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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 1331 families. | |||||
1 | 4CO0 | Kd = 20 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 4CO4 | Kd = 2 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
3 | 4CO3 | Kd = 2 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
4 | 3MHY | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
5 | 4CO2 | Kd = 20 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
6 | 4CO1 | Kd = 20 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
7 | 4CNZ | Kd = 20 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
8 | 3TA0 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
9 | 3TA2 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
10 | 2GNK | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
11 | 3LF0 | Kd = 1.93 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
12 | 3NCQ | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
13 | 2J9C | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
14 | 2J9E | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
15 | 5L9N | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
16 | 2XBP | Kd = 9.6 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
17 | 2XZW | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
18 | 4AFF | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
19 | 2XUL | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4CO0 | Kd = 20 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 4CO4 | Kd = 2 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
3 | 4CO3 | Kd = 2 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
4 | 3MHY | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
5 | 4CO2 | Kd = 20 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
6 | 4CO1 | Kd = 20 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
7 | 4CNZ | Kd = 20 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
8 | 2O66 | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
9 | 2O67 | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
10 | 3TA1 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 3TA0 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
12 | 3TA2 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
13 | 2GNK | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
14 | 3LF0 | Kd = 1.93 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
15 | 3NCR | - | ADP MG | n/a | n/a |
16 | 3NCQ | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
17 | 4OZL | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
18 | 4OZJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
19 | 2J9C | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
20 | 2J9E | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
21 | 4USI | Kd = 38.9 uM | AKG | C5 H6 O5 | C(CC(=O)O).... |
22 | 5L9N | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
23 | 1V3S | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
24 | 1V9O | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
25 | 2XBP | Kd = 9.6 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
26 | 2XZW | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
27 | 4AFF | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
28 | 2XUL | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ATP | 1 | 1 |
2 | HEJ | 1 | 1 |
3 | AQP | 0.985507 | 1 |
4 | 5FA | 0.985507 | 1 |
5 | AP5 | 0.927536 | 0.971831 |
6 | B4P | 0.927536 | 0.971831 |
7 | BA3 | 0.913043 | 0.971831 |
8 | ADP | 0.9 | 1 |
9 | A2D | 0.884058 | 0.971831 |
10 | AGS | 0.84 | 0.945946 |
11 | 6YZ | 0.833333 | 0.972222 |
12 | AT4 | 0.810811 | 0.958904 |
13 | AN2 | 0.810811 | 0.985915 |
14 | 25L | 0.809524 | 0.985915 |
15 | APR | 0.802632 | 0.971831 |
16 | AR6 | 0.802632 | 0.971831 |
17 | M33 | 0.8 | 0.958333 |
18 | ACQ | 0.794872 | 0.972222 |
19 | TAT | 0.794872 | 0.958904 |
20 | T99 | 0.794872 | 0.958904 |
21 | AD9 | 0.792208 | 0.972222 |
22 | ACP | 0.789474 | 0.972222 |
23 | A | 0.788732 | 0.971429 |
24 | AMP | 0.788732 | 0.971429 |
25 | ANP | 0.772152 | 0.972222 |
26 | HQG | 0.756098 | 0.985915 |
27 | CA0 | 0.753247 | 0.945205 |
28 | ADX | 0.753247 | 0.873418 |
29 | A22 | 0.746988 | 0.985915 |
30 | 50T | 0.74359 | 0.958333 |
31 | KG4 | 0.74359 | 0.945205 |
32 | PRX | 0.734177 | 0.893333 |
33 | APC | 0.734177 | 0.958904 |
34 | ABM | 0.733333 | 0.917808 |
35 | 45A | 0.733333 | 0.917808 |
36 | ATF | 0.731707 | 0.958904 |
37 | 7D4 | 0.730769 | 0.905405 |
38 | ITT | 0.730769 | 0.943662 |
39 | AMP MG | 0.72973 | 0.929577 |
40 | ADQ | 0.729412 | 0.945205 |
41 | A3R | 0.729412 | 0.907895 |
42 | AP2 | 0.714286 | 0.958904 |
43 | A12 | 0.714286 | 0.958904 |
44 | A1R | 0.709302 | 0.907895 |
45 | SRA | 0.706667 | 0.918919 |
46 | JNT | 0.701149 | 0.945205 |
47 | 5AL | 0.698795 | 0.931507 |
48 | 8LE | 0.698795 | 0.894737 |
49 | ADP MG | 0.696203 | 0.943662 |
50 | ADP BEF | 0.696203 | 0.943662 |
51 | JSQ | 0.695122 | 0.945946 |
52 | HFD | 0.695122 | 0.945946 |
53 | 9X8 | 0.693182 | 0.92 |
54 | OAD | 0.693182 | 0.945205 |
55 | AU1 | 0.6875 | 0.972222 |
56 | APC MG | 0.682927 | 0.917808 |
57 | 8LH | 0.682353 | 0.906667 |
58 | SRP | 0.682353 | 0.906667 |
59 | G5P | 0.680851 | 0.921053 |
60 | 25A | 0.678161 | 0.971831 |
61 | OZV | 0.678161 | 0.971831 |
62 | 3OD | 0.677778 | 0.945205 |
63 | 4AD | 0.670455 | 0.92 |
64 | G3A | 0.670213 | 0.921053 |
65 | 8LQ | 0.666667 | 0.906667 |
66 | QA7 | 0.666667 | 0.894737 |
67 | 00A | 0.662921 | 0.883117 |
68 | ADP PO3 | 0.662651 | 0.943662 |
69 | RBY | 0.662651 | 0.932432 |
70 | ADV | 0.662651 | 0.932432 |
71 | ATP MG | 0.662651 | 0.943662 |
72 | BIS | 0.659341 | 0.933333 |
73 | 5SV | 0.659091 | 0.848101 |
74 | OOB | 0.659091 | 0.931507 |
75 | 8QN | 0.659091 | 0.931507 |
76 | GTA | 0.65625 | 0.886076 |
77 | KMQ | 0.655914 | 0.932432 |
78 | BEF ADP | 0.654762 | 0.917808 |
79 | UP5 | 0.653061 | 0.92 |
80 | AMO | 0.651685 | 0.932432 |
81 | PAJ | 0.651685 | 0.884615 |
82 | VO4 ADP | 0.651163 | 0.945205 |
83 | 2A5 | 0.650602 | 0.918919 |
84 | MAP | 0.647727 | 0.945946 |
85 | 3AT | 0.647059 | 0.971831 |
86 | AHX | 0.644444 | 0.896104 |
87 | DLL | 0.644444 | 0.931507 |
88 | ATR | 0.642857 | 0.971429 |
89 | PAP | 0.642857 | 0.985714 |
90 | PTJ | 0.641304 | 0.896104 |
91 | V2G | 0.639535 | 0.896104 |
92 | 7D3 | 0.6375 | 0.905405 |
93 | 3UK | 0.637363 | 0.918919 |
94 | SON | 0.634146 | 0.932432 |
95 | A4P | 0.633663 | 0.843373 |
96 | ANP MG | 0.632184 | 0.931507 |
97 | ALF ADP | 0.632184 | 0.87013 |
98 | LAD | 0.630435 | 0.860759 |
99 | PR8 | 0.630435 | 0.85 |
100 | B5V | 0.630435 | 0.906667 |
101 | WAQ | 0.630435 | 0.883117 |
102 | AFH | 0.628866 | 0.884615 |
103 | LMS | 0.628205 | 0.82716 |
104 | DTP | 0.627907 | 0.905405 |
105 | GAP | 0.627907 | 0.893333 |
106 | TXA | 0.623656 | 0.932432 |
107 | ME8 | 0.623656 | 0.839506 |
108 | NB8 | 0.623656 | 0.896104 |
109 | 1ZZ | 0.623656 | 0.839506 |
110 | FYA | 0.623656 | 0.905405 |
111 | DQV | 0.622449 | 0.958333 |
112 | T5A | 0.621359 | 0.841463 |
113 | XYA | 0.619718 | 0.84507 |
114 | RAB | 0.619718 | 0.84507 |
115 | ADN | 0.619718 | 0.84507 |
116 | DAL AMP | 0.611111 | 0.905405 |
117 | 9SN | 0.610526 | 0.871795 |
118 | 48N | 0.61 | 0.896104 |
119 | AP0 | 0.607843 | 0.896104 |
120 | 9ZD | 0.604396 | 0.907895 |
121 | 9ZA | 0.604396 | 0.907895 |
122 | B5M | 0.604167 | 0.894737 |
123 | B5Y | 0.604167 | 0.894737 |
124 | FA5 | 0.604167 | 0.906667 |
125 | NAX | 0.60396 | 0.873418 |
126 | DND | 0.60396 | 0.932432 |
127 | NAI | 0.60396 | 0.907895 |
128 | 6V0 | 0.60396 | 0.896104 |
129 | TXD | 0.60396 | 0.907895 |
130 | ADP BMA | 0.602151 | 0.918919 |
131 | A2R | 0.6 | 0.985915 |
132 | OMR | 0.598039 | 0.851852 |
133 | TXE | 0.598039 | 0.907895 |
134 | XAH | 0.597938 | 0.839506 |
135 | 7DT | 0.593023 | 0.985714 |
136 | AOC | 0.592593 | 0.821918 |
137 | L3W | 0.592233 | 0.932432 |
138 | 4UV | 0.591837 | 0.894737 |
139 | DDS | 0.590909 | 0.878378 |
140 | 139 | 0.590476 | 0.873418 |
141 | CNA | 0.584906 | 0.932432 |
142 | 6AD | 0.58427 | 0.909091 |
143 | 5AS | 0.583333 | 0.77907 |
144 | 5N5 | 0.581081 | 0.819444 |
145 | GA7 | 0.58 | 0.906667 |
146 | 4UU | 0.58 | 0.894737 |
147 | 4TC | 0.576923 | 0.896104 |
148 | ADJ | 0.575472 | 0.851852 |
149 | 5CD | 0.573333 | 0.805556 |
150 | A4D | 0.573333 | 0.819444 |
151 | RGT | 0.571429 | 0.958904 |
152 | A3P | 0.571429 | 0.971429 |
153 | 7D5 | 0.56962 | 0.878378 |
154 | LAQ | 0.568627 | 0.839506 |
155 | NO7 | 0.565217 | 0.932432 |
156 | F2R | 0.564815 | 0.864198 |
157 | 80F | 0.563636 | 0.841463 |
158 | CUU | 0.563218 | 0.971831 |
159 | YLP | 0.563107 | 0.819277 |
160 | UPA | 0.561905 | 0.907895 |
161 | AV2 | 0.56044 | 0.917808 |
162 | COD | 0.559633 | 0.811765 |
163 | 4UW | 0.557692 | 0.860759 |
164 | JB6 | 0.556701 | 0.883117 |
165 | 3AM | 0.555556 | 0.929577 |
166 | ATP A | 0.555556 | 0.930556 |
167 | ATP A A A | 0.555556 | 0.930556 |
168 | A2P | 0.552941 | 0.957143 |
169 | TYM | 0.552381 | 0.906667 |
170 | NA7 | 0.552083 | 0.958904 |
171 | EP4 | 0.551282 | 0.753247 |
172 | MYR AMP | 0.55102 | 0.817073 |
173 | PPS | 0.549451 | 0.873418 |
174 | YLB | 0.54717 | 0.819277 |
175 | YLC | 0.54717 | 0.839506 |
176 | DAT | 0.545455 | 0.905405 |
177 | NAD | 0.545455 | 0.931507 |
178 | H1Q | 0.545455 | 0.90411 |
179 | G5A | 0.544444 | 0.77907 |
180 | DTA | 0.544304 | 0.786667 |
181 | M2T | 0.544304 | 0.734177 |
182 | 3DH | 0.54321 | 0.773333 |
183 | 128 | 0.542857 | 0.776471 |
184 | AHZ | 0.538462 | 0.817073 |
185 | SSA | 0.537634 | 0.8 |
186 | GTP | 0.537634 | 0.92 |
187 | MTA | 0.5375 | 0.773333 |
188 | IOT | 0.537037 | 0.831325 |
189 | A3D | 0.535714 | 0.918919 |
190 | AR6 AR6 | 0.533981 | 0.917808 |
191 | ARG AMP | 0.533981 | 0.829268 |
192 | 7MD | 0.533981 | 0.8625 |
193 | YLA | 0.53211 | 0.819277 |
194 | IMO | 0.529412 | 0.929577 |
195 | AMP DBH | 0.529412 | 0.893333 |
196 | TAD | 0.528846 | 0.884615 |
197 | AYB | 0.527273 | 0.809524 |
198 | HDV | 0.526882 | 0.893333 |
199 | A5A | 0.526882 | 0.807229 |
200 | TSB | 0.526316 | 0.819277 |
201 | EAD | 0.525424 | 0.873418 |
202 | 2AM | 0.52439 | 0.943662 |
203 | 6RE | 0.52381 | 0.759494 |
204 | 6MZ | 0.523256 | 0.930556 |
205 | 7DD | 0.522727 | 0.985714 |
206 | CZF | 0.521739 | 0.931507 |
207 | V3L | 0.521739 | 0.971831 |
208 | AVV | 0.520833 | 0.896104 |
209 | BTX | 0.517857 | 0.841463 |
210 | NAE | 0.517241 | 0.894737 |
211 | QBQ | 0.516129 | 0.906667 |
212 | 52H | 0.515789 | 0.77907 |
213 | VMS | 0.515789 | 0.788235 |
214 | 54H | 0.515789 | 0.788235 |
215 | NSS | 0.515464 | 0.8 |
216 | BT5 | 0.513274 | 0.831325 |
217 | NAQ | 0.512821 | 0.871795 |
218 | ZAS | 0.511905 | 0.766234 |
219 | A3N | 0.511628 | 0.786667 |
220 | J7C | 0.511628 | 0.769231 |
221 | 5X8 | 0.511111 | 0.763158 |
222 | 5CA | 0.510417 | 0.8 |
223 | 53H | 0.510417 | 0.77907 |
224 | 8X1 | 0.510417 | 0.752809 |
225 | NVA LMS | 0.510204 | 0.752809 |
226 | ARU | 0.510204 | 0.860759 |
227 | ALF ADP 3PG | 0.509259 | 0.8375 |
228 | AF3 ADP 3PG | 0.509259 | 0.8375 |
229 | 38V | 0.508475 | 0.886076 |
230 | ZID | 0.508475 | 0.918919 |
231 | P1H | 0.508197 | 0.851852 |
232 | OVE | 0.505882 | 0.905405 |
233 | S4M | 0.505747 | 0.666667 |
234 | LEU LMS | 0.50505 | 0.730337 |
235 | LPA AMP | 0.504673 | 0.817073 |
236 | NAD TDB | 0.504587 | 0.917808 |
237 | 7MC | 0.504587 | 0.841463 |
238 | NAD IBO | 0.504587 | 0.917808 |
239 | D4F | 0.504274 | 0.839506 |
240 | P5A | 0.5 | 0.744444 |
241 | DZD | 0.5 | 0.884615 |
242 | DSZ | 0.5 | 0.8 |
243 | MAO | 0.5 | 0.759036 |
244 | DSH | 0.5 | 0.725 |
245 | LSS | 0.5 | 0.761364 |
246 | FB0 | 0.5 | 0.804598 |
247 | NDE | 0.495935 | 0.932432 |
248 | N0B | 0.495798 | 0.819277 |
249 | M24 | 0.495726 | 0.85 |
250 | YLY | 0.495726 | 0.809524 |
251 | NJP | 0.495575 | 0.945946 |
252 | 9K8 | 0.49505 | 0.714286 |
253 | MGP | 0.494737 | 0.884615 |
254 | 6C6 | 0.494624 | 0.881579 |
255 | O02 | 0.494624 | 0.921053 |
256 | NWW | 0.493671 | 0.760563 |
257 | NAJ PZO | 0.491379 | 0.848101 |
258 | 0WD | 0.491228 | 0.921053 |
259 | 6G0 | 0.489583 | 0.884615 |
260 | GJV | 0.488636 | 0.75 |
261 | 6FA | 0.488189 | 0.841463 |
262 | 5AD | 0.486842 | 0.746479 |
263 | KAA | 0.485149 | 0.752809 |
264 | GSU | 0.485149 | 0.77907 |
265 | 71V | 0.483146 | 0.907895 |
266 | NEC | 0.482759 | 0.746667 |
267 | A3G | 0.482759 | 0.8 |
268 | ODP | 0.482456 | 0.909091 |
269 | K3K | 0.480769 | 0.802632 |
270 | FAS | 0.48062 | 0.851852 |
271 | FAD | 0.48062 | 0.851852 |
272 | 7D7 | 0.480519 | 0.743243 |
273 | FDA | 0.480315 | 0.833333 |
274 | N6P | 0.48 | 0.915493 |
275 | 2SA | 0.479167 | 0.932432 |
276 | GP3 | 0.478723 | 0.921053 |
277 | AMP NAD | 0.478261 | 0.905405 |
278 | SFG | 0.478261 | 0.75 |
279 | 4TA | 0.478261 | 0.807229 |
280 | NDP | 0.477876 | 0.921053 |
281 | NPW | 0.477876 | 0.886076 |
282 | LQJ | 0.47619 | 0.917808 |
283 | NDC | 0.47619 | 0.871795 |
284 | YSA | 0.47619 | 0.77907 |
285 | NAJ PYZ | 0.475 | 0.807229 |
286 | MGO | 0.474227 | 0.860759 |
287 | NZQ | 0.473684 | 0.909091 |
288 | TXP | 0.473684 | 0.921053 |
289 | 6IA | 0.473684 | 0.8375 |
290 | GDP | 0.473684 | 0.92 |
291 | A7D | 0.472527 | 0.776316 |
292 | J4G | 0.470588 | 0.92 |
293 | SFD | 0.469231 | 0.734043 |
294 | SA8 | 0.468085 | 0.707317 |
295 | A5D | 0.468085 | 0.786667 |
296 | ZDA | 0.468085 | 0.864865 |
297 | 12D | 0.46789 | 0.785714 |
298 | PGS | 0.467391 | 0.883117 |
299 | MHZ | 0.467391 | 0.697674 |
300 | 8PZ | 0.466667 | 0.8 |
301 | 62F | 0.466165 | 0.8625 |
302 | D5M | 0.465909 | 0.878378 |
303 | DA | 0.465909 | 0.878378 |
304 | GGZ | 0.464646 | 0.825 |
305 | SAH | 0.463158 | 0.74359 |
306 | SAI | 0.463158 | 0.734177 |
307 | FAY | 0.462687 | 0.8625 |
308 | Y3J | 0.4625 | 0.726027 |
309 | B1U | 0.462264 | 0.736264 |
310 | PO4 PO4 A A A A PO4 | 0.460784 | 0.902778 |
311 | AAM | 0.460674 | 0.971429 |
312 | RFL | 0.459259 | 0.821429 |
313 | SMM | 0.459184 | 0.686047 |
314 | HF7 | 0.459184 | 0.893333 |
315 | C2R | 0.458824 | 0.90411 |
316 | AMZ | 0.458824 | 0.916667 |
317 | SAM | 0.458333 | 0.690476 |
318 | K3E | 0.457944 | 0.792208 |
319 | A3S | 0.456522 | 0.810811 |
320 | FNK | 0.455224 | 0.804598 |
321 | 7C5 | 0.453704 | 0.818182 |
322 | AAT | 0.453608 | 0.707317 |
323 | EEM | 0.453608 | 0.690476 |
324 | NWQ | 0.453488 | 0.739726 |
325 | XNP | 0.452991 | 0.873418 |
326 | PRT | 0.45283 | 0.931507 |
327 | K2R | 0.451923 | 0.88 |
328 | AIR | 0.451219 | 0.901408 |
329 | 62X | 0.45098 | 0.666667 |
330 | KOY | 0.45045 | 0.802632 |
331 | GSP | 0.45 | 0.873418 |
332 | ETB | 0.45 | 0.833333 |
333 | DCA | 0.45 | 0.823529 |
334 | N5O | 0.449438 | 0.763158 |
335 | NIA | 0.448276 | 0.822785 |
336 | A3T | 0.446809 | 0.821918 |
337 | K15 | 0.446602 | 0.682353 |
338 | PUA | 0.446281 | 0.884615 |
339 | QXP | 0.445545 | 0.785714 |
340 | 6K6 | 0.445545 | 0.930556 |
341 | GEK | 0.445545 | 0.7375 |
342 | 4YB | 0.445455 | 0.761364 |
343 | V47 | 0.444444 | 0.783784 |
344 | S7M | 0.444444 | 0.690476 |
345 | DG1 | 0.443548 | 0.921053 |
346 | 1DG | 0.443548 | 0.921053 |
347 | Z5A | 0.443548 | 0.77907 |
348 | COA | 0.442623 | 0.823529 |
349 | 0T1 | 0.442623 | 0.823529 |
350 | WSA | 0.442478 | 0.788235 |
351 | 8BR | 0.43956 | 0.906667 |
352 | N5A | 0.43956 | 0.736842 |
353 | DZ4 | 0.438776 | 0.881579 |
354 | 8Q2 | 0.438596 | 0.772727 |
355 | 101 | 0.438202 | 0.878378 |
356 | IDP | 0.4375 | 0.918919 |
357 | NVA 2AD | 0.4375 | 0.759494 |
358 | 9JJ | 0.435714 | 0.8625 |
359 | KY2 | 0.435644 | 0.731707 |
360 | NAP | 0.435484 | 0.945205 |
361 | K2W | 0.435185 | 0.740741 |
362 | APU | 0.434783 | 0.894737 |
363 | 7RP | 0.433333 | 0.928571 |
364 | QXG | 0.432692 | 0.776471 |
365 | A6D | 0.432692 | 0.722892 |
366 | TAP | 0.432 | 0.907895 |
367 | AMX | 0.432 | 0.833333 |
368 | COS | 0.432 | 0.804598 |
369 | CAO | 0.432 | 0.795455 |
370 | J7V | 0.432 | 0.833333 |
371 | 30N | 0.432 | 0.752688 |
372 | V1N | 0.431193 | 0.917808 |
373 | KL2 | 0.430233 | 0.837838 |
374 | K38 | 0.429907 | 0.779221 |
375 | 649 | 0.429825 | 0.744444 |
376 | P5F | 0.429577 | 0.823529 |
377 | NA0 | 0.428571 | 0.932432 |
378 | 7RA | 0.428571 | 0.957747 |
379 | SCO | 0.428571 | 0.823529 |
380 | R2V | 0.428571 | 0.785714 |
381 | CMX | 0.428571 | 0.823529 |
382 | 0UM | 0.427184 | 0.698795 |
383 | KYB | 0.427184 | 0.731707 |
384 | GAV | 0.427184 | 0.884615 |
385 | 1RB | 0.426966 | 0.885714 |
386 | QQY | 0.426966 | 0.815789 |
387 | ACK | 0.426966 | 0.861111 |
388 | GCP | 0.425743 | 0.896104 |
389 | G1R | 0.425743 | 0.907895 |
390 | ACO | 0.425197 | 0.795455 |
391 | FCX | 0.425197 | 0.795455 |
392 | FAM | 0.425197 | 0.804598 |
393 | OZP | 0.424779 | 0.728395 |
394 | O05 | 0.424528 | 0.843373 |
395 | GNH | 0.424242 | 0.907895 |
396 | F2N | 0.423611 | 0.813953 |
397 | K2H | 0.423077 | 0.75641 |
398 | GKE | 0.422018 | 0.884615 |
399 | GDC | 0.422018 | 0.884615 |
400 | K3H | 0.422018 | 0.75 |
401 | GDD | 0.422018 | 0.884615 |
402 | KYE | 0.422018 | 0.714286 |
403 | HAX | 0.421875 | 0.804598 |
404 | 3AD | 0.421687 | 0.805556 |
405 | 9GM | 0.421569 | 0.896104 |
406 | GNP | 0.421569 | 0.896104 |
407 | FA9 | 0.42069 | 0.864198 |
408 | TM1 | 0.420561 | 0.77381 |
409 | KY5 | 0.420561 | 0.725 |
410 | KB1 | 0.420561 | 0.698795 |
411 | 9BG | 0.420168 | 0.896104 |
412 | H6Y | 0.42 | 0.945205 |
413 | 2MC | 0.419847 | 0.769231 |
414 | KXW | 0.419643 | 0.707317 |
415 | FYN | 0.418605 | 0.823529 |
416 | 3KK | 0.418605 | 0.804598 |
417 | S8M | 0.417476 | 0.759494 |
418 | 7L1 | 0.417323 | 0.795455 |
419 | 26A | 0.416667 | 0.763158 |
420 | 2VA | 0.416667 | 0.8 |
421 | NHD | 0.416667 | 0.905405 |
422 | HZ2 | 0.415929 | 0.731707 |
423 | QQX | 0.41573 | 0.805195 |
424 | CA6 | 0.415385 | 0.729167 |
425 | OXK | 0.415385 | 0.804598 |
426 | MCD | 0.415385 | 0.804598 |
427 | SOP | 0.415385 | 0.804598 |
428 | COK | 0.415385 | 0.804598 |
429 | YZS | 0.415385 | 0.729167 |
430 | KGP | 0.415385 | 0.729167 |
431 | KY8 | 0.415094 | 0.728395 |
432 | K2K | 0.415094 | 0.7375 |
433 | FAJ | 0.414966 | 0.831325 |
434 | NX8 | 0.414141 | 0.716049 |
435 | Q34 | 0.413793 | 0.674419 |
436 | YE1 | 0.413534 | 0.813953 |
437 | RMB | 0.413043 | 0.873239 |
438 | FAI | 0.413043 | 0.916667 |
439 | AS | 0.413043 | 0.833333 |
440 | CO6 | 0.412214 | 0.804598 |
441 | 1VU | 0.412214 | 0.795455 |
442 | NMX | 0.412214 | 0.76087 |
443 | CMC | 0.412214 | 0.804598 |
444 | SXZ | 0.411215 | 0.710843 |
445 | ANZ | 0.410714 | 0.8 |
446 | SCA | 0.410448 | 0.804598 |
447 | SCD | 0.409091 | 0.823529 |
448 | CAJ | 0.409091 | 0.804598 |
449 | NAD BBN | 0.408759 | 0.841463 |
450 | HY8 | 0.408696 | 0.731707 |
451 | EO7 | 0.408602 | 0.788235 |
452 | D3Y | 0.407767 | 0.789474 |
453 | CC5 | 0.407407 | 0.816901 |
454 | KGA | 0.407407 | 0.744681 |
455 | KH3 | 0.40708 | 0.674419 |
456 | PLP AAD | 0.406504 | 0.733333 |
457 | SLU | 0.406504 | 0.770115 |
458 | G | 0.40625 | 0.906667 |
459 | 5GP | 0.40625 | 0.906667 |
460 | MLC | 0.406015 | 0.804598 |
461 | KGJ | 0.406015 | 0.752688 |
462 | 1HE | 0.406015 | 0.786517 |
463 | 3HC | 0.406015 | 0.813953 |
464 | A1S | 0.406015 | 0.804598 |
465 | IVC | 0.406015 | 0.813953 |
466 | BCO | 0.406015 | 0.804598 |
467 | GTG | 0.405405 | 0.886076 |
468 | NMN AMP PO4 | 0.404959 | 0.87013 |
469 | Q2P | 0.404959 | 0.674419 |
470 | 3D1 | 0.404762 | 0.773333 |
471 | 3L1 | 0.404762 | 0.773333 |
472 | 2BA | 0.404255 | 0.915493 |
473 | CMP | 0.404255 | 0.901408 |
474 | VRT | 0.40404 | 0.769231 |
475 | SO8 | 0.40404 | 0.789474 |
476 | MCA | 0.402985 | 0.795455 |
477 | COO | 0.402985 | 0.804598 |
478 | CAA | 0.402985 | 0.813953 |
479 | SO5 | 0.402985 | 0.721649 |
480 | LCV | 0.402985 | 0.721649 |
481 | NAD CJ3 | 0.402878 | 0.811765 |
482 | 3NZ | 0.401869 | 0.782051 |
483 | G2R | 0.401869 | 0.884615 |
484 | YXS | 0.4 | 0.729167 |
485 | 2CP | 0.4 | 0.795455 |
486 | 2FA | 0.4 | 0.813333 |
487 | YXR | 0.4 | 0.729167 |
488 | ZZB | 0.4 | 0.77381 |
489 | MC4 | 0.4 | 0.76087 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FLC | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADP AF3 | 0.9964 |
2 | ADP ALF | 0.9801 |
3 | ADP VO4 | 0.9704 |
4 | BEF GDP | 0.9696 |
5 | GDP ALF | 0.9646 |
6 | GDP AF3 | 0.9633 |
7 | GDP BEF | 0.9621 |
8 | ALF GDP | 0.9621 |
9 | DBG | 0.9581 |
10 | CTP | 0.9340 |
11 | UTP | 0.9337 |
12 | GDP MG | 0.9246 |
13 | DGT | 0.9177 |
14 | DCP | 0.9141 |
15 | DCP MG | 0.9114 |
16 | 8DG | 0.9051 |
17 | MGT | 0.9049 |
18 | 6U4 | 0.8990 |
19 | 2KH | 0.8972 |
20 | MSP | 0.8951 |
21 | TTP | 0.8917 |
22 | MOD | 0.8909 |
23 | 8GT | 0.8879 |
24 | G2P | 0.8852 |
25 | DGI | 0.8847 |
26 | 2TM | 0.8819 |
27 | L3U | 0.8814 |
28 | M7G | 0.8804 |
29 | GP2 | 0.8802 |
30 | DUT | 0.8788 |
31 | UNP | 0.8786 |
32 | Y9Z | 0.8773 |
33 | F6G | 0.8769 |
34 | DUP | 0.8755 |
35 | GH3 | 0.8730 |
36 | D3T | 0.8684 |
37 | 0RC | 0.8650 |
38 | BUP | 0.8621 |
39 | DUT MG | 0.8599 |
40 | UDP | 0.8570 |
41 | TYR AMP | 0.8561 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CIT | 1.0000 |
2 | AKG | 1.0000 |
3 | PAF | 1.0000 |
4 | 2IT | 1.0000 |
5 | NTC | 0.9905 |
6 | 7A3 | 0.9740 |
7 | 7A2 | 0.9685 |
8 | TRC | 0.9655 |
9 | TRA | 0.9628 |
10 | GLY ASP | 0.9594 |
11 | 1AL | 0.9566 |
12 | NCD | 0.9546 |
13 | ICT | 0.9527 |
14 | NFQ | 0.9417 |
15 | ATH | 0.9415 |
16 | P4B | 0.9381 |
17 | HCA | 0.9379 |
18 | DMO | 0.9370 |
19 | GLY LEU | 0.9344 |
20 | PDC | 0.9334 |
21 | NTM | 0.9327 |
22 | CCB | 0.9325 |
23 | MAH | 0.9316 |
24 | AN0 | 0.9310 |
25 | GBN | 0.9307 |
26 | OTD | 0.9303 |
27 | 3S4 | 0.9296 |
28 | EKN | 0.9290 |
29 | QM1 | 0.9270 |
30 | 7QD | 0.9258 |
31 | XQB | 0.9257 |
32 | CAX | 0.9256 |
33 | ORO | 0.9250 |
34 | ENL | 0.9245 |
35 | QIC | 0.9244 |
36 | AOR | 0.9239 |
37 | 2CG | 0.9239 |
38 | 0FA | 0.9237 |
39 | 4TE | 0.9233 |
40 | 5XB | 0.9229 |
41 | V6F | 0.9203 |
42 | PHT | 0.9198 |
43 | NLG | 0.9192 |
44 | DOR | 0.9192 |
45 | IPM | 0.9191 |
46 | 5UK | 0.9190 |
47 | NQM | 0.9189 |
48 | 8WQ | 0.9188 |
49 | OIA | 0.9185 |
50 | 87L | 0.9178 |
51 | HCT | 0.9176 |
52 | MIC | 0.9174 |
53 | NLQ | 0.9174 |
54 | GJS | 0.9170 |
55 | 0GY | 0.9165 |
56 | GM7 | 0.9163 |
57 | KLW | 0.9163 |
58 | 5XR | 0.9158 |
59 | R1P | 0.9157 |
60 | LSA | 0.9155 |
61 | VPR | 0.9151 |
62 | ALA LEU | 0.9150 |
63 | JKZ | 0.9150 |
64 | AVI | 0.9149 |
65 | OMD | 0.9147 |
66 | KTA | 0.9144 |
67 | AVO | 0.9143 |
68 | 40F | 0.9140 |
69 | 4WK | 0.9136 |
70 | HMQ | 0.9135 |
71 | 6XI | 0.9130 |
72 | KAI | 0.9125 |
73 | GLY PRO | 0.9121 |
74 | FOT | 0.9120 |
75 | 8VN | 0.9119 |
76 | 256 | 0.9118 |
77 | PCV | 0.9113 |
78 | 2D3 | 0.9112 |
79 | OXC | 0.9112 |
80 | TEN | 0.9110 |
81 | QAS | 0.9110 |
82 | OAF | 0.9108 |
83 | HJ7 | 0.9108 |
84 | 2AL | 0.9106 |
85 | YQA | 0.9103 |
86 | SIF | 0.9103 |
87 | NIG | 0.9098 |
88 | GZ8 | 0.9098 |
89 | J01 | 0.9095 |
90 | 0F9 | 0.9094 |
91 | CDT | 0.9091 |
92 | AIN | 0.9085 |
93 | PD2 | 0.9084 |
94 | D1X | 0.9083 |
95 | 5HY | 0.9082 |
96 | 8G0 | 0.9081 |
97 | 791 | 0.9080 |
98 | 7NI | 0.9078 |
99 | DII | 0.9074 |
100 | PFL | 0.9069 |
101 | HNQ | 0.9068 |
102 | G88 | 0.9067 |
103 | QAT | 0.9063 |
104 | MEV | 0.9059 |
105 | 42C | 0.9058 |
106 | F69 | 0.9054 |
107 | FA3 | 0.9053 |
108 | XQK | 0.9052 |
109 | ONR | 0.9051 |
110 | TSA | 0.9050 |
111 | DQA | 0.9046 |
112 | GNL | 0.9043 |
113 | NSG | 0.9043 |
114 | 4ME | 0.9042 |
115 | DNC | 0.9040 |
116 | FRU | 0.9039 |
117 | GTR | 0.9037 |
118 | IJZ | 0.9037 |
119 | OVM | 0.9036 |
120 | AVJ | 0.9036 |
121 | HJP | 0.9036 |
122 | K2P | 0.9033 |
123 | GTC | 0.9032 |
124 | 6NT | 0.9032 |
125 | CDV | 0.9031 |
126 | AW5 | 0.9031 |
127 | GV9 | 0.9025 |
128 | 5FN | 0.9024 |
129 | BRR | 0.9023 |
130 | AKH | 0.9023 |
131 | L14 | 0.9022 |
132 | AH8 | 0.9021 |
133 | LT8 | 0.9020 |
134 | 3NY | 0.9019 |
135 | QPR | 0.9019 |
136 | DNF | 0.9017 |
137 | AQK | 0.9015 |
138 | AME | 0.9014 |
139 | OW4 | 0.9014 |
140 | SKM | 0.9013 |
141 | HQ9 | 0.9013 |
142 | PRZ | 0.9010 |
143 | O2A | 0.9010 |
144 | 0JD | 0.9010 |
145 | 6R8 | 0.9010 |
146 | 2BX | 0.9007 |
147 | SXS | 0.9007 |
148 | ALA PRO | 0.9005 |
149 | 5CU | 0.9004 |
150 | 3AL | 0.9004 |
151 | SF9 | 0.9002 |
152 | Q6T | 0.9001 |
153 | UNC | 0.9000 |
154 | 4RW | 0.8993 |
155 | FX1 | 0.8992 |
156 | KJU | 0.8989 |
157 | S2T | 0.8988 |
158 | 7ZE | 0.8987 |
159 | R9S | 0.8986 |
160 | 34D | 0.8984 |
161 | SER THR | 0.8981 |
162 | 3PO | 0.8981 |
163 | X1E | 0.8980 |
164 | SOE | 0.8979 |
165 | F12 | 0.8976 |
166 | 2ZM | 0.8975 |
167 | DHK | 0.8974 |
168 | ADA | 0.8973 |
169 | JAW | 0.8972 |
170 | 0HO | 0.8972 |
171 | 5NI | 0.8969 |
172 | GDE | 0.8967 |
173 | 1F1 | 0.8967 |
174 | 0LH | 0.8966 |
175 | 7WR | 0.8966 |
176 | 0HN | 0.8966 |
177 | 41K | 0.8966 |
178 | N8P | 0.8963 |
179 | 9PY | 0.8963 |
180 | GAL | 0.8962 |
181 | EPR | 0.8962 |
182 | 329 | 0.8962 |
183 | C5A | 0.8960 |
184 | 8GL | 0.8957 |
185 | Z5P | 0.8955 |
186 | GXL | 0.8954 |
187 | 9FL | 0.8953 |
188 | 2FT | 0.8949 |
189 | SF6 | 0.8949 |
190 | FBG | 0.8949 |
191 | IPZ | 0.8947 |
192 | KJM | 0.8946 |
193 | DOB | 0.8946 |
194 | DIG | 0.8945 |
195 | DG2 | 0.8943 |
196 | 8XQ | 0.8942 |
197 | FA0 | 0.8941 |
198 | W81 | 0.8940 |
199 | GLO | 0.8939 |
200 | 1PL | 0.8939 |
201 | ODO | 0.8939 |
202 | 6NI | 0.8939 |
203 | 2FG | 0.8936 |
204 | HZQ | 0.8936 |
205 | 1CO | 0.8935 |
206 | 293 | 0.8934 |
207 | VNL | 0.8934 |
208 | 3MF | 0.8932 |
209 | FA6 | 0.8931 |
210 | PRE | 0.8928 |
211 | 495 | 0.8928 |
212 | KDF | 0.8928 |
213 | PQK | 0.8927 |
214 | 9KH | 0.8927 |
215 | 9SE | 0.8927 |
216 | SSC | 0.8926 |
217 | BHA | 0.8925 |
218 | PNZ | 0.8924 |
219 | URC | 0.8923 |
220 | RAT | 0.8921 |
221 | HLZ | 0.8921 |
222 | 5WY | 0.8920 |
223 | OEM | 0.8920 |
224 | 091 | 0.8919 |
225 | M75 | 0.8918 |
226 | OW7 | 0.8918 |
227 | 5ZZ | 0.8917 |
228 | 2ZQ | 0.8917 |
229 | 12B | 0.8916 |
230 | BDF | 0.8916 |
231 | LFR | 0.8916 |
232 | 2HU | 0.8913 |
233 | NGO | 0.8913 |
234 | T2D | 0.8913 |
235 | 5OB | 0.8913 |
236 | MT0 | 0.8912 |
237 | 3IT | 0.8911 |
238 | HA5 | 0.8911 |
239 | X09 | 0.8911 |
240 | GIV | 0.8910 |
241 | IPB | 0.8910 |
242 | HHT | 0.8908 |
243 | REL | 0.8906 |
244 | ICO | 0.8906 |
245 | 3A9 | 0.8905 |
246 | RSM | 0.8905 |
247 | PSV | 0.8903 |
248 | NGT | 0.8903 |
249 | HLD | 0.8903 |
250 | 6CS | 0.8902 |
251 | 60Q | 0.8900 |
252 | ZZ8 | 0.8900 |
253 | SR4 | 0.8899 |
254 | 4M0 | 0.8899 |
255 | JDN | 0.8899 |
256 | 0GZ | 0.8898 |
257 | CBF | 0.8896 |
258 | IAC | 0.8895 |
259 | 5GU | 0.8895 |
260 | JB8 | 0.8894 |
261 | GLG | 0.8893 |
262 | ASC | 0.8893 |
263 | HDL | 0.8892 |
264 | TSR | 0.8892 |
265 | 3MB | 0.8891 |
266 | ABI | 0.8890 |
267 | N7P | 0.8890 |
268 | PEZ | 0.8889 |
269 | 40H | 0.8888 |
270 | 2MN | 0.8887 |
271 | BZ3 | 0.8887 |
272 | B09 | 0.8885 |
273 | ANN | 0.8885 |
274 | RNS | 0.8884 |
275 | TSS | 0.8884 |
276 | 1U1 | 0.8883 |
277 | M44 | 0.8882 |
278 | C2U | 0.8882 |
279 | 8WO | 0.8881 |
280 | B0D | 0.8879 |
281 | 6LW | 0.8877 |
282 | RNT | 0.8876 |
283 | J9Q | 0.8874 |
284 | KDG | 0.8873 |
285 | SC2 | 0.8873 |
286 | 6JN | 0.8873 |
287 | GLA | 0.8873 |
288 | DBX | 0.8873 |
289 | APG | 0.8872 |
290 | 4P0 | 0.8869 |
291 | 4A5 | 0.8869 |
292 | LAO | 0.8868 |
293 | 2ED | 0.8867 |
294 | 97T | 0.8867 |
295 | 9DG | 0.8867 |
296 | 8GK | 0.8866 |
297 | TVP | 0.8865 |
298 | XSP | 0.8865 |
299 | 2PG | 0.8865 |
300 | APZ | 0.8863 |
301 | KYA | 0.8862 |
302 | GCU | 0.8862 |
303 | 0OC | 0.8862 |
304 | FF3 | 0.8861 |
305 | CN0 | 0.8860 |
306 | 15N | 0.8860 |
307 | IT9 | 0.8859 |
308 | X8Z | 0.8857 |
309 | OHP | 0.8855 |
310 | SER PRO | 0.8855 |
311 | TEP | 0.8854 |
312 | S76 | 0.8854 |
313 | MTL | 0.8854 |
314 | GCO | 0.8853 |
315 | 149 | 0.8852 |
316 | FHN | 0.8851 |
317 | 3OC | 0.8850 |
318 | YIO | 0.8849 |
319 | 5RN | 0.8849 |
320 | XYH | 0.8849 |
321 | TIU | 0.8849 |
322 | AMH | 0.8849 |
323 | EMZ | 0.8848 |
324 | RXA | 0.8848 |
325 | BDP | 0.8848 |
326 | E5X | 0.8847 |
327 | Q7A | 0.8847 |
328 | FUD | 0.8845 |
329 | AI2 | 0.8844 |
330 | 2TQ | 0.8844 |
331 | 290 | 0.8844 |
332 | IFG | 0.8843 |
333 | PSJ | 0.8843 |
334 | 1GN | 0.8842 |
335 | A13 | 0.8842 |
336 | 141 | 0.8841 |
337 | FIX | 0.8840 |
338 | MQB | 0.8840 |
339 | 7D2 | 0.8839 |
340 | NGW | 0.8839 |
341 | 210 | 0.8839 |
342 | 2H5 | 0.8838 |
343 | 3DM | 0.8838 |
344 | 3HG | 0.8837 |
345 | 5XC | 0.8837 |
346 | RD4 | 0.8836 |
347 | DA4 | 0.8836 |
348 | KMH | 0.8835 |
349 | EV0 | 0.8835 |
350 | 2F6 | 0.8835 |
351 | ET2 | 0.8833 |
352 | PPK | 0.8833 |
353 | CWJ | 0.8832 |
354 | NVU | 0.8832 |
355 | OVV | 0.8829 |
356 | NAG | 0.8829 |
357 | 0CG | 0.8829 |
358 | M0Q | 0.8828 |
359 | 12T | 0.8826 |
360 | GAF | 0.8826 |
361 | QSH | 0.8826 |
362 | MLE | 0.8825 |
363 | CFP | 0.8824 |
364 | TAG | 0.8824 |
365 | GLY MET | 0.8823 |
366 | AHB | 0.8823 |
367 | PX7 | 0.8823 |
368 | SDD | 0.8822 |
369 | TAR | 0.8822 |
370 | ES0 | 0.8822 |
371 | 15L | 0.8821 |
372 | GCB | 0.8820 |
373 | DX4 | 0.8820 |
374 | 4WL | 0.8820 |
375 | ISD | 0.8819 |
376 | Q71 | 0.8819 |
377 | BZ2 | 0.8818 |
378 | AZA | 0.8818 |
379 | 8VE | 0.8818 |
380 | X1R | 0.8818 |
381 | MBG | 0.8817 |
382 | 39U | 0.8816 |
383 | D07 | 0.8816 |
384 | AZG | 0.8816 |
385 | F31 | 0.8816 |
386 | SOL | 0.8816 |
387 | MS9 | 0.8816 |
388 | 2FY | 0.8815 |
389 | X6X | 0.8814 |
390 | 4AA | 0.8814 |
391 | MUC | 0.8814 |
392 | 7UC | 0.8814 |
393 | M2K | 0.8813 |
394 | MB1 | 0.8813 |
395 | 1U5 | 0.8813 |
396 | MMA | 0.8813 |
397 | LPK | 0.8812 |
398 | NZ2 | 0.8812 |
399 | XAN | 0.8811 |
400 | BMA | 0.8810 |
401 | 9CA | 0.8809 |
402 | NGA | 0.8809 |
403 | ZOL | 0.8809 |
404 | EUG | 0.8808 |
405 | 152 | 0.8808 |
406 | Q88 | 0.8808 |
407 | FBU | 0.8808 |
408 | G4D | 0.8808 |
409 | SLC | 0.8808 |
410 | DZX | 0.8808 |
411 | ES2 | 0.8807 |
412 | RPQ | 0.8807 |
413 | NQ | 0.8807 |
414 | GUN | 0.8806 |
415 | SYA | 0.8806 |
416 | BK9 | 0.8806 |
417 | 212 | 0.8806 |
418 | AHD | 0.8806 |
419 | GLR | 0.8805 |
420 | GTL | 0.8805 |
421 | FA1 | 0.8805 |
422 | GTQ | 0.8804 |
423 | H6B | 0.8804 |
424 | TPO | 0.8803 |
425 | NTZ | 0.8803 |
426 | 5DL | 0.8803 |
427 | XX3 | 0.8803 |
428 | IUP | 0.8803 |
429 | RM1 | 0.8803 |
430 | NLA | 0.8802 |
431 | GAB | 0.8801 |
432 | TLA | 0.8801 |
433 | GCV | 0.8801 |
434 | QBK | 0.8800 |
435 | S24 | 0.8800 |
436 | EU7 | 0.8800 |
437 | RIM | 0.8800 |
438 | 8TX | 0.8799 |
439 | 2O6 | 0.8799 |
440 | DCO | 0.8799 |
441 | 5LD | 0.8798 |
442 | 463 | 0.8798 |
443 | AFS | 0.8797 |
444 | 6KT | 0.8797 |
445 | INE | 0.8796 |
446 | FPK | 0.8794 |
447 | KDO | 0.8794 |
448 | VK3 | 0.8793 |
449 | 7VS | 0.8792 |
450 | 94W | 0.8791 |
451 | OVP | 0.8791 |
452 | KBB | 0.8791 |
453 | I3A | 0.8791 |
454 | 3HB | 0.8790 |
455 | 8EW | 0.8789 |
456 | 449 | 0.8788 |
457 | 4HC | 0.8788 |
458 | JJQ | 0.8787 |
459 | BFM | 0.8786 |
460 | IGA | 0.8786 |
461 | NZ3 | 0.8786 |
462 | 2A7 | 0.8786 |
463 | CS2 | 0.8786 |
464 | 27L | 0.8785 |
465 | SHA | 0.8785 |
466 | A2F | 0.8785 |
467 | M5N | 0.8785 |
468 | K5W | 0.8784 |
469 | ESP | 0.8784 |
470 | 5RG | 0.8784 |
471 | 5RP | 0.8784 |
472 | ZXD | 0.8784 |
473 | 92P | 0.8783 |
474 | 4P5 | 0.8783 |
475 | F0J | 0.8783 |
476 | P23 | 0.8783 |
477 | ASO | 0.8782 |
478 | 1X7 | 0.8782 |
479 | NCT | 0.8781 |
480 | HA7 | 0.8781 |
481 | IOS | 0.8781 |
482 | M1E | 0.8780 |
483 | 53C | 0.8780 |
484 | DHS | 0.8780 |
485 | DY8 | 0.8780 |
486 | TT4 | 0.8779 |
487 | NID | 0.8779 |
488 | PA1 | 0.8779 |
489 | 3NT | 0.8777 |
490 | GLF | 0.8777 |
491 | 4AV | 0.8777 |
492 | 5NU | 0.8775 |
493 | SRO | 0.8775 |
494 | RES | 0.8775 |
495 | GOG | 0.8775 |
496 | 1IT | 0.8774 |
497 | PXL | 0.8773 |
498 | 0RN | 0.8772 |
499 | 3C7 | 0.8772 |
500 | NOJ | 0.8771 |
501 | NHC | 0.8771 |
502 | N2I | 0.8769 |
503 | XIY | 0.8768 |
504 | BGT | 0.8768 |
505 | AMG | 0.8768 |
506 | CLW | 0.8768 |
507 | M5E | 0.8766 |
508 | NOY | 0.8765 |
509 | DBH | 0.8765 |
510 | 2SX | 0.8765 |
511 | 1LQ | 0.8765 |
512 | EVA | 0.8764 |
513 | N5J | 0.8764 |
514 | 7Y3 | 0.8764 |
515 | XAZ | 0.8764 |
516 | BCU | 0.8763 |
517 | AJ2 | 0.8763 |
518 | G2F | 0.8763 |
519 | B5D | 0.8762 |
520 | GLC | 0.8762 |
521 | AFR | 0.8761 |
522 | AUD | 0.8761 |
523 | J9W | 0.8760 |
524 | SOR | 0.8760 |
525 | GIM | 0.8760 |
526 | V55 | 0.8759 |
527 | DBJ | 0.8759 |
528 | SWA | 0.8759 |
529 | 9MG | 0.8759 |
530 | LQ2 | 0.8758 |
531 | FUC | 0.8758 |
532 | AS3 | 0.8757 |
533 | K2Q | 0.8757 |
534 | 7HP | 0.8757 |
535 | L5V | 0.8757 |
536 | 6DP | 0.8757 |
537 | FE DB1 | 0.8756 |
538 | HHA | 0.8756 |
539 | 1SQ | 0.8756 |
540 | II6 | 0.8754 |
541 | 6TZ | 0.8753 |
542 | G8M | 0.8753 |
543 | 5IQ | 0.8752 |
544 | 9RH | 0.8752 |
545 | EYK | 0.8752 |
546 | BGC | 0.8752 |
547 | MZM | 0.8752 |
548 | MR1 | 0.8752 |
549 | M5B | 0.8751 |
550 | 3R9 | 0.8751 |
551 | C2Y | 0.8751 |
552 | M0W | 0.8750 |
553 | 3C1 | 0.8750 |
554 | MAJ | 0.8750 |
555 | 1NP | 0.8748 |
556 | ROR | 0.8748 |
557 | H42 | 0.8747 |
558 | M1Q | 0.8747 |
559 | 45L | 0.8746 |
560 | 0P6 | 0.8745 |
561 | YH7 | 0.8745 |
562 | ALL | 0.8745 |
563 | GIO | 0.8745 |
564 | SJ5 | 0.8745 |
565 | 9TZ | 0.8744 |
566 | 3M0 | 0.8744 |
567 | 1FF | 0.8744 |
568 | VGD | 0.8744 |
569 | 7N0 | 0.8744 |
570 | F9Y | 0.8744 |
571 | 4ZA | 0.8744 |
572 | 52C | 0.8743 |
573 | YTX | 0.8743 |
574 | 23J | 0.8743 |
575 | 3C2 | 0.8742 |
576 | ECG | 0.8742 |
577 | MFU | 0.8742 |
578 | PE0 | 0.8742 |
579 | 56D | 0.8741 |
580 | 6FZ | 0.8740 |
581 | APS | 0.8740 |
582 | BPS | 0.8740 |
583 | FYU | 0.8740 |
584 | A9O | 0.8739 |
585 | GCS | 0.8739 |
586 | N2Z | 0.8739 |
587 | G5V | 0.8738 |
588 | A29 | 0.8738 |
589 | 3HP | 0.8737 |
590 | YSO | 0.8737 |
591 | GTZ | 0.8736 |
592 | 4NG | 0.8736 |
593 | CSN | 0.8735 |
594 | 3HA | 0.8735 |
595 | H62 | 0.8734 |
596 | EA1 | 0.8734 |
597 | DHI | 0.8734 |
598 | 790 | 0.8734 |
599 | 4BZ | 0.8733 |
600 | MJ2 | 0.8733 |
601 | 5DI | 0.8732 |
602 | Q24 | 0.8731 |
603 | UAN | 0.8731 |
604 | 4TU | 0.8730 |
605 | 2M5 | 0.8730 |
606 | 1P8 | 0.8729 |
607 | DJN | 0.8728 |
608 | 3F0 | 0.8728 |
609 | XEN | 0.8728 |
610 | J9T | 0.8727 |
611 | HQJ | 0.8727 |
612 | KIF | 0.8726 |
613 | MVL | 0.8726 |
614 | DIE | 0.8726 |
615 | 4HM | 0.8726 |
616 | AZ8 | 0.8726 |
617 | 4NM | 0.8725 |
618 | SNO | 0.8724 |
619 | 2C0 | 0.8724 |
620 | 428 | 0.8724 |
621 | MEW | 0.8723 |
622 | B2Y | 0.8722 |
623 | AQO | 0.8722 |
624 | 5Q0 | 0.8722 |
625 | RNO | 0.8721 |
626 | 5M0 | 0.8721 |
627 | ES1 | 0.8721 |
628 | GLU | 0.8720 |
629 | BTY | 0.8720 |
630 | M5K | 0.8719 |
631 | IFL | 0.8719 |
632 | K2T | 0.8718 |
633 | CTL | 0.8718 |
634 | P22 | 0.8718 |
635 | ESX | 0.8718 |
636 | 8S0 | 0.8717 |
637 | VOH | 0.8717 |
638 | CKA | 0.8717 |
639 | 3CR | 0.8716 |
640 | DXG | 0.8716 |
641 | HTP | 0.8716 |
642 | GZL | 0.8715 |
643 | 0UT | 0.8715 |
644 | 4XV | 0.8715 |
645 | FBB | 0.8714 |
646 | 4FS | 0.8714 |
647 | 54G | 0.8714 |
648 | G3F | 0.8714 |
649 | QX4 | 0.8714 |
650 | FOC | 0.8713 |
651 | A3M | 0.8713 |
652 | 8ZE | 0.8712 |
653 | 75K | 0.8712 |
654 | 3S6 | 0.8711 |
655 | GLY CYS | 0.8711 |
656 | KIA | 0.8710 |
657 | KIB | 0.8710 |
658 | 3C4 | 0.8709 |
659 | SN4 | 0.8708 |
660 | FH2 | 0.8708 |
661 | HMU | 0.8706 |
662 | 4I8 | 0.8706 |
663 | 5WX | 0.8706 |
664 | 4CS | 0.8706 |
665 | JRB | 0.8706 |
666 | 92K | 0.8706 |
667 | PHY | 0.8705 |
668 | MHK | 0.8705 |
669 | 7MU | 0.8704 |
670 | HIS | 0.8704 |
671 | TNX | 0.8704 |
672 | NDG | 0.8703 |
673 | HBU | 0.8703 |
674 | 289 | 0.8703 |
675 | 3MG | 0.8703 |
676 | 8XL | 0.8703 |
677 | 3TJ | 0.8702 |
678 | JR2 | 0.8702 |
679 | GOX | 0.8702 |
680 | 36R | 0.8702 |
681 | 03V | 0.8702 |
682 | 2C2 | 0.8701 |
683 | 069 | 0.8701 |
684 | KBG | 0.8699 |
685 | 3BU | 0.8698 |
686 | MNP | 0.8698 |
687 | ARP | 0.8698 |
688 | 4NB | 0.8697 |
689 | 5JQ | 0.8696 |
690 | 2AQ | 0.8695 |
691 | COU | 0.8695 |
692 | 43W | 0.8695 |
693 | BPN | 0.8695 |
694 | ADE | 0.8694 |
695 | 3AB | 0.8692 |
696 | ES5 | 0.8692 |
697 | HH5 | 0.8691 |
698 | 0W8 | 0.8691 |
699 | 1SV | 0.8690 |
700 | PEY | 0.8690 |
701 | 7FF | 0.8689 |
702 | JTH | 0.8689 |
703 | 3MV | 0.8689 |
704 | 3R6 | 0.8688 |
705 | ICB | 0.8688 |
706 | F4E | 0.8686 |
707 | MO8 | 0.8686 |
708 | VXX | 0.8686 |
709 | MAN | 0.8686 |
710 | BCK | 0.8685 |
711 | GIF | 0.8684 |
712 | CTS | 0.8684 |
713 | 51R | 0.8684 |
714 | 20J | 0.8683 |
715 | 1Z8 | 0.8683 |
716 | NMJ | 0.8683 |
717 | LDP | 0.8683 |
718 | ZGL | 0.8682 |
719 | GYP | 0.8681 |
720 | B2J | 0.8681 |
721 | AOS | 0.8680 |
722 | 308 | 0.8680 |
723 | 3PG | 0.8680 |
724 | AGK | 0.8679 |
725 | FDK | 0.8679 |
726 | MT5 | 0.8678 |
727 | XXG | 0.8678 |
728 | A2G | 0.8678 |
729 | CKU | 0.8677 |
730 | 717 | 0.8676 |
731 | AEZ | 0.8675 |
732 | 9ZE | 0.8674 |
733 | M4E | 0.8673 |
734 | 7HQ | 0.8673 |
735 | SR1 | 0.8672 |
736 | 49N | 0.8672 |
737 | KFH | 0.8672 |
738 | DPF | 0.8670 |
739 | 12M | 0.8670 |
740 | SVD | 0.8669 |
741 | 9FE | 0.8669 |
742 | 787 | 0.8668 |
743 | AEH | 0.8668 |
744 | 1P3 | 0.8668 |
745 | HQD | 0.8668 |
746 | PHB | 0.8668 |
747 | FP1 | 0.8667 |
748 | CFF | 0.8665 |
749 | 2LY | 0.8665 |
750 | OCH | 0.8665 |
751 | MUA | 0.8664 |
752 | CNL | 0.8664 |
753 | PAB | 0.8663 |
754 | TRP | 0.8663 |
755 | HPA | 0.8663 |
756 | 5MK | 0.8663 |
757 | M74 | 0.8662 |
758 | I6G | 0.8662 |
759 | SYV | 0.8662 |
760 | 1M2 | 0.8662 |
761 | 4JQ | 0.8661 |
762 | 7Q1 | 0.8661 |
763 | GT0 | 0.8661 |
764 | B55 | 0.8660 |
765 | ZZT | 0.8660 |
766 | SEP | 0.8659 |
767 | XH2 | 0.8659 |
768 | QMS | 0.8659 |
769 | GYE | 0.8659 |
770 | 2BG | 0.8658 |
771 | IOP | 0.8658 |
772 | DEW | 0.8658 |
773 | 9R5 | 0.8656 |
774 | IF7 | 0.8656 |
775 | LCN | 0.8656 |
776 | 61O | 0.8654 |
777 | M1H | 0.8654 |
778 | DMJ | 0.8653 |
779 | 8GC | 0.8652 |
780 | BM3 | 0.8652 |
781 | NPO | 0.8652 |
782 | DHB | 0.8652 |
783 | 4VY | 0.8652 |
784 | 8H8 | 0.8650 |
785 | 7ME | 0.8650 |
786 | GVM | 0.8650 |
787 | ZON | 0.8647 |
788 | NDH | 0.8647 |
789 | NOK | 0.8647 |
790 | F34 | 0.8647 |
791 | M1P | 0.8647 |
792 | FBV | 0.8646 |
793 | 1L5 | 0.8646 |
794 | SRT | 0.8645 |
795 | LGC | 0.8645 |
796 | CFA | 0.8645 |
797 | BZJ | 0.8645 |
798 | LRH | 0.8642 |
799 | LT3 | 0.8642 |
800 | EOL | 0.8642 |
801 | 6VD | 0.8641 |
802 | 2AS | 0.8641 |
803 | 67X | 0.8640 |
804 | HMH | 0.8640 |
805 | BBK | 0.8639 |
806 | BZS | 0.8638 |
807 | QDK | 0.8638 |
808 | XLS | 0.8638 |
809 | R20 | 0.8638 |
810 | XUL | 0.8637 |
811 | IFP | 0.8637 |
812 | 24B | 0.8636 |
813 | GDL | 0.8635 |
814 | P84 | 0.8635 |
815 | HYA | 0.8635 |
816 | 49O | 0.8634 |
817 | NBG | 0.8634 |
818 | MWP | 0.8634 |
819 | MCO | 0.8633 |
820 | GC2 | 0.8632 |
821 | B62 | 0.8631 |
822 | MNM | 0.8630 |
823 | ASF | 0.8630 |
824 | Q07 | 0.8629 |
825 | 261 | 0.8629 |
826 | 5HN | 0.8628 |
827 | AX3 | 0.8628 |
828 | UFV | 0.8627 |
829 | AHR | 0.8627 |
830 | SMN | 0.8627 |
831 | ONL | 0.8626 |
832 | 4JT | 0.8625 |
833 | 46P | 0.8625 |
834 | CIP | 0.8625 |
835 | GLL | 0.8625 |
836 | ZZ3 | 0.8624 |
837 | DGJ | 0.8624 |
838 | 4XS | 0.8623 |
839 | HXX | 0.8623 |
840 | GJP | 0.8620 |
841 | 5RO | 0.8620 |
842 | VM1 | 0.8619 |
843 | BTE | 0.8619 |
844 | 259 | 0.8618 |
845 | 3Z8 | 0.8617 |
846 | DAL DAL | 0.8616 |
847 | 3SK | 0.8616 |
848 | PJW | 0.8616 |
849 | TQU | 0.8615 |
850 | PTO | 0.8615 |
851 | DS0 | 0.8615 |
852 | 3PF | 0.8614 |
853 | 6M4 | 0.8614 |
854 | SYG | 0.8614 |
855 | G2H | 0.8613 |
856 | GRO | 0.8613 |
857 | DQU | 0.8612 |
858 | RM4 | 0.8612 |
859 | GLN | 0.8612 |
860 | SHG | 0.8610 |
861 | PZI | 0.8610 |
862 | DIU | 0.8610 |
863 | FBW | 0.8609 |
864 | HDH | 0.8609 |
865 | EHM | 0.8608 |
866 | 3U4 | 0.8607 |
867 | PZM | 0.8607 |
868 | 5QX | 0.8605 |
869 | 2CZ | 0.8604 |
870 | XCZ | 0.8603 |
871 | 5QY | 0.8603 |
872 | M3Q | 0.8602 |
873 | SAL | 0.8602 |
874 | FUL | 0.8602 |
875 | BZX | 0.8601 |
876 | ZB1 | 0.8600 |
877 | HC4 | 0.8600 |
878 | FBF | 0.8598 |
879 | DHY | 0.8598 |
880 | G1P | 0.8595 |
881 | RB0 | 0.8595 |
882 | LNR | 0.8595 |
883 | 44V | 0.8594 |
884 | 3BZ | 0.8594 |
885 | GZQ | 0.8591 |
886 | 7CT | 0.8590 |
887 | JKE | 0.8589 |
888 | WCE | 0.8588 |
889 | S7J | 0.8588 |
890 | ZWZ | 0.8587 |
891 | 9BF | 0.8587 |
892 | BE2 | 0.8587 |
893 | KG1 | 0.8587 |
894 | INO | 0.8584 |
895 | 5LA | 0.8582 |
896 | XYL | 0.8582 |
897 | ARW | 0.8582 |
898 | JAA | 0.8580 |
899 | 1LN | 0.8579 |
900 | FCB | 0.8578 |
901 | MYJ | 0.8577 |
902 | 9FQ | 0.8576 |
903 | 57O | 0.8575 |
904 | RIB | 0.8575 |
905 | K6H | 0.8575 |
906 | 4NC | 0.8574 |
907 | 2B4 | 0.8573 |
908 | 4FA | 0.8573 |
909 | SNE | 0.8572 |
910 | E1P | 0.8572 |
911 | YRL | 0.8569 |
912 | 3GQ | 0.8568 |
913 | 4RU | 0.8567 |
914 | 2LP | 0.8567 |
915 | J6W | 0.8565 |
916 | 8NX | 0.8565 |
917 | 3FH | 0.8564 |
918 | N3W | 0.8564 |
919 | R8V | 0.8564 |
920 | E7Z | 0.8564 |
921 | 173 | 0.8563 |
922 | JND | 0.8561 |
923 | 8OZ | 0.8560 |
924 | 8WT | 0.8560 |
925 | RMN | 0.8559 |
926 | X1P | 0.8553 |
927 | 5VJ | 0.8552 |
928 | 2HO | 0.8552 |
929 | TTL | 0.8551 |
930 | 5NS | 0.8550 |
931 | AC6 | 0.8548 |
932 | XX2 | 0.8548 |
933 | TNE | 0.8544 |
934 | 7MK | 0.8542 |
935 | JZ4 | 0.8542 |
936 | 36E | 0.8539 |
937 | ISJ | 0.8536 |
938 | PXM | 0.8532 |
939 | AOZ | 0.8526 |
940 | T9G | 0.8521 |
941 | HBD | 0.8521 |
942 | UFO | 0.8516 |
943 | UNJ | 0.8512 |
944 | X05 | 0.8512 |
945 | 5GT | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 2xbp.bio1) has 61 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2xbp.bio1) has 61 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2xbp.bio1) has 61 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |