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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 261 families. | |||||
1 | 6J4T | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
2 | 6IJN | - | 6MZ | C11 H16 N5 O7 P | CNc1c2c(nc.... |
3 | 6IJP | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
4 | 6J23 | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 6J4T | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
2 | 6IJN | - | 6MZ | C11 H16 N5 O7 P | CNc1c2c(nc.... |
3 | 6IJP | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
4 | 6J23 | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6MZ | 1 | 1 |
2 | 6IA | 0.730769 | 0.871795 |
3 | 6MD | 0.727273 | 0.84507 |
4 | 6C6 | 0.696203 | 0.893333 |
5 | 2SA | 0.670732 | 0.893333 |
6 | A | 0.648649 | 0.957143 |
7 | AMP | 0.648649 | 0.957143 |
8 | 6K6 | 0.639535 | 0.943662 |
9 | G 6MZ C | 0.62963 | 0.915493 |
10 | IMO | 0.623377 | 0.915493 |
11 | NO7 | 0.597701 | 0.893333 |
12 | ABM | 0.582278 | 0.957747 |
13 | 45A | 0.582278 | 0.957747 |
14 | 6MA | 0.580247 | 0.90411 |
15 | PGS | 0.547619 | 0.846154 |
16 | M33 | 0.547619 | 0.944444 |
17 | TT8 | 0.544444 | 0.75641 |
18 | A2D | 0.54321 | 0.90411 |
19 | ADP | 0.542169 | 0.930556 |
20 | AMP MG | 0.5375 | 0.915493 |
21 | PRX | 0.534884 | 0.905405 |
22 | 71V | 0.53012 | 0.87013 |
23 | AP2 | 0.53012 | 0.893333 |
24 | A12 | 0.53012 | 0.893333 |
25 | BA3 | 0.53012 | 0.90411 |
26 | ITT | 0.529412 | 0.902778 |
27 | AU1 | 0.529412 | 0.905405 |
28 | B4P | 0.52381 | 0.90411 |
29 | AP5 | 0.52381 | 0.90411 |
30 | HEJ | 0.523256 | 0.930556 |
31 | ATP | 0.523256 | 0.930556 |
32 | AIR | 0.52 | 0.887324 |
33 | SRA | 0.518519 | 0.905405 |
34 | AN2 | 0.517647 | 0.917808 |
35 | AT4 | 0.517647 | 0.893333 |
36 | AQP | 0.517241 | 0.930556 |
37 | 5FA | 0.517241 | 0.930556 |
38 | APC | 0.517241 | 0.893333 |
39 | 25A | 0.516129 | 0.930556 |
40 | CA0 | 0.511628 | 0.88 |
41 | ADX | 0.511628 | 0.814815 |
42 | RMB | 0.506024 | 0.913043 |
43 | KG4 | 0.505747 | 0.88 |
44 | 50T | 0.505747 | 0.917808 |
45 | ACP | 0.505747 | 0.905405 |
46 | QA7 | 0.505376 | 0.881579 |
47 | N6P | 0.505263 | 0.928571 |
48 | K2R | 0.505155 | 0.866667 |
49 | T99 | 0.5 | 0.893333 |
50 | ACQ | 0.5 | 0.905405 |
51 | APR | 0.5 | 0.90411 |
52 | ADP BEF | 0.5 | 0.902778 |
53 | TAT | 0.5 | 0.893333 |
54 | ANP | 0.5 | 0.905405 |
55 | ADP MG | 0.5 | 0.902778 |
56 | AR6 | 0.5 | 0.90411 |
57 | G G 6MZ C | 0.495413 | 0.8375 |
58 | 8LE | 0.494505 | 0.881579 |
59 | 5AL | 0.494505 | 0.917808 |
60 | V2G | 0.494505 | 0.858974 |
61 | ADV | 0.494382 | 0.868421 |
62 | AD9 | 0.494382 | 0.905405 |
63 | AGS | 0.494382 | 0.881579 |
64 | RBY | 0.494382 | 0.868421 |
65 | 7RP | 0.493976 | 0.942029 |
66 | 8LQ | 0.489362 | 0.893333 |
67 | ANP MG | 0.48913 | 0.891892 |
68 | AAM | 0.488095 | 0.957143 |
69 | C2R | 0.4875 | 0.84 |
70 | AMZ | 0.4875 | 0.851351 |
71 | 9ZA | 0.484211 | 0.92 |
72 | 5SV | 0.484211 | 0.858974 |
73 | 9ZD | 0.484211 | 0.92 |
74 | 6YZ | 0.483871 | 0.905405 |
75 | 8LH | 0.483871 | 0.893333 |
76 | RBZ | 0.481928 | 0.887324 |
77 | 4AD | 0.479167 | 0.857143 |
78 | HQG | 0.478723 | 0.917808 |
79 | ATP MG | 0.477778 | 0.902778 |
80 | APC MG | 0.477778 | 0.878378 |
81 | ADP PO3 | 0.477778 | 0.902778 |
82 | NIA | 0.47561 | 0.7875 |
83 | PTJ | 0.474747 | 0.883117 |
84 | AHX | 0.474227 | 0.835443 |
85 | JNT | 0.474227 | 0.88 |
86 | ARU | 0.474227 | 0.848101 |
87 | MAP | 0.473684 | 0.881579 |
88 | A22 | 0.473684 | 0.917808 |
89 | ATF | 0.473118 | 0.893333 |
90 | BEF ADP | 0.472527 | 0.878378 |
91 | 5AS | 0.471264 | 0.767442 |
92 | P2P | 0.470588 | 0.915493 |
93 | JLN | 0.470588 | 0.851351 |
94 | FAI | 0.470588 | 0.851351 |
95 | 7RA | 0.470588 | 0.943662 |
96 | LMS | 0.46988 | 0.792683 |
97 | 1RB | 0.46988 | 0.898551 |
98 | 8QN | 0.46875 | 0.917808 |
99 | SRP | 0.468085 | 0.868421 |
100 | GAP | 0.467391 | 0.855263 |
101 | SON | 0.465909 | 0.893333 |
102 | AMO | 0.463918 | 0.868421 |
103 | PAJ | 0.463918 | 0.848101 |
104 | ADQ | 0.463918 | 0.88 |
105 | TXA | 0.46 | 0.893333 |
106 | 1ZZ | 0.46 | 0.82716 |
107 | NB8 | 0.46 | 0.835443 |
108 | PMO | 0.45977 | 0.914286 |
109 | 00A | 0.459184 | 0.846154 |
110 | DLL | 0.459184 | 0.891892 |
111 | DAL AMP | 0.458333 | 0.891892 |
112 | VO4 ADP | 0.457447 | 0.905405 |
113 | ALF ADP | 0.457447 | 0.833333 |
114 | OAD | 0.454545 | 0.905405 |
115 | 9X8 | 0.454545 | 0.881579 |
116 | OOB | 0.453608 | 0.891892 |
117 | OZV | 0.453608 | 0.90411 |
118 | WAQ | 0.45 | 0.846154 |
119 | 93A | 0.449438 | 0.795181 |
120 | A3R | 0.44898 | 0.846154 |
121 | A1R | 0.44898 | 0.846154 |
122 | KMQ | 0.446602 | 0.893333 |
123 | 3DH | 0.445783 | 0.783784 |
124 | 3OD | 0.445545 | 0.905405 |
125 | FYA | 0.445545 | 0.891892 |
126 | ME8 | 0.445545 | 0.85 |
127 | 5GP | 0.444444 | 0.868421 |
128 | G | 0.444444 | 0.868421 |
129 | YLP | 0.444444 | 0.807229 |
130 | A2P | 0.443182 | 0.915493 |
131 | A3P | 0.443182 | 0.929577 |
132 | XAH | 0.442308 | 0.804878 |
133 | 25L | 0.441176 | 0.917808 |
134 | MYR AMP | 0.441176 | 0.804878 |
135 | ADP BMA | 0.44 | 0.855263 |
136 | 3UK | 0.44 | 0.88 |
137 | IMP | 0.438202 | 0.891892 |
138 | PR8 | 0.435644 | 0.814815 |
139 | LAD | 0.435644 | 0.825 |
140 | B5V | 0.435644 | 0.868421 |
141 | 7D5 | 0.433735 | 0.864865 |
142 | G7M | 0.433333 | 0.883117 |
143 | B5Y | 0.432692 | 0.881579 |
144 | B5M | 0.432692 | 0.881579 |
145 | YLC | 0.432432 | 0.82716 |
146 | YLB | 0.432432 | 0.807229 |
147 | 6AD | 0.431579 | 0.896104 |
148 | BIS | 0.431373 | 0.87013 |
149 | MTP | 0.43038 | 0.763158 |
150 | 7MD | 0.429907 | 0.804878 |
151 | XYA | 0.428571 | 0.805556 |
152 | RAB | 0.428571 | 0.805556 |
153 | ADN | 0.428571 | 0.805556 |
154 | TSB | 0.428571 | 0.785714 |
155 | OK8 | 0.427083 | 0.818182 |
156 | A5A | 0.427083 | 0.795181 |
157 | GTA | 0.425926 | 0.873418 |
158 | HFD | 0.425532 | 0.881579 |
159 | JSQ | 0.425532 | 0.881579 |
160 | O02 | 0.425532 | 0.858974 |
161 | AOC | 0.425287 | 0.808219 |
162 | 26A | 0.425 | 0.797297 |
163 | 9SN | 0.423077 | 0.835443 |
164 | V3L | 0.421053 | 0.930556 |
165 | NSS | 0.42 | 0.747126 |
166 | 7MC | 0.419643 | 0.807229 |
167 | FA5 | 0.419048 | 0.868421 |
168 | ATP A | 0.419048 | 0.890411 |
169 | RGT | 0.419048 | 0.893333 |
170 | ATP A A A | 0.419048 | 0.890411 |
171 | 6MZ C U | 0.418605 | 0.8375 |
172 | 52H | 0.418367 | 0.767442 |
173 | VMS | 0.418367 | 0.776471 |
174 | 54H | 0.418367 | 0.776471 |
175 | GUO | 0.418367 | 0.828947 |
176 | 48N | 0.418182 | 0.858974 |
177 | JB6 | 0.417476 | 0.846154 |
178 | AYB | 0.417391 | 0.797619 |
179 | GA7 | 0.416667 | 0.893333 |
180 | ARG AMP | 0.416667 | 0.795181 |
181 | NVA LMS | 0.415842 | 0.741573 |
182 | 8BR | 0.41573 | 0.893333 |
183 | 53H | 0.414141 | 0.767442 |
184 | 4UV | 0.411215 | 0.857143 |
185 | AMP DBH | 0.411215 | 0.855263 |
186 | OMR | 0.410714 | 0.817073 |
187 | TXE | 0.410714 | 0.846154 |
188 | G5A | 0.410526 | 0.747126 |
189 | IRN | 0.410256 | 0.855072 |
190 | RVP | 0.409639 | 0.810811 |
191 | SSA | 0.408163 | 0.747126 |
192 | G3A | 0.407407 | 0.858974 |
193 | UPA | 0.40708 | 0.846154 |
194 | L3W | 0.40708 | 0.868421 |
195 | AP0 | 0.40708 | 0.858974 |
196 | DSZ | 0.405941 | 0.747126 |
197 | LSS | 0.405941 | 0.75 |
198 | MTA | 0.404762 | 0.808219 |
199 | 1PR | 0.403846 | 0.7875 |
200 | AFH | 0.40367 | 0.825 |
201 | G5P | 0.40367 | 0.858974 |
202 | 4UU | 0.40367 | 0.857143 |
203 | 7DD | 0.402174 | 0.916667 |
204 | 4UW | 0.401786 | 0.871795 |
205 | 6V0 | 0.401786 | 0.835443 |
206 | NAI | 0.401786 | 0.846154 |
207 | TXD | 0.401786 | 0.846154 |
208 | UP5 | 0.401786 | 0.857143 |
209 | TAD | 0.4 | 0.825 |
210 | 5CA | 0.4 | 0.747126 |
211 | 5N5 | 0.4 | 0.780822 |
212 | DQV | 0.4 | 0.891892 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XMP | 0.9579 |
2 | MZP | 0.9524 |
3 | 8OP | 0.9417 |
4 | DA | 0.9405 |
5 | FMP | 0.9402 |
6 | D5M | 0.9371 |
7 | 6OG | 0.9349 |
8 | DGP | 0.9292 |
9 | DG | 0.9276 |
10 | C | 0.9275 |
11 | IMU | 0.9260 |
12 | N5O | 0.9170 |
13 | ZAS | 0.9163 |
14 | 8GM | 0.9162 |
15 | C5P | 0.9145 |
16 | 8OG | 0.9137 |
17 | IRP | 0.9135 |
18 | PFU | 0.9122 |
19 | EO7 | 0.9113 |
20 | S5P | 0.9111 |
21 | FNU | 0.9094 |
22 | NEC | 0.9093 |
23 | AS | 0.9083 |
24 | NUP | 0.9082 |
25 | 6CG | 0.9076 |
26 | 6RE | 0.9057 |
27 | DI | 0.9029 |
28 | DCM | 0.9015 |
29 | NWQ | 0.8991 |
30 | A3N | 0.8989 |
31 | J7C | 0.8984 |
32 | PSU | 0.8971 |
33 | 16B | 0.8964 |
34 | U6M | 0.8954 |
35 | 6CN | 0.8940 |
36 | NMN | 0.8935 |
37 | 9L3 | 0.8919 |
38 | NCN | 0.8906 |
39 | A4D | 0.8819 |
40 | MTE | 0.8754 |
41 | KB7 | 0.8743 |
42 | FN5 | 0.8720 |
43 | CH | 0.8693 |
44 | MCF | 0.8685 |
45 | DBM | 0.8622 |
46 | DC | 0.8611 |
47 | JW5 | 0.8581 |
48 | OMP | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 6ijn.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |