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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 5 families. | |||||
1 | 1QPG | - | MAP | C10 H16 Mg N6 O12 P3 | c1nc(c2c(n.... |
2 | 3PGK | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
3 | 5O7D | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
4 | 2WZC | - | ALF ADP 3PG | n/a | n/a |
5 | 5M3U | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
6 | 1HDI | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
7 | 2XE7 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
8 | 3C3B | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
9 | 4O3F | Kd = 2.78 uM | TZN | C19 H25 N5 O4 | COc1cc2c(c.... |
10 | 3C3A | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 1KF0 | Kd = 2.8 mM | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
12 | 5M1R | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
13 | 2ZGV | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 2WZB | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
15 | 1VJD | Kd = 0.286 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
16 | 3C3C | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
17 | 5MXM | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
18 | 1VJC | Kd = 0.263 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
19 | 2WZD | - | AF3 ADP 3PG | n/a | n/a |
20 | 3C39 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
21 | 2XE8 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
22 | 2YBE | - | LA8 ALF 3PG | n/a | n/a |
23 | 2XE6 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
24 | 4O33 | Kd = 2.78 uM | TZN | C19 H25 N5 O4 | COc1cc2c(c.... |
25 | 5M6Z | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
26 | 2P9T | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 13PK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 16PK | - | BIS | C15 H22 F4 N5 O12 P3 | c1nc(c2c(n.... |
3 | 1QPG | - | MAP | C10 H16 Mg N6 O12 P3 | c1nc(c2c(n.... |
4 | 3PGK | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
5 | 2CUN | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
6 | 5O7D | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
7 | 2WZC | - | ALF ADP 3PG | n/a | n/a |
8 | 5M3U | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
9 | 1HDI | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
10 | 2XE7 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 3C3B | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
12 | 4O3F | Kd = 2.78 uM | TZN | C19 H25 N5 O4 | COc1cc2c(c.... |
13 | 3C3A | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 1KF0 | Kd = 2.8 mM | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
15 | 5M1R | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
16 | 2ZGV | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
17 | 2WZB | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
18 | 1VJD | Kd = 0.286 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
19 | 3C3C | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
20 | 5MXM | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
21 | 1VJC | Kd = 0.263 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
22 | 2WZD | - | AF3 ADP 3PG | n/a | n/a |
23 | 3C39 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
24 | 2XE8 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
25 | 2YBE | - | LA8 ALF 3PG | n/a | n/a |
26 | 2XE6 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
27 | 4O33 | Kd = 2.78 uM | TZN | C19 H25 N5 O4 | COc1cc2c(c.... |
28 | 5M6Z | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
29 | 2P9T | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
30 | 6HXE | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
31 | 1VPE | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
32 | 1PHP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
33 | 3ZLB | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3PG | 1 | 1 |
2 | DEZ | 0.575758 | 0.941176 |
3 | DER | 0.575758 | 0.941176 |
4 | SEP | 0.515152 | 0.74359 |
5 | 4TP | 0.5 | 0.780488 |
6 | PA5 | 0.486486 | 0.941176 |
7 | R10 | 0.486486 | 0.941176 |
8 | DG2 | 0.485714 | 0.909091 |
9 | LG6 | 0.461538 | 0.941176 |
10 | 6PG | 0.461538 | 0.941176 |
11 | HG3 | 0.451613 | 0.9375 |
12 | 1GP | 0.4375 | 0.852941 |
13 | G3P | 0.4375 | 0.852941 |
14 | PGA | 0.433333 | 0.90625 |
15 | DXP | 0.432432 | 0.911765 |
16 | GOS | 0.424242 | 0.857143 |
17 | M2P | 0.424242 | 0.857143 |
18 | G3H | 0.411765 | 0.9375 |
19 | 5RP | 0.410256 | 0.837838 |
20 | D5X | 0.410256 | 0.941176 |
21 | HMS | 0.410256 | 0.837838 |
22 | 5SP | 0.410256 | 0.837838 |
23 | PEQ | 0.40625 | 0.727273 |
24 | 0V5 | 0.40625 | 0.727273 |
25 | RUB | 0.4 | 0.885714 |
26 | XBP | 0.4 | 0.885714 |
27 | RES | 0.4 | 0.659574 |
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 | AMP MG | 0.830769 | 0.956522 |
7 | ADP | 0.823529 | 0.971429 |
8 | BA3 | 0.808824 | 0.943662 |
9 | AP2 | 0.808824 | 0.931507 |
10 | A12 | 0.808824 | 0.931507 |
11 | SRA | 0.80303 | 0.944444 |
12 | AP5 | 0.797101 | 0.943662 |
13 | B4P | 0.797101 | 0.943662 |
14 | HEJ | 0.788732 | 0.971429 |
15 | ATP | 0.788732 | 0.971429 |
16 | AN2 | 0.785714 | 0.957747 |
17 | AT4 | 0.785714 | 0.931507 |
18 | APC | 0.777778 | 0.931507 |
19 | 5FA | 0.777778 | 0.971429 |
20 | AQP | 0.777778 | 0.971429 |
21 | AU1 | 0.774648 | 0.944444 |
22 | CA0 | 0.774648 | 0.917808 |
23 | ADX | 0.774648 | 0.848101 |
24 | M33 | 0.774648 | 0.930556 |
25 | KG4 | 0.763889 | 0.917808 |
26 | ACP | 0.763889 | 0.944444 |
27 | 50T | 0.763889 | 0.957747 |
28 | ADP BEF | 0.760563 | 0.942857 |
29 | ADP MG | 0.760563 | 0.942857 |
30 | 25A | 0.75641 | 0.971429 |
31 | APR | 0.753425 | 0.943662 |
32 | AR6 | 0.753425 | 0.943662 |
33 | PRX | 0.753425 | 0.917808 |
34 | TAT | 0.746667 | 0.931507 |
35 | T99 | 0.746667 | 0.931507 |
36 | ACQ | 0.746667 | 0.944444 |
37 | AGS | 0.743243 | 0.918919 |
38 | RBY | 0.743243 | 0.905405 |
39 | ADV | 0.743243 | 0.905405 |
40 | AD9 | 0.743243 | 0.944444 |
41 | ANP | 0.723684 | 0.944444 |
42 | APC MG | 0.72 | 0.916667 |
43 | ATP MG | 0.72 | 0.942857 |
44 | ADP PO3 | 0.72 | 0.942857 |
45 | 6YZ | 0.717949 | 0.944444 |
46 | 5AL | 0.714286 | 0.930556 |
47 | V2G | 0.714286 | 0.894737 |
48 | 8LE | 0.714286 | 0.893333 |
49 | SON | 0.712329 | 0.931507 |
50 | BEF ADP | 0.710526 | 0.916667 |
51 | LMS | 0.710145 | 0.825 |
52 | ADN | 0.709677 | 0.842857 |
53 | RAB | 0.709677 | 0.842857 |
54 | XYA | 0.709677 | 0.842857 |
55 | HQG | 0.708861 | 0.957747 |
56 | ATF | 0.705128 | 0.931507 |
57 | GAP | 0.701299 | 0.891892 |
58 | A22 | 0.7 | 0.957747 |
59 | 8LH | 0.696203 | 0.905405 |
60 | SRP | 0.696203 | 0.905405 |
61 | 7D5 | 0.691176 | 0.902778 |
62 | A2P | 0.684932 | 0.956522 |
63 | A3P | 0.684932 | 0.971014 |
64 | ALF ADP | 0.683544 | 0.868421 |
65 | ANP MG | 0.683544 | 0.930556 |
66 | VO4 ADP | 0.683544 | 0.944444 |
67 | ADQ | 0.682927 | 0.917808 |
68 | MAP | 0.679012 | 0.918919 |
69 | QA7 | 0.679012 | 0.893333 |
70 | 8LQ | 0.679012 | 0.905405 |
71 | 5SV | 0.670732 | 0.87013 |
72 | OZV | 0.670732 | 0.943662 |
73 | 9ZA | 0.670732 | 0.906667 |
74 | 9ZD | 0.670732 | 0.906667 |
75 | OOB | 0.670732 | 0.930556 |
76 | 8QN | 0.670732 | 0.930556 |
77 | PTJ | 0.670588 | 0.894737 |
78 | AOC | 0.666667 | 0.84507 |
79 | A1R | 0.662651 | 0.881579 |
80 | A3R | 0.662651 | 0.881579 |
81 | AMO | 0.662651 | 0.905405 |
82 | PAJ | 0.662651 | 0.858974 |
83 | 4AD | 0.662651 | 0.893333 |
84 | 5N5 | 0.661538 | 0.816901 |
85 | DAL AMP | 0.658537 | 0.90411 |
86 | IMO | 0.657534 | 0.928571 |
87 | DLL | 0.654762 | 0.930556 |
88 | 00A | 0.654762 | 0.881579 |
89 | AHX | 0.654762 | 0.87013 |
90 | JNT | 0.654762 | 0.917808 |
91 | 5AS | 0.653333 | 0.776471 |
92 | A4D | 0.651515 | 0.816901 |
93 | 5CD | 0.651515 | 0.828571 |
94 | 6MZ | 0.648649 | 0.957143 |
95 | ADP BMA | 0.647059 | 0.891892 |
96 | 3UK | 0.647059 | 0.917808 |
97 | OAD | 0.647059 | 0.917808 |
98 | 9X8 | 0.647059 | 0.893333 |
99 | 25L | 0.643678 | 0.957747 |
100 | PR8 | 0.639535 | 0.848101 |
101 | WAQ | 0.639535 | 0.881579 |
102 | LAD | 0.639535 | 0.858974 |
103 | B5V | 0.639535 | 0.905405 |
104 | DTA | 0.637681 | 0.808219 |
105 | V3L | 0.6375 | 0.971429 |
106 | 3DH | 0.633803 | 0.794521 |
107 | 3OD | 0.632184 | 0.917808 |
108 | FYA | 0.632184 | 0.930556 |
109 | BIS | 0.632184 | 0.906667 |
110 | TXA | 0.632184 | 0.905405 |
111 | 1ZZ | 0.632184 | 0.8375 |
112 | ME8 | 0.632184 | 0.8375 |
113 | NB8 | 0.632184 | 0.87013 |
114 | MTA | 0.628571 | 0.794521 |
115 | 3AM | 0.625 | 0.956522 |
116 | EP4 | 0.623188 | 0.773333 |
117 | 9SN | 0.617977 | 0.87013 |
118 | M2T | 0.614286 | 0.753247 |
119 | JB6 | 0.613636 | 0.881579 |
120 | KMQ | 0.611111 | 0.905405 |
121 | FA5 | 0.611111 | 0.905405 |
122 | B5Y | 0.611111 | 0.893333 |
123 | B5M | 0.611111 | 0.893333 |
124 | H1Q | 0.607595 | 0.929577 |
125 | MYR AMP | 0.606742 | 0.814815 |
126 | G5A | 0.604938 | 0.776471 |
127 | XAH | 0.604396 | 0.8375 |
128 | 4UV | 0.597826 | 0.893333 |
129 | 71V | 0.597403 | 0.906667 |
130 | ATP A | 0.593407 | 0.929577 |
131 | ATP A A A | 0.593407 | 0.929577 |
132 | PAP | 0.592593 | 0.957143 |
133 | G3A | 0.591398 | 0.894737 |
134 | 2AM | 0.589041 | 0.942857 |
135 | 5X8 | 0.5875 | 0.783784 |
136 | 6RE | 0.586667 | 0.779221 |
137 | 6C6 | 0.585366 | 0.905405 |
138 | G5P | 0.585106 | 0.894737 |
139 | AFH | 0.585106 | 0.858974 |
140 | 4UU | 0.585106 | 0.893333 |
141 | GA7 | 0.585106 | 0.905405 |
142 | 7D3 | 0.584416 | 0.878378 |
143 | A5A | 0.583333 | 0.804878 |
144 | TSB | 0.581395 | 0.795181 |
145 | AMP DBH | 0.580645 | 0.891892 |
146 | 2A5 | 0.580247 | 0.891892 |
147 | TAD | 0.578947 | 0.858974 |
148 | GTA | 0.578947 | 0.860759 |
149 | DQV | 0.578947 | 0.930556 |
150 | DSH | 0.578947 | 0.74359 |
151 | 6IA | 0.578313 | 0.858974 |
152 | SSA | 0.576471 | 0.776471 |
153 | AMZ | 0.575342 | 0.888889 |
154 | C2R | 0.575342 | 0.876712 |
155 | 7D4 | 0.575 | 0.878378 |
156 | PGS | 0.575 | 0.857143 |
157 | ZAS | 0.573333 | 0.786667 |
158 | ATR | 0.573171 | 0.942857 |
159 | LAQ | 0.572917 | 0.8375 |
160 | AAM | 0.571429 | 1 |
161 | PPS | 0.571429 | 0.848101 |
162 | A3N | 0.571429 | 0.783784 |
163 | J7C | 0.571429 | 0.789474 |
164 | AIR | 0.571429 | 0.927536 |
165 | 52H | 0.569767 | 0.776471 |
166 | 54H | 0.569767 | 0.785714 |
167 | VMS | 0.569767 | 0.785714 |
168 | 7MD | 0.568421 | 0.8375 |
169 | ARG AMP | 0.568421 | 0.82716 |
170 | AR6 AR6 | 0.568421 | 0.916667 |
171 | YLP | 0.56701 | 0.817073 |
172 | 48N | 0.56701 | 0.87013 |
173 | OVE | 0.565789 | 0.90411 |
174 | UPA | 0.565657 | 0.881579 |
175 | 2SA | 0.564706 | 0.905405 |
176 | S4M | 0.564103 | 0.682353 |
177 | 5CA | 0.563218 | 0.776471 |
178 | 53H | 0.563218 | 0.776471 |
179 | 8X1 | 0.563218 | 0.75 |
180 | 6V0 | 0.561224 | 0.87013 |
181 | NAX | 0.561224 | 0.848101 |
182 | 4UW | 0.561224 | 0.858974 |
183 | TXD | 0.561224 | 0.881579 |
184 | UP5 | 0.561224 | 0.893333 |
185 | NAI | 0.561224 | 0.881579 |
186 | DND | 0.561224 | 0.905405 |
187 | NIA | 0.56 | 0.820513 |
188 | D5M | 0.558442 | 0.902778 |
189 | DA | 0.558442 | 0.902778 |
190 | NWW | 0.557143 | 0.757143 |
191 | MAO | 0.556962 | 0.777778 |
192 | AHZ | 0.556701 | 0.814815 |
193 | TXE | 0.555556 | 0.881579 |
194 | TYM | 0.555556 | 0.905405 |
195 | ITT | 0.555556 | 0.915493 |
196 | OMR | 0.555556 | 0.82716 |
197 | 5AD | 0.552239 | 0.768116 |
198 | A2R | 0.551724 | 0.957747 |
199 | LPA AMP | 0.55102 | 0.814815 |
200 | DSZ | 0.550562 | 0.776471 |
201 | NSS | 0.550562 | 0.776471 |
202 | LSS | 0.550562 | 0.758621 |
203 | YLC | 0.55 | 0.8375 |
204 | L3W | 0.55 | 0.905405 |
205 | YLB | 0.55 | 0.817073 |
206 | AP0 | 0.55 | 0.87013 |
207 | 4TC | 0.55 | 0.87013 |
208 | P5A | 0.549451 | 0.741573 |
209 | J4G | 0.549451 | 0.918919 |
210 | 139 | 0.54902 | 0.848101 |
211 | O02 | 0.547619 | 0.894737 |
212 | A4P | 0.544554 | 0.819277 |
213 | NVA LMS | 0.544444 | 0.75 |
214 | GJV | 0.544304 | 0.769231 |
215 | 7D7 | 0.544118 | 0.763889 |
216 | 9K8 | 0.543478 | 0.711111 |
217 | A7D | 0.54321 | 0.797297 |
218 | AF3 ADP 3PG | 0.54 | 0.835443 |
219 | ALF ADP 3PG | 0.54 | 0.835443 |
220 | 6K6 | 0.539326 | 0.957143 |
221 | IOT | 0.539216 | 0.829268 |
222 | LEU LMS | 0.538462 | 0.747126 |
223 | A3G | 0.538462 | 0.797297 |
224 | A5D | 0.535714 | 0.808219 |
225 | NAD IBO | 0.534653 | 0.916667 |
226 | 7MC | 0.534653 | 0.817073 |
227 | NAD TDB | 0.534653 | 0.916667 |
228 | YLA | 0.533981 | 0.817073 |
229 | T5A | 0.533981 | 0.817073 |
230 | ADJ | 0.533981 | 0.82716 |
231 | GSU | 0.532609 | 0.776471 |
232 | KAA | 0.532609 | 0.75 |
233 | 7RA | 0.531646 | 0.985507 |
234 | SFG | 0.53012 | 0.77027 |
235 | SAH | 0.529412 | 0.763158 |
236 | HFD | 0.529412 | 0.918919 |
237 | JSQ | 0.529412 | 0.918919 |
238 | AYB | 0.528846 | 0.807229 |
239 | CNA | 0.528846 | 0.905405 |
240 | N6P | 0.527473 | 0.942029 |
241 | 8BR | 0.525 | 0.931507 |
242 | F2R | 0.52381 | 0.839506 |
243 | 80F | 0.523364 | 0.817073 |
244 | Y3J | 0.521127 | 0.746479 |
245 | YSA | 0.520833 | 0.776471 |
246 | 7RP | 0.518987 | 0.955882 |
247 | NAD | 0.518868 | 0.930556 |
248 | BTX | 0.518868 | 0.839506 |
249 | COD | 0.518868 | 0.788235 |
250 | MHZ | 0.518072 | 0.714286 |
251 | SA8 | 0.517647 | 0.725 |
252 | 6AD | 0.517241 | 0.883117 |
253 | BT5 | 0.514019 | 0.829268 |
254 | DZD | 0.514019 | 0.858974 |
255 | RMB | 0.5125 | 0.898551 |
256 | CUU | 0.511905 | 0.943662 |
257 | SAI | 0.511628 | 0.753247 |
258 | AV2 | 0.511364 | 0.890411 |
259 | K2R | 0.510638 | 0.878378 |
260 | 8PZ | 0.510417 | 0.776471 |
261 | K3K | 0.510417 | 0.8 |
262 | A3D | 0.509259 | 0.917808 |
263 | A3S | 0.506024 | 0.808219 |
264 | 3AT | 0.505747 | 0.943662 |
265 | SAM | 0.505747 | 0.707317 |
266 | SMM | 0.505618 | 0.702381 |
267 | NA7 | 0.505376 | 0.931507 |
268 | B1U | 0.505155 | 0.733333 |
269 | AMP NAD | 0.504673 | 0.90411 |
270 | 4TA | 0.504673 | 0.804878 |
271 | 5GP | 0.5 | 0.905405 |
272 | EEM | 0.5 | 0.707317 |
273 | NEC | 0.5 | 0.743243 |
274 | NO7 | 0.5 | 0.905405 |
275 | G | 0.5 | 0.905405 |
276 | AAT | 0.5 | 0.725 |
277 | YLY | 0.495495 | 0.807229 |
278 | M24 | 0.495495 | 0.848101 |
279 | 7C5 | 0.494949 | 0.815789 |
280 | A3T | 0.494118 | 0.819444 |
281 | DAT | 0.494118 | 0.878378 |
282 | FAI | 0.493827 | 0.888889 |
283 | P2P | 0.493827 | 0.928571 |
284 | 1RB | 0.493671 | 0.911765 |
285 | NAE | 0.491071 | 0.893333 |
286 | D4F | 0.491071 | 0.8375 |
287 | NAJ PZO | 0.490909 | 0.846154 |
288 | KOY | 0.490196 | 0.8 |
289 | LQJ | 0.489796 | 0.916667 |
290 | TM1 | 0.489583 | 0.771084 |
291 | PO4 PO4 A A A A PO4 | 0.489362 | 0.901408 |
292 | A6D | 0.489362 | 0.740741 |
293 | QXP | 0.48913 | 0.761905 |
294 | V47 | 0.488889 | 0.780822 |
295 | S7M | 0.488889 | 0.707317 |
296 | DTP | 0.488636 | 0.878378 |
297 | RBZ | 0.4875 | 0.873239 |
298 | 101 | 0.4875 | 0.902778 |
299 | NWQ | 0.487179 | 0.736111 |
300 | EAD | 0.486957 | 0.848101 |
301 | NAQ | 0.486726 | 0.87013 |
302 | 4YB | 0.485149 | 0.758621 |
303 | K3E | 0.484848 | 0.789474 |
304 | NDE | 0.483051 | 0.931507 |
305 | 38V | 0.482456 | 0.860759 |
306 | N0B | 0.482456 | 0.817073 |
307 | ZID | 0.482456 | 0.917808 |
308 | N5O | 0.481481 | 0.76 |
309 | WSA | 0.480769 | 0.785714 |
310 | KL2 | 0.480519 | 0.861111 |
311 | RGT | 0.479592 | 0.931507 |
312 | ARU | 0.478723 | 0.835443 |
313 | GGZ | 0.478261 | 0.8 |
314 | JLN | 0.47561 | 0.863014 |
315 | ANZ | 0.475248 | 0.820513 |
316 | QQY | 0.475 | 0.837838 |
317 | ACK | 0.475 | 0.885714 |
318 | QXG | 0.473684 | 0.752941 |
319 | NAJ PYZ | 0.473684 | 0.804878 |
320 | S8M | 0.473118 | 0.779221 |
321 | AVV | 0.473118 | 0.87013 |
322 | GEK | 0.473118 | 0.734177 |
323 | 3AD | 0.472973 | 0.828571 |
324 | P1H | 0.470588 | 0.82716 |
325 | N5A | 0.46988 | 0.733333 |
326 | R2V | 0.46875 | 0.761905 |
327 | 0UM | 0.468085 | 0.716049 |
328 | RVP | 0.467532 | 0.847222 |
329 | 649 | 0.466667 | 0.741573 |
330 | Z5A | 0.465517 | 0.776471 |
331 | PMO | 0.464286 | 0.873239 |
332 | O05 | 0.463918 | 0.819277 |
333 | SXZ | 0.463918 | 0.707317 |
334 | 62X | 0.463158 | 0.682353 |
335 | K2H | 0.463158 | 0.753247 |
336 | QQX | 0.4625 | 0.826667 |
337 | KY2 | 0.462366 | 0.75 |
338 | 8Q2 | 0.462264 | 0.75 |
339 | OK8 | 0.461538 | 0.853333 |
340 | K2W | 0.46 | 0.7375 |
341 | 2VA | 0.45977 | 0.797297 |
342 | IMP | 0.458824 | 0.90411 |
343 | CC5 | 0.458333 | 0.84058 |
344 | K15 | 0.458333 | 0.698795 |
345 | AS | 0.457831 | 0.855263 |
346 | DDS | 0.455556 | 0.851351 |
347 | V1N | 0.455446 | 0.943662 |
348 | NJP | 0.454545 | 0.918919 |
349 | K38 | 0.454545 | 0.776316 |
350 | K2K | 0.453608 | 0.734177 |
351 | 7DD | 0.453488 | 0.957143 |
352 | G7M | 0.453488 | 0.87013 |
353 | 93A | 0.453488 | 0.804878 |
354 | 3D1 | 0.453333 | 0.77027 |
355 | 3L1 | 0.453333 | 0.77027 |
356 | KYB | 0.452632 | 0.75 |
357 | EO7 | 0.452381 | 0.785714 |
358 | NDC | 0.45082 | 0.87013 |
359 | FB0 | 0.45082 | 0.781609 |
360 | DZ4 | 0.450549 | 0.855263 |
361 | 0WD | 0.45045 | 0.894737 |
362 | NVA 2AD | 0.449438 | 0.75641 |
363 | 26A | 0.447368 | 0.76 |
364 | 2FA | 0.447368 | 0.810811 |
365 | 2BA | 0.447059 | 0.914286 |
366 | CMP | 0.447059 | 0.927536 |
367 | D3Y | 0.446809 | 0.786667 |
368 | K3H | 0.445545 | 0.746835 |
369 | VRT | 0.444444 | 0.766234 |
370 | APU | 0.444444 | 0.893333 |
371 | KB1 | 0.444444 | 0.716049 |
372 | KY5 | 0.444444 | 0.74359 |
373 | SO8 | 0.444444 | 0.786667 |
374 | FDA | 0.443548 | 0.809524 |
375 | PUA | 0.443478 | 0.858974 |
376 | ODP | 0.441441 | 0.883117 |
377 | 6FA | 0.44 | 0.817073 |
378 | NX8 | 0.43956 | 0.7125 |
379 | RP1 | 0.439024 | 0.864865 |
380 | SP1 | 0.439024 | 0.864865 |
381 | 103 | 0.439024 | 0.861111 |
382 | 3NZ | 0.438776 | 0.779221 |
383 | KY8 | 0.438776 | 0.746835 |
384 | 7DT | 0.438202 | 0.957143 |
385 | NDP | 0.436364 | 0.894737 |
386 | NPW | 0.436364 | 0.860759 |
387 | MTP | 0.434211 | 0.727273 |
388 | FAD | 0.433071 | 0.82716 |
389 | SFD | 0.433071 | 0.712766 |
390 | FAS | 0.433071 | 0.82716 |
391 | TXP | 0.432432 | 0.894737 |
392 | IRN | 0.432432 | 0.867647 |
393 | NZQ | 0.432432 | 0.883117 |
394 | ZZB | 0.432432 | 0.792683 |
395 | KYE | 0.431373 | 0.731707 |
396 | 62F | 0.430769 | 0.8375 |
397 | FNK | 0.430769 | 0.781609 |
398 | 128 | 0.429907 | 0.752941 |
399 | 9BG | 0.428571 | 0.87013 |
400 | KXW | 0.428571 | 0.725 |
401 | 6MD | 0.428571 | 0.805556 |
402 | PAX | 0.428571 | 0.82716 |
403 | 1DA | 0.428571 | 0.842857 |
404 | SLU | 0.426087 | 0.767442 |
405 | PLP AAD | 0.426087 | 0.75 |
406 | XNP | 0.424779 | 0.848101 |
407 | HZ2 | 0.424528 | 0.728395 |
408 | 12D | 0.424528 | 0.761905 |
409 | 5F1 | 0.423077 | 0.72973 |
410 | DCA | 0.422414 | 0.8 |
411 | ETB | 0.422414 | 0.809524 |
412 | NWZ | 0.422222 | 0.7 |
413 | F0P | 0.422018 | 0.725 |
414 | ERJ | 0.421687 | 0.777778 |
415 | WMP | 0.421053 | 0.864865 |
416 | GUO | 0.421053 | 0.864865 |
417 | OZP | 0.420561 | 0.725 |
418 | U4Y | 0.420561 | 0.734177 |
419 | HY8 | 0.416667 | 0.728395 |
420 | FAY | 0.416667 | 0.8375 |
421 | 38Y | 0.415929 | 0.804878 |
422 | 5J9 | 0.415842 | 0.728395 |
423 | NAD BBN | 0.415385 | 0.817073 |
424 | COA | 0.415254 | 0.8 |
425 | 0T1 | 0.415254 | 0.8 |
426 | KH3 | 0.415094 | 0.690476 |
427 | N01 | 0.413793 | 0.90411 |
428 | FMP | 0.413793 | 0.871429 |
429 | RFL | 0.413534 | 0.797619 |
430 | NMN AMP PO4 | 0.412281 | 0.868421 |
431 | NAD CJ3 | 0.409091 | 0.788235 |
432 | Q34 | 0.409091 | 0.690476 |
433 | Q2M | 0.409091 | 0.707317 |
434 | GDP | 0.408602 | 0.893333 |
435 | GP2 | 0.408602 | 0.858974 |
436 | NAP | 0.408333 | 0.944444 |
437 | NOC | 0.407895 | 0.760563 |
438 | CNV FAD | 0.407407 | 0.770115 |
439 | 2ER | 0.405941 | 0.831169 |
440 | 1PR | 0.405941 | 0.820513 |
441 | P5F | 0.405797 | 0.8 |
442 | CAO | 0.404959 | 0.772727 |
443 | 30N | 0.404959 | 0.731183 |
444 | TAP | 0.404959 | 0.906667 |
445 | COS | 0.404959 | 0.781609 |
446 | AMX | 0.404959 | 0.809524 |
447 | EU9 | 0.40367 | 0.681818 |
448 | XMP | 0.402299 | 0.891892 |
449 | G2P | 0.402062 | 0.858974 |
450 | NA0 | 0.401639 | 0.931507 |
451 | CMX | 0.401639 | 0.8 |
452 | SCO | 0.401639 | 0.8 |
453 | 9JJ | 0.40146 | 0.8375 |
454 | Q2P | 0.4 | 0.690476 |
455 | N37 | 0.4 | 0.730769 |
456 | F2N | 0.4 | 0.790698 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | OSE | 0.9871 |
2 | HPV | 0.9809 |
3 | GPJ | 0.9759 |
4 | 13P | 0.9735 |
5 | MSL | 0.9693 |
6 | AKG | 0.9684 |
7 | PGH | 0.9681 |
8 | GP9 | 0.9674 |
9 | GPF | 0.9673 |
10 | LTL | 0.9653 |
11 | 2PG | 0.9635 |
12 | E4P | 0.9626 |
13 | CYX | 0.9622 |
14 | QMP | 0.9618 |
15 | OGA | 0.9601 |
16 | CHH | 0.9598 |
17 | CCE | 0.9583 |
18 | ZGL | 0.9554 |
19 | PSE | 0.9551 |
20 | ACH | 0.9550 |
21 | CCD | 0.9547 |
22 | 2HG | 0.9544 |
23 | S2G | 0.9543 |
24 | AT3 | 0.9541 |
25 | 129 | 0.9541 |
26 | DGN | 0.9528 |
27 | 7OD | 0.9528 |
28 | PMF | 0.9520 |
29 | GLU | 0.9519 |
30 | LUQ | 0.9518 |
31 | DGL | 0.9511 |
32 | 4LR | 0.9508 |
33 | GVM | 0.9506 |
34 | GLN | 0.9504 |
35 | IP8 | 0.9494 |
36 | 152 | 0.9481 |
37 | PEP | 0.9478 |
38 | NM2 | 0.9475 |
39 | 2IT | 0.9474 |
40 | 9ON | 0.9471 |
41 | 2JJ | 0.9470 |
42 | MHO | 0.9468 |
43 | DS0 | 0.9467 |
44 | 1SA | 0.9457 |
45 | 3S5 | 0.9442 |
46 | 3LR | 0.9440 |
47 | URQ | 0.9421 |
48 | 1X4 | 0.9420 |
49 | SME | 0.9408 |
50 | KPA | 0.9402 |
51 | SYC | 0.9401 |
52 | PPR | 0.9401 |
53 | PC | 0.9399 |
54 | B85 | 0.9397 |
55 | ONL | 0.9393 |
56 | GZ3 | 0.9393 |
57 | MES | 0.9388 |
58 | NM3 | 0.9384 |
59 | RNT | 0.9382 |
60 | GGL | 0.9379 |
61 | TPO | 0.9366 |
62 | RTK | 0.9364 |
63 | HPS | 0.9347 |
64 | TSU | 0.9342 |
65 | HBU | 0.9341 |
66 | G2H | 0.9340 |
67 | XSP | 0.9338 |
68 | QFJ | 0.9336 |
69 | 4NG | 0.9334 |
70 | 2FT | 0.9334 |
71 | 3SL | 0.9333 |
72 | O45 | 0.9331 |
73 | 1SH | 0.9326 |
74 | AMS | 0.9319 |
75 | GUA | 0.9318 |
76 | TIH | 0.9312 |
77 | F98 | 0.9309 |
78 | DLY | 0.9308 |
79 | LFC | 0.9307 |
80 | DHI | 0.9299 |
81 | HHI | 0.9299 |
82 | NSB | 0.9297 |
83 | KDG | 0.9295 |
84 | SG3 | 0.9294 |
85 | SPV | 0.9294 |
86 | FOM | 0.9293 |
87 | HIS | 0.9291 |
88 | KMH | 0.9286 |
89 | DYT | 0.9276 |
90 | 5XB | 0.9273 |
91 | URO | 0.9273 |
92 | DAL DAL | 0.9270 |
93 | MLE | 0.9268 |
94 | SAN | 0.9264 |
95 | P22 | 0.9262 |
96 | 8GL | 0.9259 |
97 | HFA | 0.9256 |
98 | DIR | 0.9252 |
99 | NFA | 0.9246 |
100 | B40 | 0.9245 |
101 | 7C3 | 0.9243 |
102 | 0VT | 0.9242 |
103 | RUJ | 0.9239 |
104 | DPN | 0.9238 |
105 | PAC | 0.9230 |
106 | RAT | 0.9228 |
107 | KPC | 0.9226 |
108 | 4J8 | 0.9224 |
109 | 5OY | 0.9224 |
110 | 9GB | 0.9224 |
111 | KVV | 0.9223 |
112 | SHI | 0.9223 |
113 | DHM | 0.9221 |
114 | PHE | 0.9218 |
115 | GWM | 0.9216 |
116 | PMB | 0.9212 |
117 | 4SX | 0.9210 |
118 | HF2 | 0.9208 |
119 | Q9Z | 0.9207 |
120 | MAJ | 0.9207 |
121 | FBS | 0.9205 |
122 | URP | 0.9204 |
123 | 8U3 | 0.9203 |
124 | GLY GLY | 0.9201 |
125 | HGA | 0.9199 |
126 | ALA ALA | 0.9195 |
127 | 11C | 0.9192 |
128 | AAS | 0.9191 |
129 | 4FH | 0.9190 |
130 | S2P | 0.9189 |
131 | 6JN | 0.9187 |
132 | XXG | 0.9186 |
133 | MF3 | 0.9185 |
134 | 3YP | 0.9183 |
135 | KVP | 0.9182 |
136 | BEZ | 0.9181 |
137 | SSC | 0.9179 |
138 | 9YT | 0.9177 |
139 | 51R | 0.9177 |
140 | 4WL | 0.9173 |
141 | FBW | 0.9165 |
142 | TAR | 0.9162 |
143 | AOS | 0.9161 |
144 | SYM | 0.9160 |
145 | NF3 | 0.9160 |
146 | XIZ | 0.9160 |
147 | RP3 | 0.9157 |
148 | EKZ | 0.9157 |
149 | R67 | 0.9155 |
150 | B3U | 0.9155 |
151 | PO6 | 0.9155 |
152 | OKG | 0.9153 |
153 | MUC | 0.9151 |
154 | HSO | 0.9150 |
155 | CCU | 0.9150 |
156 | NLE | 0.9148 |
157 | DZA | 0.9147 |
158 | 7N0 | 0.9147 |
159 | IZC | 0.9147 |
160 | 9J3 | 0.9146 |
161 | LYN | 0.9146 |
162 | UN1 | 0.9143 |
163 | FB2 | 0.9141 |
164 | 2AS | 0.9140 |
165 | RNS | 0.9139 |
166 | EVF | 0.9139 |
167 | OEG | 0.9139 |
168 | AL0 | 0.9136 |
169 | PBC | 0.9135 |
170 | MZT | 0.9134 |
171 | FK8 | 0.9134 |
172 | 7BC | 0.9132 |
173 | LYS | 0.9132 |
174 | TCA | 0.9131 |
175 | PCA | 0.9129 |
176 | DXG | 0.9128 |
177 | FCR | 0.9128 |
178 | TLA | 0.9128 |
179 | X1S | 0.9126 |
180 | 4NC | 0.9125 |
181 | 93K | 0.9123 |
182 | 3HG | 0.9121 |
183 | SRT | 0.9119 |
184 | DHB | 0.9119 |
185 | 9X6 | 0.9118 |
186 | DAS | 0.9112 |
187 | PZI | 0.9110 |
188 | QY9 | 0.9110 |
189 | HIC | 0.9110 |
190 | GLO | 0.9109 |
191 | MEQ | 0.9109 |
192 | 36E | 0.9108 |
193 | HCI | 0.9108 |
194 | SD4 | 0.9107 |
195 | HL5 | 0.9106 |
196 | R2P | 0.9102 |
197 | BEN | 0.9101 |
198 | ORN | 0.9100 |
199 | 0L1 | 0.9099 |
200 | 4HP | 0.9098 |
201 | OVV | 0.9097 |
202 | 8K2 | 0.9097 |
203 | OHP | 0.9096 |
204 | CS2 | 0.9093 |
205 | 3OC | 0.9092 |
206 | CFI | 0.9091 |
207 | GAB | 0.9091 |
208 | GJZ | 0.9090 |
209 | ASP | 0.9088 |
210 | MET | 0.9088 |
211 | LX1 | 0.9087 |
212 | 3HB | 0.9087 |
213 | X0V | 0.9085 |
214 | MYJ | 0.9085 |
215 | AFS | 0.9083 |
216 | K7M | 0.9082 |
217 | R9S | 0.9082 |
218 | MLT | 0.9081 |
219 | 4P5 | 0.9080 |
220 | 3PP | 0.9079 |
221 | CXP | 0.9079 |
222 | GCO | 0.9078 |
223 | FOC | 0.9078 |
224 | XYL | 0.9076 |
225 | RB5 | 0.9076 |
226 | RB0 | 0.9076 |
227 | INO | 0.9076 |
228 | 4LW | 0.9073 |
229 | MED | 0.9073 |
230 | S8V | 0.9072 |
231 | MAH | 0.9071 |
232 | M45 | 0.9071 |
233 | ASN | 0.9071 |
234 | BAM | 0.9069 |
235 | ESX | 0.9068 |
236 | 7UC | 0.9068 |
237 | LEU | 0.9067 |
238 | TPA | 0.9064 |
239 | M4S | 0.9063 |
240 | 2HO | 0.9063 |
241 | OOG | 0.9061 |
242 | ESP | 0.9060 |
243 | A3M | 0.9060 |
244 | RBL | 0.9059 |
245 | ISZ | 0.9059 |
246 | K5W | 0.9058 |
247 | FB1 | 0.9057 |
248 | DAR | 0.9057 |
249 | 8EW | 0.9057 |
250 | R9M | 0.9053 |
251 | PSJ | 0.9053 |
252 | 4ZA | 0.9053 |
253 | EOU | 0.9052 |
254 | 3QM | 0.9051 |
255 | SJ5 | 0.9050 |
256 | AOT | 0.9050 |
257 | MHN | 0.9049 |
258 | P9P | 0.9049 |
259 | PPY | 0.9048 |
260 | PHU | 0.9045 |
261 | ASC | 0.9045 |
262 | XCZ | 0.9044 |
263 | BHU | 0.9044 |
264 | ACA | 0.9043 |
265 | 6PC | 0.9043 |
266 | PAH | 0.9042 |
267 | M4T | 0.9042 |
268 | NCA | 0.9042 |
269 | 9RW | 0.9039 |
270 | Q02 | 0.9039 |
271 | QSB | 0.9036 |
272 | J0Z | 0.9035 |
273 | HPN | 0.9033 |
274 | CRN | 0.9032 |
275 | 3NT | 0.9032 |
276 | MTL | 0.9031 |
277 | N4B | 0.9029 |
278 | SAF | 0.9027 |
279 | 1AE | 0.9026 |
280 | 268 | 0.9026 |
281 | NIO | 0.9026 |
282 | PAB | 0.9025 |
283 | NYL | 0.9025 |
284 | 98J | 0.9025 |
285 | PIY | 0.9024 |
286 | NPO | 0.9024 |
287 | RSO | 0.9024 |
288 | IOM | 0.9023 |
289 | ONH | 0.9022 |
290 | LMR | 0.9021 |
291 | TYL | 0.9019 |
292 | URS | 0.9019 |
293 | I38 | 0.9017 |
294 | BHO | 0.9017 |
295 | 53C | 0.9016 |
296 | SPA | 0.9016 |
297 | 41K | 0.9016 |
298 | K6V | 0.9016 |
299 | IXW | 0.9014 |
300 | CHB | 0.9014 |
301 | 2D8 | 0.9012 |
302 | BNF | 0.9011 |
303 | 173 | 0.9011 |
304 | DCO | 0.9011 |
305 | FM4 | 0.9010 |
306 | SMN | 0.9010 |
307 | 2O6 | 0.9009 |
308 | AEG | 0.9009 |
309 | AHN | 0.9009 |
310 | TIU | 0.9008 |
311 | 3FH | 0.9007 |
312 | HYP | 0.9006 |
313 | 8OZ | 0.9005 |
314 | OAA | 0.9004 |
315 | 4LV | 0.9004 |
316 | OEM | 0.9002 |
317 | OAF | 0.9002 |
318 | RMN | 0.9002 |
319 | J9N | 0.9001 |
320 | I4B | 0.9001 |
321 | M74 | 0.8998 |
322 | ROR | 0.8998 |
323 | HSX | 0.8998 |
324 | SOR | 0.8997 |
325 | ITN | 0.8997 |
326 | PHB | 0.8995 |
327 | 5LD | 0.8994 |
328 | UNU | 0.8991 |
329 | HY1 | 0.8991 |
330 | MSR | 0.8991 |
331 | KMT | 0.8991 |
332 | JAW | 0.8987 |
333 | FBM | 0.8987 |
334 | 2HC | 0.8986 |
335 | HX4 | 0.8985 |
336 | PRA | 0.8985 |
337 | 5WZ | 0.8984 |
338 | P7Y | 0.8983 |
339 | PIM | 0.8983 |
340 | A5E | 0.8983 |
341 | ARG | 0.8981 |
342 | SKG | 0.8981 |
343 | SHV | 0.8978 |
344 | SDD | 0.8978 |
345 | EDR | 0.8978 |
346 | P80 | 0.8977 |
347 | AHB | 0.8977 |
348 | TEO | 0.8976 |
349 | Q07 | 0.8976 |
350 | NCT | 0.8975 |
351 | AG2 | 0.8973 |
352 | AC6 | 0.8973 |
353 | BHH | 0.8972 |
354 | DHS | 0.8972 |
355 | F9P | 0.8971 |
356 | ORO | 0.8967 |
357 | 49F | 0.8965 |
358 | 6FZ | 0.8964 |
359 | IHB | 0.8964 |
360 | 3AB | 0.8964 |
361 | 9TW | 0.8964 |
362 | 449 | 0.8963 |
363 | IVL | 0.8961 |
364 | 2BX | 0.8960 |
365 | 9SE | 0.8960 |
366 | Q03 | 0.8960 |
367 | 0HN | 0.8960 |
368 | XX2 | 0.8958 |
369 | 1F1 | 0.8958 |
370 | GLR | 0.8957 |
371 | HJH | 0.8957 |
372 | 4CS | 0.8956 |
373 | DBH | 0.8956 |
374 | GZL | 0.8955 |
375 | OK7 | 0.8954 |
376 | ICB | 0.8953 |
377 | LNO | 0.8952 |
378 | 6NT | 0.8950 |
379 | AMQ | 0.8950 |
380 | 2ZM | 0.8950 |
381 | J9T | 0.8948 |
382 | SNU | 0.8945 |
383 | QDK | 0.8945 |
384 | 3BU | 0.8943 |
385 | 7WG | 0.8942 |
386 | 4MA | 0.8942 |
387 | 6TZ | 0.8941 |
388 | IFP | 0.8941 |
389 | SS1 | 0.8941 |
390 | ILO | 0.8940 |
391 | GRF | 0.8939 |
392 | NIZ | 0.8939 |
393 | DE5 | 0.8938 |
394 | LPK | 0.8938 |
395 | GRO | 0.8938 |
396 | BL0 | 0.8937 |
397 | P72 | 0.8936 |
398 | TZP | 0.8934 |
399 | F4E | 0.8934 |
400 | ABF | 0.8933 |
401 | 650 | 0.8933 |
402 | 6NI | 0.8932 |
403 | DOR | 0.8931 |
404 | LLQ | 0.8931 |
405 | CMS | 0.8930 |
406 | 5DL | 0.8929 |
407 | YCP | 0.8928 |
408 | COI | 0.8927 |
409 | DHY | 0.8926 |
410 | QUS | 0.8926 |
411 | RP5 | 0.8925 |
412 | 2CO | 0.8925 |
413 | P58 | 0.8925 |
414 | BZ2 | 0.8924 |
415 | R20 | 0.8924 |
416 | E79 | 0.8924 |
417 | PBA | 0.8923 |
418 | 5NI | 0.8922 |
419 | C5A | 0.8920 |
420 | 1FD | 0.8919 |
421 | HIO | 0.8919 |
422 | JDN | 0.8918 |
423 | L14 | 0.8917 |
424 | MJ2 | 0.8917 |
425 | OMD | 0.8916 |
426 | L5V | 0.8915 |
427 | BNL | 0.8915 |
428 | HHH | 0.8915 |
429 | 3C4 | 0.8915 |
430 | KTA | 0.8915 |
431 | SOL | 0.8915 |
432 | XUL | 0.8914 |
433 | 0OC | 0.8914 |
434 | CPZ | 0.8913 |
435 | 4TB | 0.8913 |
436 | S7A | 0.8913 |
437 | APG | 0.8912 |
438 | PBZ | 0.8912 |
439 | M6H | 0.8911 |
440 | UFV | 0.8910 |
441 | PH3 | 0.8910 |
442 | 3HP | 0.8910 |
443 | MD0 | 0.8909 |
444 | M58 | 0.8909 |
445 | 1DV | 0.8908 |
446 | PRO GLY | 0.8907 |
447 | RHU | 0.8907 |
448 | 0A9 | 0.8904 |
449 | EN1 | 0.8904 |
450 | PLU | 0.8903 |
451 | 4JC | 0.8902 |
452 | ENV | 0.8901 |
453 | DQY | 0.8899 |
454 | QSC | 0.8897 |
455 | FA1 | 0.8896 |
456 | NLP | 0.8895 |
457 | 2RH | 0.8895 |
458 | XRX | 0.8894 |
459 | LQ2 | 0.8893 |
460 | JB8 | 0.8892 |
461 | 3NY | 0.8892 |
462 | LY0 | 0.8892 |
463 | DII | 0.8891 |
464 | BRH | 0.8891 |
465 | P9E | 0.8891 |
466 | 36Y | 0.8891 |
467 | PEL | 0.8890 |
468 | A13 | 0.8890 |
469 | PHI | 0.8890 |
470 | 1BN | 0.8890 |
471 | 4NZ | 0.8889 |
472 | G8M | 0.8889 |
473 | FBV | 0.8889 |
474 | K6H | 0.8888 |
475 | 7A8 | 0.8888 |
476 | SKF | 0.8888 |
477 | MEV | 0.8888 |
478 | 1L5 | 0.8887 |
479 | Q04 | 0.8887 |
480 | HHA | 0.8887 |
481 | 1Y6 | 0.8885 |
482 | SVD | 0.8885 |
483 | HDH | 0.8885 |
484 | PFF | 0.8883 |
485 | SIN | 0.8883 |
486 | A09 | 0.8882 |
487 | OCA | 0.8881 |
488 | HPP | 0.8881 |
489 | CIZ | 0.8880 |
490 | TYR | 0.8879 |
491 | DTY | 0.8879 |
492 | TAG | 0.8878 |
493 | TYE | 0.8878 |
494 | AZM | 0.8878 |
495 | LR5 | 0.8877 |
496 | IAC | 0.8876 |
497 | TZF | 0.8874 |
498 | 6OT | 0.8873 |
499 | LVD | 0.8873 |
500 | FBU | 0.8872 |
501 | K34 | 0.8871 |
502 | HQJ | 0.8871 |
503 | JYD | 0.8871 |
504 | 258 | 0.8871 |
505 | HL4 | 0.8871 |
506 | Z82 | 0.8870 |
507 | ANN | 0.8870 |
508 | IOS | 0.8870 |
509 | 8SZ | 0.8870 |
510 | HDL | 0.8870 |
511 | LLH | 0.8869 |
512 | FBF | 0.8868 |
513 | 61M | 0.8868 |
514 | PNZ | 0.8868 |
515 | 3MV | 0.8866 |
516 | N9J | 0.8866 |
517 | UGC | 0.8865 |
518 | GOJ | 0.8864 |
519 | 3BZ | 0.8864 |
520 | 3AE | 0.8863 |
521 | L99 | 0.8863 |
522 | CXF | 0.8862 |
523 | 5FX | 0.8862 |
524 | 88L | 0.8862 |
525 | GLL | 0.8860 |
526 | DBX | 0.8860 |
527 | FAN | 0.8860 |
528 | GYE | 0.8859 |
529 | 911 | 0.8858 |
530 | GLY ALA | 0.8857 |
531 | DI6 | 0.8857 |
532 | EHM | 0.8856 |
533 | MP5 | 0.8855 |
534 | HBD | 0.8855 |
535 | BTM | 0.8852 |
536 | 069 | 0.8851 |
537 | LT2 | 0.8849 |
538 | PAF | 0.8848 |
539 | Q06 | 0.8847 |
540 | IWT | 0.8847 |
541 | ASO | 0.8846 |
542 | F06 | 0.8846 |
543 | KBZ | 0.8846 |
544 | CIR | 0.8845 |
545 | 40E | 0.8845 |
546 | D1X | 0.8845 |
547 | BNS | 0.8844 |
548 | SKM | 0.8842 |
549 | 3A9 | 0.8841 |
550 | X1R | 0.8841 |
551 | FUD | 0.8840 |
552 | YZM | 0.8840 |
553 | 2AL | 0.8840 |
554 | 1P3 | 0.8840 |
555 | 4NB | 0.8839 |
556 | CLT | 0.8839 |
557 | PPT | 0.8839 |
558 | 3PO | 0.8839 |
559 | MPV | 0.8837 |
560 | LSQ | 0.8837 |
561 | SS2 | 0.8837 |
562 | 3PF | 0.8836 |
563 | KOJ | 0.8836 |
564 | S7J | 0.8836 |
565 | OTR | 0.8836 |
566 | 4PN | 0.8835 |
567 | GGB | 0.8835 |
568 | SNE | 0.8834 |
569 | 0BP | 0.8834 |
570 | DLT | 0.8834 |
571 | M3H | 0.8832 |
572 | LNR | 0.8832 |
573 | GVG | 0.8832 |
574 | HC4 | 0.8831 |
575 | E5X | 0.8831 |
576 | XM0 | 0.8830 |
577 | PIS | 0.8830 |
578 | ABI | 0.8828 |
579 | A29 | 0.8827 |
580 | NNO | 0.8826 |
581 | 6DP | 0.8826 |
582 | NXA | 0.8825 |
583 | KBB | 0.8823 |
584 | 3CR | 0.8823 |
585 | XLS | 0.8822 |
586 | 0HO | 0.8821 |
587 | GDE | 0.8821 |
588 | FQI | 0.8820 |
589 | 4A3 | 0.8817 |
590 | 2F6 | 0.8816 |
591 | ISA | 0.8815 |
592 | 97T | 0.8815 |
593 | HYA | 0.8813 |
594 | LGT | 0.8811 |
595 | C1M | 0.8811 |
596 | 1DJ | 0.8810 |
597 | KPL | 0.8809 |
598 | MSE | 0.8808 |
599 | TX4 | 0.8808 |
600 | RJY | 0.8806 |
601 | OXC | 0.8806 |
602 | SHO | 0.8805 |
603 | XXP | 0.8805 |
604 | NMJ | 0.8804 |
605 | J9Q | 0.8804 |
606 | EXD | 0.8804 |
607 | DMV | 0.8802 |
608 | PEA | 0.8801 |
609 | 7VP | 0.8796 |
610 | SW7 | 0.8794 |
611 | FHB | 0.8794 |
612 | 8WO | 0.8793 |
613 | ISD | 0.8791 |
614 | 6NA | 0.8790 |
615 | SOE | 0.8788 |
616 | MDN | 0.8787 |
617 | ALE | 0.8787 |
618 | AM4 | 0.8786 |
619 | CNL | 0.8786 |
620 | 9RH | 0.8786 |
621 | HNK | 0.8785 |
622 | WCE | 0.8785 |
623 | DHK | 0.8784 |
624 | MVH | 0.8784 |
625 | P81 | 0.8783 |
626 | JF6 | 0.8782 |
627 | MAE | 0.8780 |
628 | 271 | 0.8779 |
629 | AMH | 0.8779 |
630 | HTX | 0.8779 |
631 | API | 0.8778 |
632 | POP | 0.8777 |
633 | PPV | 0.8776 |
634 | KYN | 0.8775 |
635 | 6LW | 0.8775 |
636 | 263 | 0.8774 |
637 | 2HU | 0.8774 |
638 | TEG | 0.8771 |
639 | YRL | 0.8770 |
640 | FV1 | 0.8769 |
641 | AHC | 0.8768 |
642 | FSG | 0.8767 |
643 | LAO | 0.8767 |
644 | PG0 | 0.8767 |
645 | UA5 | 0.8764 |
646 | MXN | 0.8764 |
647 | FUM | 0.8763 |
648 | PEZ | 0.8762 |
649 | 3HM | 0.8761 |
650 | S0W | 0.8760 |
651 | 4CM | 0.8759 |
652 | 6M4 | 0.8759 |
653 | SC2 | 0.8758 |
654 | ICF | 0.8758 |
655 | 52C | 0.8758 |
656 | 3V4 | 0.8758 |
657 | 2PN | 0.8757 |
658 | AEF | 0.8756 |
659 | CH9 | 0.8755 |
660 | XDK | 0.8754 |
661 | 23J | 0.8753 |
662 | VKC | 0.8752 |
663 | YOF | 0.8752 |
664 | AHR | 0.8750 |
665 | DA4 | 0.8749 |
666 | ZXD | 0.8749 |
667 | BPN | 0.8748 |
668 | XYH | 0.8746 |
669 | X8Z | 0.8744 |
670 | 92K | 0.8741 |
671 | S24 | 0.8741 |
672 | JLZ | 0.8741 |
673 | DAV | 0.8740 |
674 | 0CG | 0.8738 |
675 | 4MV | 0.8737 |
676 | ENO | 0.8736 |
677 | TZE | 0.8735 |
678 | 2LP | 0.8735 |
679 | QIC | 0.8735 |
680 | GBN | 0.8734 |
681 | 826 | 0.8733 |
682 | Y4L | 0.8732 |
683 | TMH | 0.8732 |
684 | LDP | 0.8731 |
685 | X1P | 0.8731 |
686 | N8P | 0.8730 |
687 | ILE | 0.8730 |
688 | CIT | 0.8729 |
689 | 5LA | 0.8729 |
690 | I1E | 0.8728 |
691 | JRB | 0.8724 |
692 | Z13 | 0.8723 |
693 | CFA | 0.8723 |
694 | KDF | 0.8722 |
695 | HA5 | 0.8721 |
696 | VGL | 0.8721 |
697 | HQ9 | 0.8720 |
698 | RLG | 0.8717 |
699 | HNL | 0.8717 |
700 | FEH | 0.8717 |
701 | PCT | 0.8716 |
702 | 4V2 | 0.8715 |
703 | 54D | 0.8714 |
704 | YPN | 0.8714 |
705 | ZBT | 0.8712 |
706 | RBJ | 0.8711 |
707 | E0O | 0.8711 |
708 | 4BZ | 0.8710 |
709 | HX2 | 0.8707 |
710 | SNO | 0.8707 |
711 | SN4 | 0.8706 |
712 | CDV | 0.8706 |
713 | STT | 0.8705 |
714 | 16D | 0.8705 |
715 | 717 | 0.8704 |
716 | 7MU | 0.8703 |
717 | SHF | 0.8702 |
718 | 92G | 0.8701 |
719 | 4FA | 0.8701 |
720 | FHC | 0.8701 |
721 | AVI | 0.8698 |
722 | L22 | 0.8698 |
723 | A5P | 0.8697 |
724 | MT2 | 0.8697 |
725 | 3AL | 0.8696 |
726 | 56D | 0.8696 |
727 | XRG | 0.8695 |
728 | RNO | 0.8695 |
729 | 9FE | 0.8694 |
730 | 505 | 0.8693 |
731 | RUY | 0.8692 |
732 | 1LN | 0.8692 |
733 | RIB | 0.8689 |
734 | PJL | 0.8689 |
735 | 8GC | 0.8688 |
736 | KTW | 0.8688 |
737 | HDA | 0.8687 |
738 | MZM | 0.8685 |
739 | 5HN | 0.8682 |
740 | PG3 | 0.8682 |
741 | H95 | 0.8681 |
742 | FLC | 0.8680 |
743 | 2EH | 0.8679 |
744 | FP1 | 0.8677 |
745 | PKU | 0.8675 |
746 | DHC | 0.8675 |
747 | ESI | 0.8672 |
748 | NK1 | 0.8670 |
749 | BDF | 0.8668 |
750 | FBJ | 0.8667 |
751 | F31 | 0.8667 |
752 | OVM | 0.8666 |
753 | 2NP | 0.8664 |
754 | 1PS | 0.8664 |
755 | 1A7 | 0.8663 |
756 | 9BF | 0.8663 |
757 | LCN | 0.8663 |
758 | 4XV | 0.8663 |
759 | 2BG | 0.8661 |
760 | 4NM | 0.8660 |
761 | EYK | 0.8658 |
762 | 4RW | 0.8657 |
763 | DMJ | 0.8657 |
764 | EUE | 0.8656 |
765 | GO2 | 0.8655 |
766 | PD2 | 0.8655 |
767 | TZM | 0.8650 |
768 | THE | 0.8650 |
769 | XBT | 0.8650 |
770 | UY7 | 0.8650 |
771 | ZZU | 0.8649 |
772 | 4P0 | 0.8649 |
773 | HZP | 0.8649 |
774 | GTK | 0.8648 |
775 | 174 | 0.8646 |
776 | EYV | 0.8645 |
777 | TT4 | 0.8645 |
778 | HSE | 0.8645 |
779 | PTO | 0.8643 |
780 | DX5 | 0.8642 |
781 | CXH | 0.8641 |
782 | 5XC | 0.8641 |
783 | MNN | 0.8640 |
784 | FCN | 0.8638 |
785 | M44 | 0.8637 |
786 | PDC | 0.8637 |
787 | 0JD | 0.8636 |
788 | JZ7 | 0.8636 |
789 | S0E | 0.8635 |
790 | 1WC | 0.8635 |
791 | F12 | 0.8634 |
792 | 1M2 | 0.8634 |
793 | AI2 | 0.8633 |
794 | DHR | 0.8633 |
795 | HSM | 0.8632 |
796 | TZL | 0.8629 |
797 | PJW | 0.8629 |
798 | 791 | 0.8628 |
799 | BZ3 | 0.8628 |
800 | TNE | 0.8624 |
801 | 40F | 0.8623 |
802 | GVY | 0.8623 |
803 | 3ID | 0.8622 |
804 | XYS | 0.8622 |
805 | NMG | 0.8621 |
806 | OPE | 0.8620 |
807 | N2Z | 0.8619 |
808 | 264 | 0.8617 |
809 | FAC | 0.8617 |
810 | BSX | 0.8617 |
811 | 1Z6 | 0.8613 |
812 | MAN | 0.8610 |
813 | IT9 | 0.8610 |
814 | OXZ | 0.8604 |
815 | UYA | 0.8600 |
816 | JFJ | 0.8598 |
817 | C82 | 0.8597 |
818 | 15N | 0.8597 |
819 | AC0 | 0.8594 |
820 | KNA | 0.8594 |
821 | DCL | 0.8593 |
822 | 3MB | 0.8593 |
823 | RIP | 0.8592 |
824 | RUU | 0.8591 |
825 | 1XA | 0.8590 |
826 | H42 | 0.8590 |
827 | DDU | 0.8589 |
828 | M6W | 0.8589 |
829 | 0W1 | 0.8585 |
830 | 261 | 0.8584 |
831 | F4K | 0.8582 |
832 | BVA | 0.8581 |
833 | AX3 | 0.8581 |
834 | IFL | 0.8579 |
835 | CEE | 0.8578 |
836 | 3IT | 0.8577 |
837 | M5E | 0.8575 |
838 | 7VD | 0.8574 |
839 | JZ4 | 0.8573 |
840 | 0MK | 0.8573 |
841 | GXL | 0.8572 |
842 | A9P | 0.8572 |
843 | 428 | 0.8569 |
844 | I3E | 0.8564 |
845 | TB6 | 0.8563 |
846 | 3ZB | 0.8560 |
847 | 6KT | 0.8559 |
848 | 6CS | 0.8559 |
849 | PRZ | 0.8558 |
850 | ONR | 0.8551 |
851 | 259 | 0.8547 |
852 | XQI | 0.8546 |
853 | GG6 | 0.8542 |
854 | UNJ | 0.8536 |
855 | BRT | 0.8533 |
856 | 9X7 | 0.8525 |
857 | 4HM | 0.8513 |
858 | 46P | 0.8507 |
859 | DQA | 0.8506 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IRP | 0.9883 |
2 | DI | 0.9755 |
3 | 8OP | 0.9715 |
4 | IMU | 0.9698 |
5 | TKW | 0.9696 |
6 | MZP | 0.9690 |
7 | PFU | 0.9673 |
8 | 5FU | 0.9664 |
9 | DG | 0.9620 |
10 | 6MA | 0.9618 |
11 | 6CG | 0.9613 |
12 | U5P | 0.9607 |
13 | DGP | 0.9601 |
14 | PSU | 0.9555 |
15 | C5P | 0.9513 |
16 | FDM | 0.9499 |
17 | TMP | 0.9498 |
18 | 5BU | 0.9493 |
19 | QBT | 0.9492 |
20 | FNU | 0.9488 |
21 | 8GM | 0.9484 |
22 | UFP | 0.9484 |
23 | NYM | 0.9477 |
24 | 5HM | 0.9472 |
25 | 6OG | 0.9471 |
26 | 5CM | 0.9461 |
27 | 16B | 0.9451 |
28 | FN5 | 0.9442 |
29 | NCN | 0.9424 |
30 | C | 0.9418 |
31 | 9L3 | 0.9417 |
32 | Z8B | 0.9410 |
33 | UP6 | 0.9400 |
34 | NMN | 0.9397 |
35 | H2U | 0.9395 |
36 | ICR | 0.9389 |
37 | BMP | 0.9380 |
38 | UMP | 0.9373 |
39 | U | 0.9368 |
40 | BRU | 0.9365 |
41 | CH | 0.9364 |
42 | BMQ | 0.9360 |
43 | MTH | 0.9360 |
44 | 8OG | 0.9356 |
45 | MTM | 0.9347 |
46 | CNU | 0.9342 |
47 | MTI | 0.9342 |
48 | 6SW | 0.9342 |
49 | D4M | 0.9334 |
50 | 2DT | 0.9334 |
51 | UMC | 0.9304 |
52 | CAR | 0.9298 |
53 | 5IU | 0.9287 |
54 | 5HU | 0.9283 |
55 | O7E | 0.9281 |
56 | DCM | 0.9270 |
57 | KB7 | 0.9270 |
58 | DU | 0.9269 |
59 | DC | 0.9269 |
60 | NUP | 0.9238 |
61 | 7CH | 0.9219 |
62 | DDN | 0.9211 |
63 | MCF | 0.9205 |
64 | PCG | 0.9201 |
65 | O8M | 0.9197 |
66 | DUS | 0.9192 |
67 | U6M | 0.9180 |
68 | S5P | 0.9167 |
69 | DOC | 0.9149 |
70 | 3F5 | 0.9146 |
71 | 6SX | 0.9133 |
72 | U4S | 0.9101 |
73 | 35G | 0.9100 |
74 | N8M | 0.9089 |
75 | 6CN | 0.9083 |
76 | CDP | 0.9080 |
77 | T3S | 0.9079 |
78 | U1S | 0.9071 |
79 | MTE | 0.9067 |
80 | U2S | 0.9058 |
81 | DBM | 0.9053 |
82 | BVP | 0.9052 |
83 | 4X2 | 0.9040 |
84 | ATM | 0.9025 |
85 | SB8 | 0.9022 |
86 | INR | 0.9008 |
87 | UA2 | 0.9007 |
88 | A8M | 0.9006 |
89 | IMH | 0.9006 |
90 | TAL | 0.8998 |
91 | SSI | 0.8986 |
92 | U3S | 0.8983 |
93 | 1B6 | 0.8972 |
94 | 3Q1 | 0.8972 |
95 | TBN | 0.8968 |
96 | NOS | 0.8966 |
97 | IXF | 0.8952 |
98 | AD3 | 0.8932 |
99 | 1BJ | 0.8932 |
100 | SU1 | 0.8927 |
101 | 43J | 0.8924 |
102 | 6SY | 0.8920 |
103 | 9ZS | 0.8918 |
104 | IDP | 0.8918 |
105 | 6SZ | 0.8915 |
106 | JW5 | 0.8914 |
107 | OMP | 0.8905 |
108 | CC7 | 0.8903 |
109 | T7O | 0.8893 |
110 | 6AU | 0.8887 |
111 | PRH | 0.8871 |
112 | HPR | 0.8871 |
113 | 2GE | 0.8871 |
114 | 3Q2 | 0.8869 |
115 | FMC | 0.8862 |
116 | ARJ | 0.8861 |
117 | 9DI | 0.8859 |
118 | GNH | 0.8855 |
119 | 3Q0 | 0.8849 |
120 | GMP | 0.8848 |
121 | FMB | 0.8845 |
122 | 4EZ | 0.8839 |
123 | K8W | 0.8831 |
124 | UM3 | 0.8830 |
125 | MI1 | 0.8828 |
126 | 5ID | 0.8815 |
127 | NVV | 0.8812 |
128 | HDU | 0.8812 |
129 | 43G | 0.8808 |
130 | UDP | 0.8793 |
131 | CFE | 0.8793 |
132 | FTU | 0.8791 |
133 | HMK | 0.8787 |
134 | 5FD | 0.8778 |
135 | DN8 | 0.8777 |
136 | 72H | 0.8776 |
137 | 7CU | 0.8776 |
138 | 2OM | 0.8774 |
139 | CZV | 0.8771 |
140 | FSB | 0.8768 |
141 | HGH | 0.8760 |
142 | DOI | 0.8756 |
143 | 3BH | 0.8754 |
144 | XYP TRS XYP | 0.8748 |
145 | FGN | 0.8746 |
146 | 5NB | 0.8741 |
147 | LRT | 0.8737 |
148 | M7G | 0.8735 |
149 | NYZ | 0.8731 |
150 | 3RA | 0.8725 |
151 | MSS | 0.8719 |
152 | TXS | 0.8712 |
153 | 8OD | 0.8710 |
154 | S1Z | 0.8709 |
155 | 4ZK | 0.8706 |
156 | L0F | 0.8706 |
157 | IYX | 0.8702 |
158 | GOW | 0.8702 |
159 | EKH | 0.8698 |
160 | CQU | 0.8694 |
161 | KFS | 0.8692 |
162 | 0NL | 0.8691 |
163 | T3P | 0.8690 |
164 | F2B | 0.8690 |
165 | 4K9 | 0.8689 |
166 | PWH | 0.8686 |
167 | CL9 | 0.8686 |
168 | GQE | 0.8681 |
169 | P1S | 0.8676 |
170 | SNI | 0.8676 |
171 | 9ST | 0.8674 |
172 | GAR | 0.8673 |
173 | 566 | 0.8671 |
174 | DGI | 0.8669 |
175 | 9ME | 0.8666 |
176 | RVA | 0.8664 |
177 | H4H | 0.8662 |
178 | SBW | 0.8659 |
179 | 9W8 | 0.8653 |
180 | 2HW | 0.8653 |
181 | BSB | 0.8653 |
182 | GNG | 0.8644 |
183 | TDI | 0.8643 |
184 | MDR | 0.8641 |
185 | 6HW | 0.8634 |
186 | 460 | 0.8634 |
187 | T61 | 0.8631 |
188 | C1Y | 0.8627 |
189 | HLN | 0.8624 |
190 | 43H | 0.8621 |
191 | TYD | 0.8615 |
192 | IXE | 0.8613 |
193 | 66P | 0.8609 |
194 | I0D | 0.8609 |
195 | MG7 | 0.8608 |
196 | MHR | 0.8608 |
197 | JY5 | 0.8606 |
198 | 4UB | 0.8600 |
199 | CC2 | 0.8599 |
200 | JZJ | 0.8598 |
201 | F13 | 0.8595 |
202 | PDB | 0.8588 |
203 | 517 | 0.8585 |
204 | BHF | 0.8579 |
205 | IWH | 0.8576 |
206 | XYS AZI XYS | 0.8571 |
207 | 9X0 | 0.8566 |
208 | KKE | 0.8563 |
209 | 9RK | 0.8559 |
210 | VAL TRP | 0.8553 |
211 | 4F0 | 0.8553 |
212 | IYZ | 0.8549 |
213 | FKJ | 0.8547 |
214 | 361 | 0.8538 |
215 | E44 | 0.8526 |
216 | E3Y | 0.8504 |
This union binding pocket(no: 1) in the query (biounit: 4o33.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4o33.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |