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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2Q16 | - | ITT | C10 H15 N4 O14 P3 | c1nc2c(c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2Q16 | - | ITT | C10 H15 N4 O14 P3 | c1nc2c(c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ITT | 1 | 1 |
2 | ATP | 0.730769 | 0.943662 |
3 | HEJ | 0.730769 | 0.943662 |
4 | 5FA | 0.721519 | 0.943662 |
5 | AQP | 0.721519 | 0.943662 |
6 | B4P | 0.670886 | 0.916667 |
7 | AP5 | 0.670886 | 0.916667 |
8 | BA3 | 0.658228 | 0.916667 |
9 | ADP | 0.65 | 0.943662 |
10 | A2D | 0.632911 | 0.916667 |
11 | AGS | 0.630952 | 0.893333 |
12 | 25L | 0.623656 | 0.930556 |
13 | 6YZ | 0.613636 | 0.917808 |
14 | HFD | 0.604651 | 0.893333 |
15 | JSQ | 0.604651 | 0.893333 |
16 | AN2 | 0.583333 | 0.930556 |
17 | AT4 | 0.583333 | 0.905405 |
18 | APR | 0.581395 | 0.916667 |
19 | AR6 | 0.581395 | 0.916667 |
20 | TAT | 0.579545 | 0.905405 |
21 | T99 | 0.579545 | 0.905405 |
22 | ACQ | 0.579545 | 0.917808 |
23 | ANP | 0.579545 | 0.917808 |
24 | M33 | 0.576471 | 0.90411 |
25 | AD9 | 0.574713 | 0.917808 |
26 | NO7 | 0.571429 | 0.905405 |
27 | HQG | 0.571429 | 0.930556 |
28 | ACP | 0.569767 | 0.917808 |
29 | A22 | 0.565217 | 0.930556 |
30 | A | 0.555556 | 0.915493 |
31 | AMP | 0.555556 | 0.915493 |
32 | IMO | 0.554217 | 0.985294 |
33 | ADQ | 0.553191 | 0.891892 |
34 | A3R | 0.553191 | 0.857143 |
35 | ADX | 0.54023 | 0.825 |
36 | CA0 | 0.54023 | 0.891892 |
37 | NHD | 0.536364 | 0.90411 |
38 | 50T | 0.534091 | 0.90411 |
39 | KG4 | 0.534091 | 0.891892 |
40 | ATF | 0.532609 | 0.905405 |
41 | RGT | 0.53 | 0.931507 |
42 | 6MZ | 0.529412 | 0.902778 |
43 | 7DT | 0.52809 | 0.929577 |
44 | APC | 0.52809 | 0.905405 |
45 | PRX | 0.52809 | 0.842105 |
46 | 7D4 | 0.522727 | 0.853333 |
47 | A1R | 0.520833 | 0.857143 |
48 | ABM | 0.517647 | 0.864865 |
49 | 45A | 0.517647 | 0.864865 |
50 | JNT | 0.515464 | 0.891892 |
51 | AMP MG | 0.511905 | 0.875 |
52 | SRA | 0.511905 | 0.866667 |
53 | CZF | 0.51087 | 0.90411 |
54 | GTP | 0.510638 | 0.868421 |
55 | 25A | 0.510417 | 0.916667 |
56 | OAD | 0.510204 | 0.891892 |
57 | 9X8 | 0.510204 | 0.868421 |
58 | AFH | 0.509615 | 0.835443 |
59 | G5P | 0.509615 | 0.87013 |
60 | AP2 | 0.505747 | 0.905405 |
61 | A12 | 0.505747 | 0.905405 |
62 | AU1 | 0.505618 | 0.917808 |
63 | APC MG | 0.505495 | 0.864865 |
64 | 8LE | 0.505376 | 0.844156 |
65 | 5AL | 0.505376 | 0.878378 |
66 | 6AD | 0.505376 | 0.858974 |
67 | ARU | 0.5 | 0.858974 |
68 | 3OD | 0.5 | 0.891892 |
69 | G3A | 0.5 | 0.87013 |
70 | N6P | 0.5 | 0.942029 |
71 | 6C6 | 0.5 | 0.855263 |
72 | KMQ | 0.5 | 0.88 |
73 | OZV | 0.494845 | 0.916667 |
74 | 8LH | 0.494737 | 0.855263 |
75 | SRP | 0.494737 | 0.855263 |
76 | ADP BEF | 0.494382 | 0.888889 |
77 | ADP MG | 0.494382 | 0.888889 |
78 | UP5 | 0.490741 | 0.868421 |
79 | GTA | 0.490566 | 0.8375 |
80 | 4AD | 0.489796 | 0.868421 |
81 | QBQ | 0.489362 | 0.855263 |
82 | BIS | 0.485149 | 0.881579 |
83 | 00A | 0.484848 | 0.833333 |
84 | DLL | 0.484848 | 0.878378 |
85 | QA7 | 0.484536 | 0.844156 |
86 | MAP | 0.484536 | 0.893333 |
87 | 8LQ | 0.484536 | 0.855263 |
88 | 2SA | 0.484211 | 0.905405 |
89 | OOB | 0.479592 | 0.878378 |
90 | 8QN | 0.479592 | 0.878378 |
91 | 5SV | 0.479592 | 0.8 |
92 | 6IA | 0.478723 | 0.8125 |
93 | A4P | 0.477477 | 0.797619 |
94 | B5V | 0.475248 | 0.88 |
95 | WAQ | 0.475248 | 0.833333 |
96 | PAJ | 0.474747 | 0.835443 |
97 | AMO | 0.474747 | 0.88 |
98 | PAP | 0.473118 | 0.929577 |
99 | ADV | 0.473118 | 0.88 |
100 | ATR | 0.473118 | 0.915493 |
101 | ATP MG | 0.473118 | 0.888889 |
102 | RBY | 0.473118 | 0.88 |
103 | ADP PO3 | 0.473118 | 0.888889 |
104 | PGS | 0.472527 | 0.881579 |
105 | B5Y | 0.471154 | 0.868421 |
106 | 1ZZ | 0.470588 | 0.792683 |
107 | PTJ | 0.470588 | 0.846154 |
108 | AHX | 0.47 | 0.846154 |
109 | T5A | 0.469027 | 0.795181 |
110 | MGP | 0.46875 | 0.835443 |
111 | VO4 ADP | 0.46875 | 0.891892 |
112 | BEF ADP | 0.468085 | 0.864865 |
113 | 3UK | 0.465347 | 0.866667 |
114 | 6K6 | 0.464646 | 0.902778 |
115 | 6G0 | 0.463918 | 0.835443 |
116 | NAX | 0.463636 | 0.825 |
117 | TXD | 0.463636 | 0.857143 |
118 | DTP | 0.463158 | 0.853333 |
119 | 3AT | 0.463158 | 0.916667 |
120 | DQV | 0.462963 | 0.90411 |
121 | 2A5 | 0.462366 | 0.866667 |
122 | 4UV | 0.462264 | 0.844156 |
123 | 9SN | 0.461538 | 0.822785 |
124 | 7DD | 0.461538 | 0.929577 |
125 | PR8 | 0.460784 | 0.802469 |
126 | LAD | 0.460784 | 0.8125 |
127 | OMR | 0.459459 | 0.804878 |
128 | V2G | 0.458333 | 0.846154 |
129 | IDP | 0.457447 | 0.891892 |
130 | B5M | 0.457143 | 0.868421 |
131 | PRT | 0.457143 | 0.90411 |
132 | TXA | 0.456311 | 0.88 |
133 | FYA | 0.456311 | 0.853333 |
134 | K2R | 0.456311 | 0.90411 |
135 | ME8 | 0.456311 | 0.792683 |
136 | NB8 | 0.456311 | 0.846154 |
137 | 139 | 0.45614 | 0.825 |
138 | 71V | 0.455556 | 0.857143 |
139 | AP0 | 0.455357 | 0.846154 |
140 | 48N | 0.454545 | 0.846154 |
141 | 4UU | 0.453704 | 0.844156 |
142 | HDV | 0.453608 | 0.842105 |
143 | ALF ADP | 0.453608 | 0.820513 |
144 | ANP MG | 0.453608 | 0.878378 |
145 | GP3 | 0.452632 | 0.87013 |
146 | ADP BMA | 0.45098 | 0.866667 |
147 | 6V0 | 0.45045 | 0.846154 |
148 | NAI | 0.45045 | 0.857143 |
149 | DND | 0.45045 | 0.88 |
150 | AVV | 0.45 | 0.846154 |
151 | MGO | 0.44898 | 0.835443 |
152 | GDP | 0.447917 | 0.868421 |
153 | GAP | 0.447917 | 0.842105 |
154 | TXE | 0.446429 | 0.857143 |
155 | SON | 0.445652 | 0.88 |
156 | 7D3 | 0.444444 | 0.853333 |
157 | A2R | 0.444444 | 0.930556 |
158 | FA5 | 0.443396 | 0.855263 |
159 | L3W | 0.442478 | 0.88 |
160 | GA7 | 0.440367 | 0.855263 |
161 | DAL AMP | 0.44 | 0.853333 |
162 | GSP | 0.44 | 0.825 |
163 | CNA | 0.439655 | 0.88 |
164 | XAH | 0.439252 | 0.792683 |
165 | 7RP | 0.438202 | 0.955882 |
166 | 9ZD | 0.435644 | 0.857143 |
167 | 9ZA | 0.435644 | 0.857143 |
168 | DDS | 0.43299 | 0.826667 |
169 | LAQ | 0.432432 | 0.792683 |
170 | 1RB | 0.431818 | 0.911765 |
171 | LMS | 0.431818 | 0.780488 |
172 | ADJ | 0.431034 | 0.804878 |
173 | NDO | 0.430894 | 0.917808 |
174 | 4TC | 0.429825 | 0.846154 |
175 | UPA | 0.429825 | 0.857143 |
176 | 80F | 0.425 | 0.795181 |
177 | 4UW | 0.424779 | 0.8125 |
178 | F2R | 0.423729 | 0.817073 |
179 | AIR | 0.421687 | 0.847222 |
180 | COD | 0.420168 | 0.767442 |
181 | RMB | 0.417582 | 0.898551 |
182 | AAM | 0.417582 | 0.915493 |
183 | P2P | 0.417582 | 0.956522 |
184 | YLC | 0.417391 | 0.792683 |
185 | ATP A A A | 0.416667 | 0.876712 |
186 | ATP A | 0.416667 | 0.876712 |
187 | YLP | 0.415929 | 0.77381 |
188 | AMZ | 0.413793 | 0.863014 |
189 | C2R | 0.413793 | 0.851351 |
190 | GDC | 0.412844 | 0.835443 |
191 | GDD | 0.412844 | 0.835443 |
192 | GKE | 0.412844 | 0.835443 |
193 | 9GM | 0.411765 | 0.846154 |
194 | GNP | 0.411765 | 0.846154 |
195 | D4F | 0.41129 | 0.814815 |
196 | MYR AMP | 0.411215 | 0.771084 |
197 | RBZ | 0.411111 | 0.873239 |
198 | R5I | 0.41 | 0.866667 |
199 | R7I | 0.41 | 0.866667 |
200 | NA7 | 0.409524 | 0.905405 |
201 | EAD | 0.409449 | 0.825 |
202 | TYM | 0.408696 | 0.855263 |
203 | A3P | 0.408602 | 0.915493 |
204 | NAD | 0.408333 | 0.878378 |
205 | O02 | 0.408163 | 0.87013 |
206 | RAB | 0.407407 | 0.791667 |
207 | ADN | 0.407407 | 0.791667 |
208 | XYA | 0.407407 | 0.791667 |
209 | AOC | 0.406593 | 0.77027 |
210 | YLB | 0.405172 | 0.77381 |
211 | 26A | 0.404762 | 0.76 |
212 | NIA | 0.404494 | 0.775 |
213 | 5AS | 0.404255 | 0.735632 |
214 | GAV | 0.403846 | 0.835443 |
215 | 7RA | 0.402174 | 0.902778 |
216 | JLN | 0.402174 | 0.863014 |
217 | FAI | 0.402174 | 0.863014 |
218 | G1R | 0.401961 | 0.857143 |
219 | JB6 | 0.401869 | 0.833333 |
220 | A3D | 0.401639 | 0.866667 |
221 | 128 | 0.4 | 0.732558 |
222 | PPS | 0.4 | 0.825 |
223 | GNH | 0.4 | 0.857143 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADP ALF | 0.8808 |
This union binding pocket(no: 1) in the query (biounit: 2q16.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2q16.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |