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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 4 families. | |||||
1 | 1PB1 | - | ICT | C6 H8 O7 | C([C@@H]([.... |
2 | 5ICD | - | ICT | C6 H8 O7 | C([C@@H]([.... |
3 | 1P8F | - | ICT | C6 H8 O7 | C([C@@H]([.... |
4 | 4AJB | - | TAP | C21 H28 N7 O16 P3 S | c1cc(c[n+].... |
5 | 1CW4 | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
6 | 4AJC | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
7 | 4AJS | - | ICT | C6 H8 O7 | C([C@@H]([.... |
8 | 1BL5 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
9 | 1GRP | Ki = 0.189 mM | ICT | C6 H8 O7 | C([C@@H]([.... |
10 | 9ICD | Kd = 125 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
11 | 4AJ3 | - | ICT | C6 H8 O7 | C([C@@H]([.... |
12 | 4AJA | - | ICT | C6 H8 O7 | C([C@@H]([.... |
13 | 1AI3 | Ki = 403 uM | NDO | C21 H27 N6 O18 P3 | c1cc(c[n+].... |
14 | 1ISO | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
15 | 4BNP | Ki = 96 uM | ICT | C6 H8 O7 | C([C@@H]([.... |
16 | 1CW1 | - | ICT | C6 H8 O7 | C([C@@H]([.... |
17 | 1GRO | Ki = 0.033 uM | ICT | C6 H8 O7 | C([C@@H]([.... |
18 | 1IDE | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
19 | 1HJ6 | - | IPM | C7 H12 O5 | CC(C)[C@@H.... |
20 | 1AI2 | Ki = 2.7 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
21 | 8ICD | - | ICT | C6 H8 O7 | C([C@@H]([.... |
22 | 1HQS | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
23 | 2D4V | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1PB1 | - | ICT | C6 H8 O7 | C([C@@H]([.... |
2 | 5ICD | - | ICT | C6 H8 O7 | C([C@@H]([.... |
3 | 1P8F | - | ICT | C6 H8 O7 | C([C@@H]([.... |
4 | 4AJB | - | TAP | C21 H28 N7 O16 P3 S | c1cc(c[n+].... |
5 | 1CW4 | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
6 | 4AJC | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
7 | 4AJS | - | ICT | C6 H8 O7 | C([C@@H]([.... |
8 | 1BL5 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
9 | 1GRP | Ki = 0.189 mM | ICT | C6 H8 O7 | C([C@@H]([.... |
10 | 9ICD | Kd = 125 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
11 | 4AJ3 | - | ICT | C6 H8 O7 | C([C@@H]([.... |
12 | 4AJA | - | ICT | C6 H8 O7 | C([C@@H]([.... |
13 | 1AI3 | Ki = 403 uM | NDO | C21 H27 N6 O18 P3 | c1cc(c[n+].... |
14 | 1ISO | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
15 | 4BNP | Ki = 96 uM | ICT | C6 H8 O7 | C([C@@H]([.... |
16 | 1CW1 | - | ICT | C6 H8 O7 | C([C@@H]([.... |
17 | 1GRO | Ki = 0.033 uM | ICT | C6 H8 O7 | C([C@@H]([.... |
18 | 1IDE | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
19 | 1HJ6 | - | IPM | C7 H12 O5 | CC(C)[C@@H.... |
20 | 1AI2 | Ki = 2.7 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
21 | 8ICD | - | ICT | C6 H8 O7 | C([C@@H]([.... |
22 | 1HQS | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
23 | 2D4V | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
24 | 1XKD | - | ICT | C6 H8 O7 | C([C@@H]([.... |
25 | 1TYO | - | ENP | C17 H24 N5 O17 P3 | c1cn2cnc3c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A2P | 1 | 1 |
2 | ATR | 0.835616 | 0.985294 |
3 | 2AM | 0.80597 | 0.956522 |
4 | A2R | 0.772152 | 0.943662 |
5 | A22 | 0.7625 | 0.943662 |
6 | 25A | 0.731707 | 0.957143 |
7 | NA7 | 0.72619 | 0.917808 |
8 | V3L | 0.7 | 0.957143 |
9 | A | 0.684932 | 0.956522 |
10 | AMP | 0.684932 | 0.956522 |
11 | A3P | 0.684211 | 0.985294 |
12 | OVE | 0.675676 | 0.916667 |
13 | 7D5 | 0.643836 | 0.888889 |
14 | 3AM | 0.626667 | 0.942029 |
15 | 25L | 0.626374 | 0.943662 |
16 | PO4 PO4 A A A A PO4 | 0.611111 | 0.942029 |
17 | NPW | 0.598039 | 0.848101 |
18 | NDP | 0.598039 | 0.881579 |
19 | XNP | 0.596154 | 0.858974 |
20 | PAP | 0.595238 | 0.971014 |
21 | NZQ | 0.592233 | 0.87013 |
22 | TXP | 0.592233 | 0.881579 |
23 | NJP | 0.586538 | 0.905405 |
24 | ODP | 0.586538 | 0.87013 |
25 | ABM | 0.575 | 0.902778 |
26 | 45A | 0.575 | 0.902778 |
27 | A2D | 0.575 | 0.929577 |
28 | PPS | 0.574713 | 0.858974 |
29 | ADP | 0.573171 | 0.957143 |
30 | AMP MG | 0.56962 | 0.914286 |
31 | SRA | 0.56962 | 0.90411 |
32 | AN2 | 0.566265 | 0.943662 |
33 | 2A5 | 0.564706 | 0.90411 |
34 | AP2 | 0.560976 | 0.917808 |
35 | A12 | 0.560976 | 0.917808 |
36 | BA3 | 0.560976 | 0.929577 |
37 | AGS | 0.55814 | 0.905405 |
38 | B4P | 0.554217 | 0.929577 |
39 | AP5 | 0.554217 | 0.929577 |
40 | HEJ | 0.552941 | 0.957143 |
41 | ATP | 0.552941 | 0.957143 |
42 | 7D3 | 0.548781 | 0.890411 |
43 | AT4 | 0.547619 | 0.917808 |
44 | 5FA | 0.546512 | 0.957143 |
45 | APC | 0.546512 | 0.917808 |
46 | AQP | 0.546512 | 0.957143 |
47 | RAB | 0.541667 | 0.802817 |
48 | XYA | 0.541667 | 0.802817 |
49 | ADN | 0.541667 | 0.802817 |
50 | AU1 | 0.541176 | 0.930556 |
51 | M33 | 0.541176 | 0.916667 |
52 | ADX | 0.541176 | 0.835443 |
53 | 7D4 | 0.541176 | 0.890411 |
54 | CA0 | 0.541176 | 0.90411 |
55 | NAP | 0.539823 | 0.930556 |
56 | HQG | 0.538462 | 0.943662 |
57 | 1DG | 0.535088 | 0.881579 |
58 | DG1 | 0.535088 | 0.881579 |
59 | TAP | 0.535088 | 0.893333 |
60 | ACP | 0.534884 | 0.930556 |
61 | KG4 | 0.534884 | 0.90411 |
62 | 50T | 0.534884 | 0.916667 |
63 | 7L1 | 0.530435 | 0.761364 |
64 | NA0 | 0.530435 | 0.917808 |
65 | ADP BEF | 0.529412 | 0.928571 |
66 | ADP MG | 0.529412 | 0.928571 |
67 | APR | 0.528736 | 0.929577 |
68 | AR6 | 0.528736 | 0.929577 |
69 | PRX | 0.528736 | 0.878378 |
70 | ACQ | 0.52809 | 0.930556 |
71 | T99 | 0.52809 | 0.917808 |
72 | TAT | 0.52809 | 0.917808 |
73 | D5M | 0.52439 | 0.915493 |
74 | DA | 0.52439 | 0.915493 |
75 | ADV | 0.522727 | 0.891892 |
76 | RBY | 0.522727 | 0.891892 |
77 | AD9 | 0.522727 | 0.930556 |
78 | ADQ | 0.521277 | 0.90411 |
79 | LMS | 0.518519 | 0.8125 |
80 | SON | 0.511628 | 0.917808 |
81 | ANP | 0.511111 | 0.930556 |
82 | 6YZ | 0.51087 | 0.930556 |
83 | NMN AMP PO4 | 0.509091 | 0.855263 |
84 | 7D7 | 0.506849 | 0.75 |
85 | ATP MG | 0.505618 | 0.928571 |
86 | ADP PO3 | 0.505618 | 0.928571 |
87 | APC MG | 0.505618 | 0.902778 |
88 | V2G | 0.505495 | 0.881579 |
89 | 5AL | 0.505495 | 0.916667 |
90 | 8LE | 0.505495 | 0.88 |
91 | J4G | 0.505155 | 0.905405 |
92 | ATF | 0.5 | 0.917808 |
93 | AV2 | 0.5 | 0.929577 |
94 | BEF ADP | 0.5 | 0.902778 |
95 | CO7 | 0.495935 | 0.770115 |
96 | AR6 AR6 | 0.495146 | 0.902778 |
97 | ENP | 0.494845 | 0.878378 |
98 | OAD | 0.494845 | 0.90411 |
99 | 9X8 | 0.494845 | 0.88 |
100 | ADP BMA | 0.494845 | 0.878378 |
101 | 5SV | 0.494737 | 0.833333 |
102 | SRP | 0.494624 | 0.891892 |
103 | 8LH | 0.494624 | 0.891892 |
104 | GAP | 0.494505 | 0.878378 |
105 | 101 | 0.493976 | 0.888889 |
106 | 5N5 | 0.486842 | 0.777778 |
107 | KMQ | 0.485149 | 0.891892 |
108 | BIS | 0.484848 | 0.893333 |
109 | PTJ | 0.484848 | 0.881579 |
110 | 00A | 0.484536 | 0.868421 |
111 | 8LQ | 0.484211 | 0.891892 |
112 | QA7 | 0.484211 | 0.88 |
113 | MAP | 0.484211 | 0.905405 |
114 | ANP MG | 0.483871 | 0.916667 |
115 | ALF ADP | 0.483871 | 0.855263 |
116 | VO4 ADP | 0.483871 | 0.930556 |
117 | CUU | 0.483146 | 0.957143 |
118 | 5AS | 0.482759 | 0.764706 |
119 | N01 | 0.482456 | 0.890411 |
120 | 5CD | 0.480519 | 0.788732 |
121 | A4D | 0.480519 | 0.777778 |
122 | OZV | 0.479167 | 0.929577 |
123 | 9ZD | 0.479167 | 0.893333 |
124 | 8QN | 0.479167 | 0.916667 |
125 | OOB | 0.479167 | 0.916667 |
126 | 9ZA | 0.479167 | 0.893333 |
127 | 3AT | 0.478261 | 0.957143 |
128 | DTA | 0.475 | 0.77027 |
129 | A3R | 0.474227 | 0.868421 |
130 | PAJ | 0.474227 | 0.846154 |
131 | AMO | 0.474227 | 0.891892 |
132 | A1R | 0.474227 | 0.868421 |
133 | 4AD | 0.474227 | 0.88 |
134 | 9BG | 0.473214 | 0.881579 |
135 | AOC | 0.470588 | 0.805556 |
136 | A3G | 0.470588 | 0.76 |
137 | 1ZZ | 0.47 | 0.825 |
138 | FYA | 0.47 | 0.890411 |
139 | 3OD | 0.47 | 0.90411 |
140 | JNT | 0.469388 | 0.90411 |
141 | AHX | 0.469388 | 0.857143 |
142 | DLL | 0.469388 | 0.916667 |
143 | MTA | 0.469136 | 0.756757 |
144 | 0WD | 0.469027 | 0.881579 |
145 | DAL AMP | 0.46875 | 0.890411 |
146 | UPA | 0.46789 | 0.868421 |
147 | 5X8 | 0.466667 | 0.746667 |
148 | DAT | 0.466667 | 0.916667 |
149 | 2VA | 0.466667 | 0.76 |
150 | LQJ | 0.466019 | 0.929577 |
151 | TM1 | 0.465347 | 0.802469 |
152 | 3UK | 0.464646 | 0.90411 |
153 | APU | 0.463636 | 0.905405 |
154 | EP4 | 0.4625 | 0.736842 |
155 | DTP | 0.462366 | 0.916667 |
156 | NWW | 0.461538 | 0.742857 |
157 | 9SN | 0.460784 | 0.857143 |
158 | LAD | 0.46 | 0.846154 |
159 | WAQ | 0.46 | 0.868421 |
160 | B5V | 0.46 | 0.891892 |
161 | PR8 | 0.46 | 0.835443 |
162 | 6RE | 0.458824 | 0.74359 |
163 | 3DH | 0.457831 | 0.756757 |
164 | M2T | 0.45679 | 0.717949 |
165 | NVA 2AD | 0.456522 | 0.721519 |
166 | ATP A A A | 0.456311 | 0.915493 |
167 | ATP A | 0.456311 | 0.915493 |
168 | TXA | 0.455446 | 0.891892 |
169 | ME8 | 0.455446 | 0.825 |
170 | JB6 | 0.455446 | 0.868421 |
171 | NB8 | 0.455446 | 0.857143 |
172 | GGZ | 0.453608 | 0.833333 |
173 | 5AD | 0.453333 | 0.753623 |
174 | ANZ | 0.45283 | 0.831169 |
175 | VRT | 0.451613 | 0.730769 |
176 | G5A | 0.451613 | 0.764706 |
177 | SO8 | 0.451613 | 0.75 |
178 | KL2 | 0.451219 | 0.873239 |
179 | MYR AMP | 0.45098 | 0.802469 |
180 | PUA | 0.449153 | 0.87013 |
181 | Y3J | 0.448718 | 0.732394 |
182 | AS | 0.448276 | 0.866667 |
183 | IMO | 0.448276 | 0.914286 |
184 | ACK | 0.447059 | 0.898551 |
185 | 103 | 0.447059 | 0.847222 |
186 | QQY | 0.447059 | 0.849315 |
187 | OMR | 0.445455 | 0.814815 |
188 | NDP DTT | 0.444444 | 0.783133 |
189 | A3S | 0.444444 | 0.77027 |
190 | 6MZ | 0.443182 | 0.915493 |
191 | 3AD | 0.443038 | 0.814286 |
192 | B5Y | 0.442308 | 0.88 |
193 | FA5 | 0.442308 | 0.891892 |
194 | B5M | 0.442308 | 0.88 |
195 | AFH | 0.439252 | 0.846154 |
196 | TSB | 0.438776 | 0.783133 |
197 | XAH | 0.438095 | 0.825 |
198 | A5A | 0.4375 | 0.792683 |
199 | DSH | 0.436782 | 0.708861 |
200 | NAX | 0.436364 | 0.835443 |
201 | NAI | 0.436364 | 0.868421 |
202 | QQX | 0.435294 | 0.837838 |
203 | H1Q | 0.434783 | 0.888889 |
204 | A3T | 0.434783 | 0.780822 |
205 | 4UV | 0.433962 | 0.88 |
206 | SSA | 0.43299 | 0.764706 |
207 | J7C | 0.431818 | 0.753247 |
208 | DDS | 0.431579 | 0.888889 |
209 | LAQ | 0.431193 | 0.825 |
210 | ZAS | 0.430233 | 0.75 |
211 | G3A | 0.429907 | 0.881579 |
212 | AP0 | 0.428571 | 0.857143 |
213 | CC5 | 0.428571 | 0.8 |
214 | 52H | 0.428571 | 0.764706 |
215 | DCA | 0.428571 | 0.788235 |
216 | VMS | 0.428571 | 0.77381 |
217 | 54H | 0.428571 | 0.77381 |
218 | ETB | 0.428571 | 0.797619 |
219 | 48N | 0.427273 | 0.857143 |
220 | DZ4 | 0.427083 | 0.891892 |
221 | S4M | 0.426966 | 0.651163 |
222 | 8BR | 0.426966 | 0.891892 |
223 | G5P | 0.425926 | 0.881579 |
224 | 7MD | 0.425926 | 0.825 |
225 | GA7 | 0.425926 | 0.866667 |
226 | 4UU | 0.425926 | 0.88 |
227 | ARG AMP | 0.425926 | 0.814815 |
228 | 3D1 | 0.425 | 0.756757 |
229 | 3L1 | 0.425 | 0.756757 |
230 | 53H | 0.424242 | 0.764706 |
231 | 8X1 | 0.424242 | 0.738636 |
232 | 5CA | 0.424242 | 0.764706 |
233 | 6V0 | 0.423423 | 0.857143 |
234 | TXD | 0.423423 | 0.868421 |
235 | 4UW | 0.423423 | 0.846154 |
236 | UP5 | 0.423423 | 0.88 |
237 | PAX | 0.422764 | 0.8375 |
238 | MAO | 0.422222 | 0.743902 |
239 | 71V | 0.422222 | 0.868421 |
240 | GTA | 0.422018 | 0.848101 |
241 | TAD | 0.422018 | 0.846154 |
242 | DQV | 0.422018 | 0.916667 |
243 | 0T1 | 0.421488 | 0.788235 |
244 | COA | 0.421488 | 0.788235 |
245 | SAH | 0.421053 | 0.727273 |
246 | AMP DBH | 0.420561 | 0.853333 |
247 | NEC | 0.420455 | 0.72973 |
248 | TYM | 0.419643 | 0.891892 |
249 | ALF ADP 3PG | 0.419643 | 0.822785 |
250 | TXE | 0.419643 | 0.868421 |
251 | SFG | 0.419355 | 0.733333 |
252 | NDO | 0.418033 | 0.90411 |
253 | P5A | 0.417476 | 0.730337 |
254 | 139 | 0.417391 | 0.835443 |
255 | 4TC | 0.415929 | 0.857143 |
256 | LSS | 0.415842 | 0.747126 |
257 | NSS | 0.415842 | 0.764706 |
258 | DSZ | 0.415842 | 0.764706 |
259 | AAM | 0.41573 | 0.956522 |
260 | A3N | 0.41573 | 0.746667 |
261 | WMP | 0.415254 | 0.876712 |
262 | YLP | 0.414414 | 0.804878 |
263 | LPA AMP | 0.414414 | 0.802469 |
264 | ZZB | 0.413793 | 0.802469 |
265 | A7D | 0.413043 | 0.76 |
266 | C2R | 0.411765 | 0.863014 |
267 | AMZ | 0.411765 | 0.875 |
268 | NVA LMS | 0.411765 | 0.738636 |
269 | CAO | 0.41129 | 0.761364 |
270 | 30N | 0.41129 | 0.72043 |
271 | COS | 0.41129 | 0.770115 |
272 | AMX | 0.41129 | 0.797619 |
273 | B1U | 0.411215 | 0.722222 |
274 | GJV | 0.411111 | 0.734177 |
275 | DND | 0.410714 | 0.891892 |
276 | 128 | 0.410714 | 0.783133 |
277 | SA8 | 0.410526 | 0.691358 |
278 | A5D | 0.410526 | 0.77027 |
279 | PGS | 0.408602 | 0.844156 |
280 | 2SA | 0.408163 | 0.891892 |
281 | CMX | 0.408 | 0.788235 |
282 | SCO | 0.408 | 0.788235 |
283 | NWQ | 0.406977 | 0.722222 |
284 | CA6 | 0.40625 | 0.697917 |
285 | 6C6 | 0.40625 | 0.866667 |
286 | SAI | 0.40625 | 0.717949 |
287 | 12D | 0.405405 | 0.792683 |
288 | AHZ | 0.405405 | 0.802469 |
289 | ADJ | 0.405172 | 0.814815 |
290 | FCX | 0.404762 | 0.761364 |
291 | ACO | 0.404762 | 0.761364 |
292 | FAM | 0.404762 | 0.770115 |
293 | N5O | 0.404494 | 0.746667 |
294 | S7M | 0.40404 | 0.674699 |
295 | GSU | 0.403846 | 0.764706 |
296 | KAA | 0.403846 | 0.738636 |
297 | 7MC | 0.403509 | 0.804878 |
298 | L3W | 0.403509 | 0.891892 |
299 | YLB | 0.403509 | 0.804878 |
300 | YLC | 0.403509 | 0.825 |
301 | NIA | 0.402299 | 0.807692 |
302 | 2GP | 0.402174 | 0.891892 |
303 | 6IA | 0.402062 | 0.822785 |
304 | HAX | 0.401575 | 0.770115 |
305 | 9K8 | 0.4 | 0.7 |
306 | A4P | 0.4 | 0.807229 |
307 | 80F | 0.4 | 0.804878 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NMN | 1 | 1 |
2 | NNR | 0.693548 | 0.818182 |
3 | NCN | 0.647887 | 0.892308 |
4 | A7R | 0.56383 | 0.863014 |
5 | NAD IBO | 0.524752 | 0.861111 |
6 | 8ID | 0.524752 | 0.807692 |
7 | NAD TDB | 0.524752 | 0.861111 |
8 | NGD | 0.514563 | 0.831169 |
9 | NHD | 0.509434 | 0.875 |
10 | NAD | 0.509434 | 0.875 |
11 | NAJ | 0.504762 | 0.875 |
12 | NDO | 0.491071 | 0.888889 |
13 | NAP | 0.486726 | 0.888889 |
14 | NFD | 0.486239 | 0.828947 |
15 | NBP | 0.465517 | 0.831169 |
16 | DND | 0.461538 | 0.851351 |
17 | A3D | 0.421053 | 0.863014 |
18 | N01 | 0.417391 | 0.849315 |
19 | AMP NAD | 0.415929 | 0.849315 |
20 | CH | 0.407407 | 0.849315 |
21 | NA0 | 0.404959 | 0.876712 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AKG | 1.0000 |
2 | ATH | 0.9902 |
3 | TRA | 0.9724 |
4 | CIT | 0.9604 |
5 | 7A3 | 0.9543 |
6 | 40F | 0.9533 |
7 | FLC | 0.9527 |
8 | MIC | 0.9521 |
9 | NCD | 0.9503 |
10 | NTC | 0.9499 |
11 | XQB | 0.9469 |
12 | 5UK | 0.9458 |
13 | TRC | 0.9452 |
14 | HCT | 0.9450 |
15 | DMO | 0.9445 |
16 | 1AL | 0.9403 |
17 | 7A2 | 0.9377 |
18 | ALA PRO | 0.9315 |
19 | 8WQ | 0.9303 |
20 | NLG | 0.9275 |
21 | IPM | 0.9274 |
22 | 3S4 | 0.9260 |
23 | GLY ASP | 0.9258 |
24 | 7QD | 0.9250 |
25 | CCB | 0.9242 |
26 | 0FA | 0.9239 |
27 | ICO | 0.9238 |
28 | NFQ | 0.9229 |
29 | NTM | 0.9221 |
30 | 4WK | 0.9220 |
31 | NQM | 0.9211 |
32 | AN0 | 0.9210 |
33 | HJ7 | 0.9203 |
34 | P4B | 0.9203 |
35 | PDC | 0.9199 |
36 | NLQ | 0.9193 |
37 | SIF | 0.9192 |
38 | NIG | 0.9185 |
39 | AOR | 0.9185 |
40 | 2CG | 0.9182 |
41 | C5A | 0.9178 |
42 | GBN | 0.9162 |
43 | GLY PRO | 0.9120 |
44 | S2T | 0.9117 |
45 | 8VN | 0.9114 |
46 | YQA | 0.9111 |
47 | GLY LEU | 0.9107 |
48 | 1N4 | 0.9104 |
49 | 40H | 0.9102 |
50 | PHT | 0.9098 |
51 | ZZ8 | 0.9090 |
52 | HCA | 0.9089 |
53 | EKN | 0.9088 |
54 | Q7A | 0.9085 |
55 | IJZ | 0.9079 |
56 | 87L | 0.9076 |
57 | V6F | 0.9071 |
58 | F12 | 0.9063 |
59 | VPR | 0.9059 |
60 | PD2 | 0.9059 |
61 | NZ2 | 0.9057 |
62 | 2ZQ | 0.9052 |
63 | C2Y | 0.9049 |
64 | 5XB | 0.9046 |
65 | CDV | 0.9041 |
66 | AIN | 0.9041 |
67 | LAO | 0.9037 |
68 | JKZ | 0.9037 |
69 | OTD | 0.9036 |
70 | ADA | 0.9035 |
71 | FOT | 0.9031 |
72 | 5RN | 0.9031 |
73 | AMG | 0.9031 |
74 | MAH | 0.9031 |
75 | GCB | 0.9023 |
76 | K2P | 0.9022 |
77 | 60Q | 0.9020 |
78 | DII | 0.9017 |
79 | OMD | 0.9012 |
80 | KDF | 0.9009 |
81 | GJS | 0.9008 |
82 | IPZ | 0.9007 |
83 | BRR | 0.9006 |
84 | AME | 0.9003 |
85 | ENL | 0.9002 |
86 | LT8 | 0.9001 |
87 | GM7 | 0.9000 |
88 | A3M | 0.8998 |
89 | DNC | 0.8997 |
90 | GOX | 0.8994 |
91 | HA7 | 0.8989 |
92 | 3MF | 0.8988 |
93 | KFH | 0.8987 |
94 | GTQ | 0.8983 |
95 | Q6T | 0.8981 |
96 | GOG | 0.8979 |
97 | 6JN | 0.8978 |
98 | GV9 | 0.8978 |
99 | XSP | 0.8975 |
100 | 2PG | 0.8975 |
101 | FRU | 0.8973 |
102 | MBG | 0.8973 |
103 | GLR | 0.8972 |
104 | LSA | 0.8971 |
105 | LLH | 0.8963 |
106 | 3C1 | 0.8963 |
107 | DNF | 0.8956 |
108 | 256 | 0.8954 |
109 | 6R8 | 0.8951 |
110 | EVA | 0.8949 |
111 | 0GZ | 0.8947 |
112 | 23J | 0.8947 |
113 | GCO | 0.8946 |
114 | SF6 | 0.8944 |
115 | I3A | 0.8944 |
116 | M44 | 0.8942 |
117 | CBF | 0.8942 |
118 | PRZ | 0.8942 |
119 | 0F9 | 0.8941 |
120 | OW4 | 0.8940 |
121 | CDT | 0.8939 |
122 | Z5P | 0.8939 |
123 | 3C2 | 0.8939 |
124 | 5RG | 0.8938 |
125 | PCV | 0.8938 |
126 | AH8 | 0.8936 |
127 | 15N | 0.8933 |
128 | KLW | 0.8932 |
129 | 3MV | 0.8932 |
130 | 41K | 0.8931 |
131 | HMQ | 0.8930 |
132 | GLG | 0.8930 |
133 | 091 | 0.8929 |
134 | 791 | 0.8927 |
135 | LY0 | 0.8926 |
136 | 2MN | 0.8923 |
137 | HLD | 0.8921 |
138 | QAT | 0.8920 |
139 | 34D | 0.8920 |
140 | BDP | 0.8920 |
141 | 5WY | 0.8918 |
142 | 8G0 | 0.8918 |
143 | LFC | 0.8917 |
144 | ORO | 0.8915 |
145 | PQK | 0.8913 |
146 | 42C | 0.8913 |
147 | J9Q | 0.8913 |
148 | UAN | 0.8912 |
149 | 6XI | 0.8911 |
150 | GLC | 0.8910 |
151 | AKH | 0.8910 |
152 | 5OB | 0.8909 |
153 | URC | 0.8903 |
154 | HQ9 | 0.8901 |
155 | PSV | 0.8900 |
156 | 4HC | 0.8900 |
157 | XX3 | 0.8898 |
158 | SKM | 0.8897 |
159 | 54G | 0.8893 |
160 | 0GY | 0.8891 |
161 | 3AL | 0.8891 |
162 | SER PRO | 0.8890 |
163 | 2BX | 0.8889 |
164 | 7UC | 0.8889 |
165 | 3R9 | 0.8889 |
166 | OVM | 0.8888 |
167 | 3NY | 0.8887 |
168 | 6NT | 0.8886 |
169 | 3MG | 0.8884 |
170 | VNL | 0.8882 |
171 | ECG | 0.8881 |
172 | 0HO | 0.8881 |
173 | AVJ | 0.8880 |
174 | 3MB | 0.8880 |
175 | OIA | 0.8879 |
176 | GLA | 0.8878 |
177 | RNT | 0.8878 |
178 | 1F1 | 0.8877 |
179 | HNQ | 0.8877 |
180 | D1X | 0.8875 |
181 | R9S | 0.8874 |
182 | PRE | 0.8873 |
183 | 7VS | 0.8873 |
184 | II6 | 0.8872 |
185 | KTA | 0.8872 |
186 | 9MG | 0.8870 |
187 | GAL | 0.8868 |
188 | LX1 | 0.8867 |
189 | ONR | 0.8867 |
190 | DQA | 0.8866 |
191 | X1R | 0.8865 |
192 | FUD | 0.8865 |
193 | GCS | 0.8865 |
194 | CAX | 0.8864 |
195 | ALA LEU | 0.8863 |
196 | 9SE | 0.8863 |
197 | FA3 | 0.8862 |
198 | N8P | 0.8862 |
199 | 2LY | 0.8861 |
200 | KDO | 0.8860 |
201 | 9TZ | 0.8860 |
202 | 1U1 | 0.8859 |
203 | 5XR | 0.8859 |
204 | SC2 | 0.8857 |
205 | GZ8 | 0.8856 |
206 | J01 | 0.8855 |
207 | M3S | 0.8854 |
208 | 0HN | 0.8854 |
209 | KIB | 0.8853 |
210 | NVU | 0.8853 |
211 | 8GK | 0.8852 |
212 | 5M0 | 0.8852 |
213 | 2AL | 0.8851 |
214 | EJZ | 0.8850 |
215 | MCO | 0.8850 |
216 | NAG | 0.8849 |
217 | DOR | 0.8847 |
218 | RNS | 0.8846 |
219 | SHA | 0.8846 |
220 | 7HQ | 0.8844 |
221 | DBX | 0.8843 |
222 | 9KH | 0.8842 |
223 | 4ME | 0.8841 |
224 | LT3 | 0.8840 |
225 | AVI | 0.8840 |
226 | 7ZE | 0.8839 |
227 | VOH | 0.8837 |
228 | IAC | 0.8836 |
229 | FX1 | 0.8836 |
230 | DXG | 0.8835 |
231 | F69 | 0.8833 |
232 | FE DB1 | 0.8832 |
233 | KIA | 0.8832 |
234 | 92K | 0.8831 |
235 | 3C7 | 0.8831 |
236 | 7WR | 0.8831 |
237 | TLM | 0.8829 |
238 | 92P | 0.8828 |
239 | FA0 | 0.8828 |
240 | 0CG | 0.8827 |
241 | INE | 0.8827 |
242 | 4TU | 0.8827 |
243 | F31 | 0.8826 |
244 | V55 | 0.8825 |
245 | 5ZZ | 0.8824 |
246 | XEN | 0.8823 |
247 | AVO | 0.8822 |
248 | X1E | 0.8821 |
249 | 8TX | 0.8821 |
250 | REL | 0.8817 |
251 | 8EW | 0.8817 |
252 | 97T | 0.8817 |
253 | GTL | 0.8817 |
254 | QPR | 0.8815 |
255 | 4AA | 0.8814 |
256 | X1P | 0.8813 |
257 | 2ZM | 0.8812 |
258 | 8XQ | 0.8811 |
259 | 5MK | 0.8809 |
260 | 293 | 0.8808 |
261 | 3PO | 0.8807 |
262 | GTR | 0.8807 |
263 | PPK | 0.8805 |
264 | GLO | 0.8805 |
265 | BZ3 | 0.8803 |
266 | 56D | 0.8802 |
267 | QM1 | 0.8802 |
268 | 463 | 0.8801 |
269 | 0LH | 0.8801 |
270 | SXS | 0.8801 |
271 | DOB | 0.8801 |
272 | AQK | 0.8800 |
273 | 9RH | 0.8798 |
274 | XH2 | 0.8797 |
275 | GTC | 0.8796 |
276 | IOS | 0.8793 |
277 | FOC | 0.8793 |
278 | HLZ | 0.8790 |
279 | M0Q | 0.8789 |
280 | FF3 | 0.8789 |
281 | KDG | 0.8789 |
282 | DJN | 0.8789 |
283 | TPO | 0.8788 |
284 | FWB | 0.8788 |
285 | 8VE | 0.8786 |
286 | MLE | 0.8785 |
287 | 3BU | 0.8784 |
288 | KBG | 0.8784 |
289 | 4P0 | 0.8782 |
290 | 6NI | 0.8781 |
291 | EPR | 0.8781 |
292 | SLC | 0.8779 |
293 | JAW | 0.8779 |
294 | GZQ | 0.8778 |
295 | QAS | 0.8776 |
296 | NGO | 0.8776 |
297 | AHD | 0.8775 |
298 | NZ3 | 0.8772 |
299 | 5HY | 0.8771 |
300 | M1E | 0.8771 |
301 | FA6 | 0.8771 |
302 | 8GL | 0.8771 |
303 | DIG | 0.8771 |
304 | 0JD | 0.8770 |
305 | M72 | 0.8770 |
306 | 1X7 | 0.8770 |
307 | HHT | 0.8769 |
308 | O2A | 0.8769 |
309 | 61M | 0.8768 |
310 | LPK | 0.8767 |
311 | QIC | 0.8767 |
312 | HA5 | 0.8766 |
313 | KMH | 0.8764 |
314 | 6W6 | 0.8763 |
315 | CKX | 0.8763 |
316 | BMA | 0.8761 |
317 | R1P | 0.8761 |
318 | 2CZ | 0.8760 |
319 | M1H | 0.8760 |
320 | TIU | 0.8759 |
321 | SOR | 0.8758 |
322 | DBJ | 0.8758 |
323 | GUN | 0.8758 |
324 | NGA | 0.8755 |
325 | A13 | 0.8754 |
326 | IOP | 0.8752 |
327 | AW5 | 0.8752 |
328 | C2U | 0.8751 |
329 | 8S0 | 0.8751 |
330 | CS2 | 0.8750 |
331 | DHK | 0.8750 |
332 | M2K | 0.8749 |
333 | FHN | 0.8748 |
334 | TAG | 0.8747 |
335 | 2FT | 0.8746 |
336 | PSJ | 0.8746 |
337 | FBG | 0.8746 |
338 | S24 | 0.8745 |
339 | BK9 | 0.8745 |
340 | GT0 | 0.8745 |
341 | MFU | 0.8744 |
342 | PPY | 0.8744 |
343 | 449 | 0.8744 |
344 | XAN | 0.8742 |
345 | JJQ | 0.8741 |
346 | AUD | 0.8740 |
347 | HQJ | 0.8739 |
348 | IFG | 0.8738 |
349 | HBU | 0.8738 |
350 | 9DG | 0.8737 |
351 | 9PY | 0.8736 |
352 | 67X | 0.8735 |
353 | ZWZ | 0.8734 |
354 | OA3 | 0.8733 |
355 | SRO | 0.8733 |
356 | LFR | 0.8733 |
357 | 5CU | 0.8732 |
358 | 5FN | 0.8731 |
359 | HDL | 0.8730 |
360 | ABI | 0.8729 |
361 | NLA | 0.8729 |
362 | 7NI | 0.8729 |
363 | TSR | 0.8728 |
364 | ASC | 0.8728 |
365 | 6DP | 0.8726 |
366 | MA3 | 0.8726 |
367 | 6CS | 0.8725 |
368 | HJP | 0.8724 |
369 | GNL | 0.8724 |
370 | MEV | 0.8723 |
371 | A2G | 0.8723 |
372 | NGT | 0.8722 |
373 | NGW | 0.8722 |
374 | JF4 | 0.8722 |
375 | OHP | 0.8721 |
376 | APG | 0.8721 |
377 | AOS | 0.8720 |
378 | MAN | 0.8718 |
379 | M0W | 0.8717 |
380 | PXL | 0.8717 |
381 | KBB | 0.8715 |
382 | MWP | 0.8715 |
383 | M5E | 0.8714 |
384 | 6LW | 0.8714 |
385 | GLN | 0.8714 |
386 | SF9 | 0.8713 |
387 | KYA | 0.8712 |
388 | DHS | 0.8711 |
389 | 4AV | 0.8710 |
390 | RD4 | 0.8709 |
391 | AI2 | 0.8708 |
392 | 52C | 0.8708 |
393 | OXC | 0.8708 |
394 | MHK | 0.8707 |
395 | MQB | 0.8707 |
396 | NSG | 0.8706 |
397 | EYK | 0.8705 |
398 | SDD | 0.8704 |
399 | 2C2 | 0.8704 |
400 | TX4 | 0.8704 |
401 | RES | 0.8703 |
402 | PFL | 0.8703 |
403 | EUG | 0.8702 |
404 | GYE | 0.8702 |
405 | M74 | 0.8701 |
406 | QBK | 0.8701 |
407 | FA1 | 0.8701 |
408 | QUS | 0.8700 |
409 | FBU | 0.8700 |
410 | AS3 | 0.8700 |
411 | G8M | 0.8699 |
412 | ODO | 0.8699 |
413 | OVP | 0.8699 |
414 | 39U | 0.8698 |
415 | 9BZ | 0.8698 |
416 | OEM | 0.8698 |
417 | MES | 0.8697 |
418 | GDE | 0.8696 |
419 | DAL DAL | 0.8695 |
420 | 4OG | 0.8694 |
421 | 3R6 | 0.8693 |
422 | 49N | 0.8692 |
423 | 5RP | 0.8690 |
424 | F0J | 0.8688 |
425 | 4M0 | 0.8688 |
426 | GVM | 0.8686 |
427 | M75 | 0.8685 |
428 | 15A | 0.8683 |
429 | 5NI | 0.8682 |
430 | 61O | 0.8681 |
431 | 3HP | 0.8681 |
432 | GLY CYS | 0.8680 |
433 | 4TE | 0.8680 |
434 | 152 | 0.8676 |
435 | 4CS | 0.8676 |
436 | 7VJ | 0.8676 |
437 | 30G | 0.8675 |
438 | DEW | 0.8674 |
439 | AL0 | 0.8674 |
440 | 210 | 0.8673 |
441 | H6B | 0.8673 |
442 | M5N | 0.8673 |
443 | ROR | 0.8673 |
444 | NOK | 0.8672 |
445 | FDK | 0.8671 |
446 | JR2 | 0.8669 |
447 | JDN | 0.8669 |
448 | X8Z | 0.8668 |
449 | NBG | 0.8668 |
450 | NID | 0.8668 |
451 | BM3 | 0.8668 |
452 | 15L | 0.8664 |
453 | 069 | 0.8663 |
454 | IXW | 0.8663 |
455 | A5P | 0.8663 |
456 | S3B | 0.8660 |
457 | SOL | 0.8659 |
458 | BHA | 0.8656 |
459 | ZPF | 0.8653 |
460 | AZ8 | 0.8653 |
461 | UNC | 0.8651 |
462 | UEG | 0.8651 |
463 | GAB | 0.8650 |
464 | 3NT | 0.8650 |
465 | PEZ | 0.8649 |
466 | DGL | 0.8648 |
467 | VXX | 0.8648 |
468 | M4E | 0.8644 |
469 | QMS | 0.8640 |
470 | FIX | 0.8638 |
471 | 3HB | 0.8638 |
472 | MS9 | 0.8638 |
473 | 2SX | 0.8637 |
474 | MO8 | 0.8636 |
475 | 1FF | 0.8633 |
476 | P84 | 0.8632 |
477 | FH2 | 0.8631 |
478 | IPT | 0.8631 |
479 | 3A9 | 0.8630 |
480 | 46P | 0.8630 |
481 | TSS | 0.8629 |
482 | R20 | 0.8627 |
483 | 27L | 0.8626 |
484 | HHA | 0.8626 |
485 | 4A5 | 0.8626 |
486 | GRO | 0.8624 |
487 | 9BF | 0.8623 |
488 | 4XV | 0.8620 |
489 | AGK | 0.8620 |
490 | ICB | 0.8619 |
491 | NHG | 0.8618 |
492 | M1Q | 0.8618 |
493 | TSA | 0.8618 |
494 | GLU | 0.8617 |
495 | 86L | 0.8616 |
496 | E7Z | 0.8616 |
497 | M5H | 0.8616 |
498 | BZS | 0.8612 |
499 | OVV | 0.8612 |
500 | X09 | 0.8612 |
501 | J9T | 0.8610 |
502 | JB8 | 0.8610 |
503 | MUC | 0.8609 |
504 | S7B | 0.8609 |
505 | ARG | 0.8608 |
506 | DHB | 0.8608 |
507 | SAF | 0.8607 |
508 | KG1 | 0.8607 |
509 | KP6 | 0.8606 |
510 | YIO | 0.8606 |
511 | 2HU | 0.8604 |
512 | GDL | 0.8603 |
513 | PE0 | 0.8602 |
514 | 8XL | 0.8600 |
515 | 787 | 0.8598 |
516 | L14 | 0.8593 |
517 | INO | 0.8592 |
518 | 0W8 | 0.8589 |
519 | EA1 | 0.8588 |
520 | G2H | 0.8588 |
521 | XLS | 0.8587 |
522 | IPB | 0.8586 |
523 | PEY | 0.8586 |
524 | 2LP | 0.8584 |
525 | DIE | 0.8584 |
526 | J9W | 0.8581 |
527 | B2Y | 0.8581 |
528 | CHB | 0.8580 |
529 | XYL | 0.8577 |
530 | AQO | 0.8576 |
531 | TRP | 0.8576 |
532 | LDR | 0.8574 |
533 | HIS | 0.8574 |
534 | URQ | 0.8572 |
535 | KJM | 0.8566 |
536 | G4D | 0.8566 |
537 | CH9 | 0.8565 |
538 | D07 | 0.8565 |
539 | 1Z8 | 0.8560 |
540 | 53C | 0.8559 |
541 | 4Z4 | 0.8559 |
542 | M5K | 0.8558 |
543 | MEW | 0.8556 |
544 | 44V | 0.8555 |
545 | AJ2 | 0.8554 |
546 | 261 | 0.8554 |
547 | B55 | 0.8553 |
548 | LZM | 0.8552 |
549 | BCU | 0.8550 |
550 | 9R5 | 0.8543 |
551 | PLU | 0.8542 |
552 | 9FE | 0.8537 |
553 | 2FY | 0.8536 |
554 | 8TW | 0.8536 |
555 | EV0 | 0.8535 |
556 | GTZ | 0.8534 |
557 | AMH | 0.8529 |
558 | SR4 | 0.8522 |
559 | OGA | 0.8520 |
560 | GCW | 0.8514 |
561 | DS0 | 0.8512 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IMP | 0.9419 |
2 | AMP | 0.9397 |
3 | RVP | 0.9374 |
4 | G | 0.9355 |
5 | CNU | 0.9351 |
6 | 5HM | 0.9278 |
7 | 5GP | 0.9252 |
8 | DU | 0.9234 |
9 | U5P | 0.9211 |
10 | TMP | 0.9201 |
11 | 5FU | 0.9200 |
12 | 5BU | 0.9196 |
13 | U | 0.9194 |
14 | FMP | 0.9162 |
15 | 5HU | 0.9159 |
16 | TKW | 0.9155 |
17 | XMP | 0.9153 |
18 | UMP | 0.9150 |
19 | C | 0.9141 |
20 | C2R | 0.9140 |
21 | C5P | 0.9138 |
22 | SRA | 0.9132 |
23 | IMU | 0.9114 |
24 | 71V | 0.9111 |
25 | IRP | 0.9110 |
26 | UP6 | 0.9110 |
27 | UFP | 0.9107 |
28 | PFU | 0.9106 |
29 | AMZ | 0.9103 |
30 | G7M | 0.9103 |
31 | NYM | 0.9096 |
32 | NIA | 0.9094 |
33 | QBT | 0.9086 |
34 | DG | 0.9085 |
35 | MZP | 0.9079 |
36 | FDM | 0.9069 |
37 | 5IU | 0.9061 |
38 | D5M | 0.9052 |
39 | 9L3 | 0.9051 |
40 | BRU | 0.9049 |
41 | AS | 0.9036 |
42 | FNU | 0.9035 |
43 | DA | 0.9008 |
44 | DUS | 0.8994 |
45 | DGP | 0.8993 |
46 | PSU | 0.8984 |
47 | 8OP | 0.8974 |
48 | 6MA | 0.8968 |
49 | E8B | 0.8968 |
50 | DCM | 0.8961 |
51 | QIU | 0.8958 |
52 | H2U | 0.8953 |
53 | 16B | 0.8943 |
54 | CAR | 0.8941 |
55 | 6MZ | 0.8935 |
56 | 8OG | 0.8916 |
57 | 8GM | 0.8911 |
58 | BVP | 0.8907 |
59 | 8BR | 0.8900 |
60 | ZAS | 0.8897 |
61 | EFX | 0.8895 |
62 | A3N | 0.8893 |
63 | U4S | 0.8887 |
64 | 6CG | 0.8886 |
65 | T3S | 0.8869 |
66 | MLO | 0.8864 |
67 | FN5 | 0.8844 |
68 | N5O | 0.8840 |
69 | J7C | 0.8828 |
70 | FYK | 0.8826 |
71 | 6OG | 0.8819 |
72 | 6RE | 0.8810 |
73 | UMC | 0.8805 |
74 | ICR | 0.8801 |
75 | D4M | 0.8796 |
76 | 2DT | 0.8796 |
77 | DC | 0.8795 |
78 | AIR | 0.8790 |
79 | Z8B | 0.8784 |
80 | DDN | 0.8782 |
81 | 8EQ | 0.8772 |
82 | 5CM | 0.8762 |
83 | NEC | 0.8748 |
84 | BMP | 0.8735 |
85 | 7D5 | 0.8726 |
86 | 1BJ | 0.8724 |
87 | MTA | 0.8711 |
88 | DOC | 0.8711 |
89 | MTM | 0.8697 |
90 | 3F5 | 0.8693 |
91 | EU2 | 0.8688 |
92 | BMQ | 0.8685 |
93 | O7E | 0.8674 |
94 | ATM | 0.8654 |
95 | U3S | 0.8651 |
96 | U1S | 0.8644 |
97 | CZV | 0.8640 |
98 | K6B | 0.8635 |
99 | FGR | 0.8633 |
100 | LIT | 0.8632 |
101 | NUP | 0.8628 |
102 | SU1 | 0.8614 |
103 | IRN | 0.8613 |
104 | U2S | 0.8610 |
105 | 4ZK | 0.8594 |
106 | S5P | 0.8568 |
107 | MCF | 0.8552 |
108 | ADP | 0.8537 |
109 | 581 | 0.8533 |
This union binding pocket(no: 2) in the query (biounit: 1gro.bio1) has 47 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |