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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 58 families. | |||||
1 | 4IWN | - | GEK | C16 H22 N6 O7 S | c1nc(c2c(n.... |
2 | 1IM8 | - | SAI | C14 H20 N6 O5 Se | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 51 families. | |||||
1 | 4IWN | - | GEK | C16 H22 N6 O7 S | c1nc(c2c(n.... |
2 | 1IM8 | - | SAI | C14 H20 N6 O5 Se | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GEK | 1 | 1 |
2 | S7M | 0.62766 | 0.931507 |
3 | SAM | 0.612903 | 0.931507 |
4 | M2T | 0.571429 | 0.837838 |
5 | S4M | 0.549451 | 0.846154 |
6 | SMM | 0.545455 | 0.894737 |
7 | ADN | 0.52439 | 0.805556 |
8 | RAB | 0.52439 | 0.805556 |
9 | XYA | 0.52439 | 0.805556 |
10 | 5CD | 0.52381 | 0.816901 |
11 | A4D | 0.52381 | 0.830986 |
12 | EP4 | 0.523256 | 0.786667 |
13 | 5N5 | 0.511905 | 0.805556 |
14 | 4AD | 0.509615 | 0.810127 |
15 | 5X8 | 0.505155 | 0.927536 |
16 | DTA | 0.5 | 0.821918 |
17 | SA8 | 0.494949 | 0.878378 |
18 | SAI | 0.49 | 0.915493 |
19 | SAH | 0.49 | 0.956522 |
20 | SFG | 0.489796 | 0.913043 |
21 | 3DH | 0.483516 | 0.833333 |
22 | 5AL | 0.480392 | 0.772152 |
23 | EEM | 0.480392 | 0.88 |
24 | NEC | 0.478723 | 0.756757 |
25 | MTA | 0.477778 | 0.833333 |
26 | NVA LMS | 0.476636 | 0.741573 |
27 | DAL AMP | 0.47619 | 0.794872 |
28 | A2D | 0.473684 | 0.7375 |
29 | ZAS | 0.473118 | 0.8 |
30 | AMP | 0.473118 | 0.734177 |
31 | LMS | 0.473118 | 0.709302 |
32 | A | 0.473118 | 0.734177 |
33 | SRP | 0.471154 | 0.797468 |
34 | 8LH | 0.471154 | 0.753086 |
35 | GAP | 0.470588 | 0.78481 |
36 | SON | 0.469388 | 0.797468 |
37 | A7D | 0.469388 | 0.887324 |
38 | SRA | 0.468085 | 0.719512 |
39 | 6RE | 0.468085 | 0.815789 |
40 | NSS | 0.46729 | 0.747126 |
41 | CA0 | 0.464646 | 0.7625 |
42 | AP2 | 0.463918 | 0.753086 |
43 | A12 | 0.463918 | 0.753086 |
44 | BA3 | 0.463918 | 0.7375 |
45 | ME8 | 0.463636 | 0.804878 |
46 | DSH | 0.463158 | 0.876712 |
47 | 62X | 0.462963 | 0.822785 |
48 | ARG AMP | 0.46087 | 0.77381 |
49 | G5A | 0.460784 | 0.727273 |
50 | KG4 | 0.46 | 0.7625 |
51 | 50T | 0.46 | 0.707317 |
52 | B4P | 0.459184 | 0.7375 |
53 | 5AS | 0.459184 | 0.67033 |
54 | ADP | 0.459184 | 0.7375 |
55 | AP5 | 0.459184 | 0.7375 |
56 | K15 | 0.458716 | 0.844156 |
57 | LEU LMS | 0.458716 | 0.722222 |
58 | ABM | 0.458333 | 0.716049 |
59 | J7C | 0.458333 | 0.802632 |
60 | 45A | 0.458333 | 0.716049 |
61 | 8QN | 0.457944 | 0.772152 |
62 | TYR AMP | 0.45614 | 0.810127 |
63 | ADP MG | 0.454545 | 0.779221 |
64 | LAD | 0.454545 | 0.802469 |
65 | AN2 | 0.454545 | 0.728395 |
66 | 0UM | 0.453704 | 0.842105 |
67 | PAJ | 0.453704 | 0.717647 |
68 | AMO | 0.453704 | 0.797468 |
69 | GJV | 0.453608 | 0.805195 |
70 | NVA 2AD | 0.45098 | 0.84 |
71 | SAP | 0.45098 | 0.722892 |
72 | AD9 | 0.45098 | 0.719512 |
73 | AGS | 0.45098 | 0.722892 |
74 | APC MG | 0.45098 | 0.782051 |
75 | SXZ | 0.45045 | 0.905405 |
76 | MAO | 0.44898 | 0.768293 |
77 | AOC | 0.447917 | 0.808219 |
78 | A5A | 0.447619 | 0.712644 |
79 | KB1 | 0.446429 | 0.866667 |
80 | ACP | 0.445545 | 0.740741 |
81 | HEJ | 0.445545 | 0.7375 |
82 | ATP | 0.445545 | 0.7375 |
83 | 9ZA | 0.444444 | 0.73494 |
84 | 9ZD | 0.444444 | 0.73494 |
85 | SSA | 0.443396 | 0.727273 |
86 | A3N | 0.443299 | 0.797297 |
87 | AR6 | 0.441176 | 0.759494 |
88 | APC | 0.441176 | 0.753086 |
89 | PRX | 0.441176 | 0.719512 |
90 | AQP | 0.441176 | 0.7375 |
91 | 5FA | 0.441176 | 0.7375 |
92 | APR | 0.441176 | 0.759494 |
93 | AT4 | 0.44 | 0.731707 |
94 | VMS | 0.439252 | 0.696629 |
95 | 52H | 0.439252 | 0.688889 |
96 | 54H | 0.439252 | 0.696629 |
97 | YAP | 0.438596 | 0.7875 |
98 | 8LE | 0.438095 | 0.743902 |
99 | NB8 | 0.4375 | 0.768293 |
100 | PTJ | 0.4375 | 0.72619 |
101 | 3OD | 0.4375 | 0.7625 |
102 | ADV | 0.436893 | 0.775 |
103 | RBY | 0.436893 | 0.775 |
104 | ATP MG | 0.436893 | 0.779221 |
105 | ADP PO3 | 0.436893 | 0.779221 |
106 | DLL | 0.436364 | 0.772152 |
107 | MHZ | 0.435644 | 0.768293 |
108 | M33 | 0.435644 | 0.728395 |
109 | AU1 | 0.435644 | 0.719512 |
110 | ADX | 0.435644 | 0.709302 |
111 | 53H | 0.435185 | 0.688889 |
112 | 8LQ | 0.435185 | 0.775 |
113 | 5CA | 0.435185 | 0.727273 |
114 | TSB | 0.435185 | 0.704545 |
115 | A22 | 0.435185 | 0.728395 |
116 | N5O | 0.43299 | 0.821918 |
117 | A3G | 0.43299 | 0.835616 |
118 | OAD | 0.432432 | 0.7625 |
119 | 3AM | 0.431579 | 0.7 |
120 | H1Q | 0.431373 | 0.746835 |
121 | OOB | 0.431193 | 0.772152 |
122 | 5SV | 0.431193 | 0.705882 |
123 | 5AD | 0.430233 | 0.757143 |
124 | ADP VO4 | 0.429907 | 0.75 |
125 | VO4 ADP | 0.429907 | 0.75 |
126 | ACQ | 0.428571 | 0.740741 |
127 | KAA | 0.428571 | 0.741573 |
128 | GSU | 0.428571 | 0.767442 |
129 | DSZ | 0.427273 | 0.747126 |
130 | LSS | 0.427273 | 0.711111 |
131 | Y3J | 0.426966 | 0.736111 |
132 | FA5 | 0.426087 | 0.797468 |
133 | HQG | 0.425926 | 0.75 |
134 | A3S | 0.425743 | 0.847222 |
135 | 7D7 | 0.425287 | 0.753425 |
136 | YLP | 0.425 | 0.764706 |
137 | TXA | 0.424779 | 0.753086 |
138 | N5A | 0.424242 | 0.819444 |
139 | AHX | 0.423423 | 0.746988 |
140 | A5D | 0.423077 | 0.821918 |
141 | 8X1 | 0.422018 | 0.722222 |
142 | HY8 | 0.421488 | 0.855263 |
143 | 2AM | 0.421053 | 0.691358 |
144 | MYR AMP | 0.421053 | 0.761905 |
145 | ALF ADP | 0.420561 | 0.722892 |
146 | ADP ALF | 0.420561 | 0.722892 |
147 | KH3 | 0.420168 | 0.833333 |
148 | 9X8 | 0.419643 | 0.743902 |
149 | VRT | 0.419048 | 0.826667 |
150 | S8M | 0.418182 | 0.864865 |
151 | 25A | 0.418182 | 0.7375 |
152 | A3T | 0.417476 | 0.808219 |
153 | 6YZ | 0.416667 | 0.740741 |
154 | AHZ | 0.416667 | 0.761905 |
155 | WAQ | 0.415929 | 0.8 |
156 | B5V | 0.415929 | 0.753086 |
157 | ANP | 0.415094 | 0.719512 |
158 | T99 | 0.415094 | 0.731707 |
159 | TAT | 0.415094 | 0.731707 |
160 | YLB | 0.414634 | 0.764706 |
161 | ADQ | 0.414414 | 0.740741 |
162 | 48N | 0.413223 | 0.746988 |
163 | JB6 | 0.412281 | 0.756098 |
164 | 1ZZ | 0.412281 | 0.741176 |
165 | 9K8 | 0.412281 | 0.684783 |
166 | AAT | 0.411215 | 0.828947 |
167 | 00A | 0.410714 | 0.73494 |
168 | YSA | 0.410256 | 0.727273 |
169 | XAH | 0.410256 | 0.761905 |
170 | B1U | 0.410256 | 0.670213 |
171 | 25L | 0.408696 | 0.728395 |
172 | OVE | 0.408163 | 0.686747 |
173 | ATF | 0.407407 | 0.710843 |
174 | ADP BMA | 0.40708 | 0.7625 |
175 | 3UK | 0.40708 | 0.7625 |
176 | A6D | 0.40708 | 0.753086 |
177 | A3P | 0.405941 | 0.734177 |
178 | SO8 | 0.40566 | 0.776316 |
179 | 9SN | 0.405172 | 0.72619 |
180 | HZ2 | 0.404959 | 0.855263 |
181 | 2VA | 0.403846 | 0.786667 |
182 | A A | 0.403509 | 0.7375 |
183 | P5A | 0.403509 | 0.733333 |
184 | PR8 | 0.403509 | 0.792683 |
185 | J4G | 0.403509 | 0.810127 |
186 | 7C5 | 0.403361 | 0.782051 |
187 | YLC | 0.403226 | 0.783133 |
188 | A3R | 0.401786 | 0.756098 |
189 | A1R | 0.401786 | 0.756098 |
190 | 8PZ | 0.401709 | 0.727273 |
191 | OZP | 0.401639 | 0.90411 |
192 | AYB | 0.401575 | 0.755814 |
193 | FYA | 0.4 | 0.75 |
This union binding pocket(no: 1) in the query (biounit: 4iwn.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3BXO | SAM | 14.8472 |
2 | 3BXO | SAM | 14.8472 |
This union binding pocket(no: 2) in the query (biounit: 4iwn.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3BXO | SAM | 14.8472 |
2 | 3BXO | SAM | 14.8472 |