | 0.911765 |
276 | NAE | 0.491071 | 0.893333 |
277 | NAJ PZO | 0.490909 | 0.846154 |
278 | U A | 0.490909 | 0.906667 |
279 | A G | 0.490741 | 0.881579 |
280 | KOY | 0.490196 | 0.8 |
281 | LQJ | 0.489796 | 0.916667 |
282 | TM1 | 0.489583 | 0.771084 |
283 | A A A | 0.489362 | 0.90411 |
284 | A6D | 0.489362 | 0.740741 |
285 | PO4 PO4 A A A A PO4 | 0.489362 | 0.901408 |
286 | S7M | 0.488889 | 0.707317 |
287 | DTP | 0.488636 | 0.878378 |
288 | RBZ | 0.4875 | 0.873239 |
289 | 101 | 0.4875 | 0.902778 |
290 | EAD | 0.486957 | 0.848101 |
291 | NAQ | 0.486726 | 0.87013 |
292 | U A G G | 0.486239 | 0.881579 |
293 | 4YB | 0.485149 | 0.758621 |
294 | NDE | 0.483051 | 0.931507 |
295 | ZID | 0.482456 | 0.917808 |
296 | N0B | 0.482456 | 0.817073 |
297 | N5O | 0.481481 | 0.76 |
298 | WSA | 0.480769 | 0.785714 |
299 | RGT | 0.479592 | 0.931507 |
300 | ARU | 0.478723 | 0.835443 |
301 | GGZ | 0.478261 | 0.8 |
302 | JLN | 0.47561 | 0.863014 |
303 | ANZ | 0.475248 | 0.820513 |
304 | ACK | 0.475 | 0.885714 |
305 | QQY | 0.475 | 0.837838 |
306 | NAJ PYZ | 0.473684 | 0.804878 |
307 | GEK | 0.473118 | 0.734177 |
308 | AVV | 0.473118 | 0.87013 |
309 | S8M | 0.473118 | 0.779221 |
310 | 3AD | 0.472973 | 0.828571 |
311 | A U | 0.471698 | 0.868421 |
312 | P1H | 0.470588 | 0.82716 |
313 | N5A | 0.46988 | 0.733333 |
314 | 0UM | 0.468085 | 0.716049 |
315 | RVP | 0.467532 | 0.847222 |
316 | 649 | 0.466667 | 0.741573 |
317 | Z5A | 0.465517 | 0.776471 |
318 | PMO | 0.464286 | 0.873239 |
319 | SXZ | 0.463918 | 0.707317 |
320 | 62X | 0.463158 | 0.682353 |
321 | QQX | 0.4625 | 0.826667 |
322 | 8Q2 | 0.462264 | 0.75 |
323 | 2VA | 0.45977 | 0.797297 |
324 | IMP | 0.458824 | 0.90411 |
325 | CC5 | 0.458333 | 0.84058 |
326 | K15 | 0.458333 | 0.698795 |
327 | AS | 0.457831 | 0.855263 |
328 | DDS | 0.455556 | 0.851351 |
329 | V1N | 0.455446 | 0.943662 |
330 | NJP | 0.454545 | 0.918919 |
331 | 7DD | 0.453488 | 0.957143 |
332 | G7M | 0.453488 | 0.87013 |
333 | 93A | 0.453488 | 0.804878 |
334 | 3D1 | 0.453333 | 0.77027 |
335 | 3L1 | 0.453333 | 0.77027 |
336 | EO7 | 0.452381 | 0.785714 |
337 | NDC | 0.45082 | 0.87013 |
338 | FB0 | 0.45082 | 0.781609 |
339 | 0WD | 0.45045 | 0.894737 |
340 | NVA 2AD | 0.449438 | 0.75641 |
341 | 2FA | 0.447368 | 0.810811 |
342 | 26A | 0.447368 | 0.76 |
343 | CMP | 0.447059 | 0.927536 |
344 | 2BA | 0.447059 | 0.914286 |
345 | D3Y | 0.446809 | 0.786667 |
346 | VRT | 0.444444 | 0.766234 |
347 | APU | 0.444444 | 0.893333 |
348 | KB1 | 0.444444 | 0.716049 |
349 | SO8 | 0.444444 | 0.786667 |
350 | FDA | 0.443548 | 0.809524 |
351 | PUA | 0.443478 | 0.858974 |
352 | ODP | 0.441441 | 0.883117 |
353 | 6FA | 0.44 | 0.817073 |
354 | 103 | 0.439024 | 0.861111 |
355 | RP1 | 0.439024 | 0.864865 |
356 | SP1 | 0.439024 | 0.864865 |
357 | 3NZ | 0.438776 | 0.779221 |
358 | A C A C | 0.438596 | 0.846154 |
359 | 7DT | 0.438202 | 0.957143 |
360 | NDP | 0.436364 | 0.894737 |
361 | NPW | 0.436364 | 0.860759 |
362 | MTP | 0.434211 | 0.727273 |
363 | FAD | 0.433071 | 0.82716 |
364 | SFD | 0.433071 | 0.712766 |
365 | FAS | 0.433071 | 0.82716 |
366 | ZZB | 0.432432 | 0.792683 |
367 | NZQ | 0.432432 | 0.883117 |
368 | IRN | 0.432432 | 0.867647 |
369 | TXP | 0.432432 | 0.894737 |
370 | 62F | 0.430769 | 0.8375 |
371 | FNK | 0.430769 | 0.781609 |
372 | 128 | 0.429907 | 0.752941 |
373 | PAX | 0.428571 | 0.82716 |
374 | 6MD | 0.428571 | 0.805556 |
375 | 1DA | 0.428571 | 0.842857 |
376 | 9BG | 0.428571 | 0.87013 |
377 | SLU | 0.426087 | 0.767442 |
378 | XNP | 0.424779 | 0.848101 |
379 | HZ2 | 0.424528 | 0.728395 |
380 | 12D | 0.424528 | 0.761905 |
381 | 5F1 | 0.423077 | 0.72973 |
382 | ETB | 0.422414 | 0.809524 |
383 | DCA | 0.422414 | 0.8 |
384 | F0P | 0.422018 | 0.725 |
385 | ERJ | 0.421687 | 0.777778 |
386 | GUO | 0.421053 | 0.864865 |
387 | WMP | 0.421053 | 0.864865 |
388 | OZP | 0.420561 | 0.725 |
389 | FAY | 0.416667 | 0.8375 |
390 | HY8 | 0.416667 | 0.728395 |
391 | 38Y | 0.415929 | 0.804878 |
392 | 5J9 | 0.415842 | 0.728395 |
393 | 0T1 | 0.415254 | 0.8 |
394 | COA | 0.415254 | 0.8 |
395 | KH3 | 0.415094 | 0.690476 |
396 | N01 | 0.413793 | 0.90411 |
397 | FMP | 0.413793 | 0.871429 |
398 | U A C C | 0.413793 | 0.857143 |
399 | RFL | 0.413534 | 0.797619 |
400 | NMN AMP PO4 | 0.412281 | 0.868421 |
401 | GP2 | 0.408602 | 0.858974 |
402 | GDP | 0.408602 | 0.893333 |
403 | NAP | 0.408333 | 0.944444 |
404 | NOC | 0.407895 | 0.760563 |
405 | 2ER | 0.405941 | 0.831169 |
406 | 1PR | 0.405941 | 0.820513 |
407 | P5F | 0.405797 | 0.8 |
408 | 30N | 0.404959 | 0.731183 |
409 | CAO | 0.404959 | 0.772727 |
410 | COS | 0.404959 | 0.781609 |
411 | AMX | 0.404959 | 0.809524 |
412 | TAP | 0.404959 | 0.906667 |
413 | XMP | 0.402299 | 0.891892 |
414 | G2P | 0.402062 | 0.858974 |
415 | APC G U | 0.401709 | 0.833333 |
416 | CMX | 0.401639 | 0.8 |
417 | SCO | 0.401639 | 0.8 |
418 | U A A U | 0.401639 | 0.906667 |
419 | NA0 | 0.401639 | 0.931507 |
420 | 9JJ | 0.40146 | 0.8375 |
421 | F2N | 0.4 | 0.790698 |
422 | N37 | 0.4 | 0.730769 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | JB6 | 1 | 1 |
2 | T99 | 0.614583 | 0.922078 |
3 | TAT | 0.614583 | 0.922078 |
4 | AMP | 0.613636 | 0.881579 |
5 | A | 0.613636 | 0.881579 |
6 | AT4 | 0.602151 | 0.922078 |
7 | ABM | 0.593407 | 0.858974 |
8 | A2D | 0.593407 | 0.907895 |
9 | 45A | 0.593407 | 0.858974 |
10 | AN2 | 0.585106 | 0.871795 |
11 | AP2 | 0.580645 | 0.873418 |
12 | BA3 | 0.580645 | 0.907895 |
13 | A12 | 0.580645 | 0.873418 |
14 | M33 | 0.578947 | 0.871795 |
15 | B4P | 0.574468 | 0.907895 |
16 | ADP | 0.574468 | 0.883117 |
17 | AP5 | 0.574468 | 0.907895 |
18 | ACP | 0.572917 | 0.884615 |
19 | SRA | 0.571429 | 0.909091 |
20 | ADP MG | 0.568421 | 0.881579 |
21 | AR6 | 0.56701 | 0.883117 |
22 | PRX | 0.56701 | 0.884615 |
23 | APR | 0.56701 | 0.883117 |
24 | AU1 | 0.5625 | 0.860759 |
25 | ADX | 0.5625 | 0.843373 |
26 | CA0 | 0.5625 | 0.860759 |
27 | ADV | 0.561224 | 0.873418 |
28 | RBY | 0.561224 | 0.873418 |
29 | ATP | 0.556701 | 0.883117 |
30 | KG4 | 0.556701 | 0.860759 |
31 | 50T | 0.556701 | 0.848101 |
32 | HEJ | 0.556701 | 0.883117 |
33 | 5FA | 0.55102 | 0.883117 |
34 | APC | 0.55102 | 0.873418 |
35 | AQP | 0.55102 | 0.883117 |
36 | ANP | 0.55 | 0.860759 |
37 | AD9 | 0.545455 | 0.860759 |
38 | ADP PO3 | 0.545455 | 0.881579 |
39 | ATP MG | 0.545455 | 0.881579 |
40 | SAP | 0.545455 | 0.910256 |
41 | APC MG | 0.545455 | 0.858974 |
42 | AGS | 0.545455 | 0.910256 |
43 | 5AL | 0.544554 | 0.871795 |
44 | 4AD | 0.542857 | 0.8625 |
45 | ADP ALF | 0.539216 | 0.817073 |
46 | ALF ADP | 0.539216 | 0.817073 |
47 | ATF | 0.539216 | 0.85 |
48 | 8LQ | 0.538462 | 0.873418 |
49 | GAP | 0.534653 | 0.8375 |
50 | ACQ | 0.534653 | 0.884615 |
51 | SRP | 0.533981 | 0.873418 |
52 | 8LH | 0.533981 | 0.85 |
53 | 8QN | 0.533333 | 0.871795 |
54 | 8LE | 0.529412 | 0.839506 |
55 | PAJ | 0.528302 | 0.809524 |
56 | LMS | 0.526882 | 0.821429 |
57 | DAL AMP | 0.52381 | 0.848101 |
58 | A22 | 0.52381 | 0.896104 |
59 | FYA | 0.522936 | 0.921053 |
60 | TXA | 0.522936 | 0.85 |
61 | SON | 0.520408 | 0.873418 |
62 | VO4 ADP | 0.519231 | 0.871795 |
63 | 6YZ | 0.519231 | 0.884615 |
64 | ADP VO4 | 0.519231 | 0.871795 |
65 | OZV | 0.518868 | 0.883117 |
66 | 9ZA | 0.518868 | 0.829268 |
67 | 9ZD | 0.518868 | 0.829268 |
68 | 5SV | 0.518868 | 0.841463 |
69 | 25A | 0.518868 | 0.907895 |
70 | OAD | 0.518519 | 0.860759 |
71 | 9X8 | 0.518519 | 0.886076 |
72 | HQG | 0.514286 | 0.871795 |
73 | AMO | 0.514019 | 0.873418 |
74 | LAD | 0.513761 | 0.853659 |
75 | MAP | 0.509434 | 0.839506 |
76 | AHX | 0.509259 | 0.841463 |
77 | PTJ | 0.509091 | 0.819277 |
78 | 6RE | 0.505263 | 0.73494 |
79 | OOB | 0.504673 | 0.896104 |
80 | 7MD | 0.504348 | 0.855422 |
81 | ADQ | 0.5 | 0.884615 |
82 | AOC | 0.5 | 0.769231 |
83 | A A | 0.5 | 0.883117 |
84 | PR8 | 0.5 | 0.865854 |
85 | 5N5 | 0.5 | 0.74359 |
86 | A3R | 0.5 | 0.875 |
87 | A1R | 0.5 | 0.875 |
88 | 3OD | 0.495495 | 0.860759 |
89 | BIS | 0.495495 | 0.851852 |
90 | ME8 | 0.495495 | 0.855422 |
91 | NB8 | 0.495495 | 0.841463 |
92 | DLL | 0.495413 | 0.896104 |
93 | 00A | 0.495413 | 0.851852 |
94 | 5AS | 0.494949 | 0.795455 |
95 | J7C | 0.494845 | 0.743902 |
96 | EP4 | 0.494505 | 0.707317 |
97 | A4D | 0.494382 | 0.766234 |
98 | XYA | 0.494253 | 0.766234 |
99 | ADN | 0.494253 | 0.766234 |
100 | RAB | 0.494253 | 0.766234 |
101 | AFH | 0.491379 | 0.853659 |
102 | XAH | 0.491228 | 0.833333 |
103 | 25L | 0.491071 | 0.896104 |
104 | ADP BMA | 0.490909 | 0.860759 |
105 | 3UK | 0.490909 | 0.884615 |
106 | AMP DBH | 0.486957 | 0.8375 |
107 | 9SN | 0.486726 | 0.841463 |
108 | WAQ | 0.486486 | 0.898734 |
109 | B5V | 0.486486 | 0.873418 |
110 | AF3 ADP 3PG | 0.483333 | 0.809524 |
111 | YAP | 0.482456 | 0.886076 |
112 | B5Y | 0.482456 | 0.8625 |
113 | FA5 | 0.482456 | 0.897436 |
114 | 1ZZ | 0.482143 | 0.833333 |
115 | TSB | 0.481481 | 0.793103 |
116 | 48N | 0.478992 | 0.841463 |
117 | YLP | 0.478992 | 0.835294 |
118 | GA7 | 0.478632 | 0.873418 |
119 | MYR AMP | 0.477876 | 0.811765 |
120 | 5CD | 0.477778 | 0.753247 |
121 | AYB | 0.475806 | 0.825581 |
122 | GJV | 0.474747 | 0.72619 |
123 | TYR AMP | 0.474138 | 0.8625 |
124 | 52H | 0.472222 | 0.775281 |
125 | LAQ | 0.470588 | 0.901235 |
126 | G3A | 0.470085 | 0.841463 |
127 | B5M | 0.469565 | 0.8625 |
128 | ATP A | 0.469565 | 0.894737 |
129 | ATP A A A | 0.469565 | 0.894737 |
130 | 5CA | 0.46789 | 0.795455 |
131 | A5A | 0.46729 | 0.802326 |
132 | YLB | 0.467213 | 0.835294 |
133 | UPA | 0.467213 | 0.851852 |
134 | AP0 | 0.467213 | 0.841463 |
135 | YLC | 0.467213 | 0.833333 |
136 | LPA AMP | 0.466667 | 0.878049 |
137 | G5A | 0.466667 | 0.795455 |
138 | 4UU | 0.466102 | 0.8625 |
139 | AR6 AR6 | 0.466102 | 0.883117 |
140 | ARG AMP | 0.466102 | 0.802326 |
141 | G5P | 0.466102 | 0.841463 |
142 | H1Q | 0.466019 | 0.846154 |
143 | SSA | 0.462963 | 0.795455 |
144 | 4UW | 0.46281 | 0.831325 |
145 | 4UV | 0.461538 | 0.8625 |
146 | IOT | 0.459677 | 0.825581 |
147 | OMR | 0.459016 | 0.823529 |
148 | VMS | 0.458716 | 0.784091 |
149 | 54H | 0.458716 | 0.784091 |
150 | 3DH | 0.458333 | 0.746835 |
151 | AHZ | 0.458333 | 0.833333 |
152 | M2T | 0.457447 | 0.710843 |
153 | DTA | 0.457447 | 0.805195 |
154 | YLA | 0.456 | 0.835294 |
155 | ADJ | 0.456 | 0.845238 |
156 | A2P | 0.455446 | 0.868421 |
157 | A3P | 0.455446 | 0.881579 |
158 | MAO | 0.455446 | 0.755814 |
159 | NVA LMS | 0.455357 | 0.788889 |
160 | 7MC | 0.455285 | 0.835294 |
161 | 53H | 0.454545 | 0.775281 |
162 | MTA | 0.452632 | 0.746835 |
163 | NAX | 0.45082 | 0.865854 |
164 | UP5 | 0.45082 | 0.8625 |
165 | 6V0 | 0.45082 | 0.841463 |
166 | NAI | 0.45082 | 0.851852 |
167 | TXD | 0.45082 | 0.875 |
168 | DQV | 0.45 | 0.896104 |
169 | TAD | 0.45 | 0.876543 |
170 | A3N | 0.45 | 0.716049 |
171 | GTA | 0.45 | 0.811765 |
172 | 7D5 | 0.447917 | 0.8 |
173 | KAA | 0.447368 | 0.788889 |
174 | TYM | 0.447154 | 0.897436 |
175 | TXE | 0.447154 | 0.875 |
176 | DSZ | 0.446429 | 0.795455 |
177 | LSS | 0.446429 | 0.777778 |
178 | NSS | 0.446429 | 0.795455 |
179 | COD | 0.445312 | 0.827586 |
180 | BTX | 0.445312 | 0.879518 |
181 | 8PZ | 0.444444 | 0.816092 |
182 | OVE | 0.444444 | 0.871795 |
183 | 4TC | 0.443548 | 0.864198 |
184 | 9K8 | 0.443478 | 0.75 |
185 | 8X1 | 0.441441 | 0.788889 |
186 | YLY | 0.439394 | 0.825581 |
187 | DND | 0.439024 | 0.873418 |
188 | NXX | 0.439024 | 0.873418 |
189 | 3AM | 0.438776 | 0.844156 |
190 | LEU LMS | 0.438596 | 0.769231 |
191 | 5X8 | 0.438095 | 0.759494 |
192 | IMO | 0.435644 | 0.844156 |
193 | V3L | 0.435185 | 0.883117 |
194 | P5A | 0.434783 | 0.8 |
195 | GSU | 0.434783 | 0.816092 |
196 | ZAS | 0.434343 | 0.719512 |
197 | 2A5 | 0.433962 | 0.884615 |
198 | A7D | 0.432692 | 0.794872 |
199 | A2R | 0.432432 | 0.871795 |
200 | S4M | 0.431373 | 0.704545 |
201 | BT5 | 0.430769 | 0.869048 |
202 | ATR | 0.429907 | 0.857143 |
203 | PAP | 0.429907 | 0.87013 |
204 | SA8 | 0.429907 | 0.705882 |
205 | YSA | 0.428571 | 0.816092 |
206 | A4P | 0.428571 | 0.775281 |
207 | 2AM | 0.428571 | 0.833333 |
208 | F2R | 0.426357 | 0.813953 |
209 | DSH | 0.425743 | 0.765432 |
210 | SFG | 0.424528 | 0.746835 |
211 | SMM | 0.423423 | 0.704545 |
212 | S7M | 0.423423 | 0.709302 |
213 | AMP NAD | 0.423077 | 0.871795 |
214 | G A A A | 0.423077 | 0.819277 |
215 | SAM | 0.422018 | 0.709302 |
216 | T5A | 0.421875 | 0.835294 |
217 | 139 | 0.421875 | 0.843373 |
218 | Y3J | 0.419355 | 0.679487 |
219 | N0B | 0.419118 | 0.857143 |
220 | CNA | 0.418605 | 0.873418 |
221 | PPS | 0.418182 | 0.821429 |
222 | M24 | 0.41791 | 0.821429 |
223 | 6MZ | 0.417476 | 0.846154 |
224 | 7D3 | 0.417476 | 0.802469 |
225 | 62X | 0.417391 | 0.685393 |
226 | 80F | 0.416667 | 0.857143 |
227 | B1U | 0.416667 | 0.752688 |
228 | A3D | 0.416667 | 0.884615 |
229 | FB0 | 0.415493 | 0.78022 |
230 | MHZ | 0.415094 | 0.715909 |
231 | 7D4 | 0.415094 | 0.802469 |
232 | 2SA | 0.414414 | 0.85 |
233 | U A | 0.413534 | 0.851852 |
234 | 71V | 0.413462 | 0.851852 |
235 | SAI | 0.412844 | 0.731707 |
236 | SAH | 0.412844 | 0.7625 |
237 | GEK | 0.412281 | 0.756098 |
238 | A G | 0.412214 | 0.829268 |
239 | 4TA | 0.412214 | 0.823529 |
240 | NAD | 0.412214 | 0.896104 |
241 | NEC | 0.411765 | 0.679012 |
242 | A3T | 0.411215 | 0.746835 |
243 | J4G | 0.410256 | 0.886076 |
244 | 8Q2 | 0.409449 | 0.788889 |
245 | DZD | 0.409091 | 0.876543 |
246 | U A G G | 0.409091 | 0.829268 |
247 | 5AD | 0.406593 | 0.697368 |
248 | EEM | 0.405405 | 0.689655 |
249 | 6AD | 0.405405 | 0.853659 |
250 | NAE | 0.404412 | 0.8625 |
251 | A5D | 0.40367 | 0.805195 |
252 | KB1 | 0.403361 | 0.717647 |
253 | NAJ PZO | 0.402985 | 0.819277 |
254 | EAD | 0.402878 | 0.821429 |
255 | ITT | 0.401869 | 0.833333 |
256 | PO4 PO4 A A A A PO4 | 0.401709 | 0.868421 |
257 | WSA | 0.401575 | 0.825581 |
258 | NAQ | 0.40146 | 0.841463 |
259 | NDE | 0.401408 | 0.873418 |
260 | HFD | 0.4 | 0.839506 |
261 | FNK | 0.4 | 0.78022 |
262 | JSQ | 0.4 | 0.839506 |
This union binding pocket(no: 1) in the query (biounit: 5wa9.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |