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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4YVZ | ic50 = 3 uM | 3AT | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 3C1Y | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
3 | 4YXM | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
4 | 3C23 | - | 3AT | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4YVZ | ic50 = 3 uM | 3AT | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 3C1Y | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
3 | 4YXM | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
4 | 3C23 | - | 3AT | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3AT | 1 | 1 |
2 | CUU | 0.891892 | 1 |
3 | DTP | 0.655172 | 0.931507 |
4 | 7D4 | 0.654762 | 0.905405 |
5 | ATP | 0.647059 | 0.971831 |
6 | HEJ | 0.647059 | 0.971831 |
7 | AQP | 0.639535 | 0.971831 |
8 | 5FA | 0.639535 | 0.971831 |
9 | DDS | 0.617977 | 0.878378 |
10 | 3AD | 0.605263 | 0.830986 |
11 | B4P | 0.593023 | 0.944444 |
12 | AP5 | 0.593023 | 0.944444 |
13 | BA3 | 0.581395 | 0.944444 |
14 | ADP | 0.574713 | 0.971831 |
15 | DAT | 0.573034 | 0.931507 |
16 | 7D3 | 0.569767 | 0.905405 |
17 | GH3 | 0.5625 | 0.92 |
18 | A2D | 0.55814 | 0.944444 |
19 | 2A5 | 0.549451 | 0.945205 |
20 | 6YZ | 0.547368 | 0.972222 |
21 | 25L | 0.544554 | 0.958333 |
22 | ATR | 0.543478 | 0.971429 |
23 | AGS | 0.543478 | 0.92 |
24 | TAT | 0.531915 | 0.932432 |
25 | T99 | 0.531915 | 0.932432 |
26 | PAP | 0.526882 | 0.985714 |
27 | AT4 | 0.516484 | 0.932432 |
28 | AN2 | 0.516484 | 0.958333 |
29 | APR | 0.516129 | 0.944444 |
30 | AR6 | 0.516129 | 0.944444 |
31 | ACQ | 0.515789 | 0.972222 |
32 | M33 | 0.51087 | 0.931507 |
33 | AD9 | 0.510638 | 0.945205 |
34 | A3R | 0.51 | 0.907895 |
35 | 7D5 | 0.505882 | 0.878378 |
36 | A | 0.505747 | 0.943662 |
37 | AMP | 0.505747 | 0.943662 |
38 | ACP | 0.505376 | 0.972222 |
39 | AV2 | 0.505155 | 0.917808 |
40 | NA7 | 0.5 | 0.958904 |
41 | ANP | 0.5 | 0.945205 |
42 | 128 | 0.495495 | 0.776471 |
43 | A1R | 0.49505 | 0.907895 |
44 | HQG | 0.494949 | 0.958333 |
45 | A2R | 0.494949 | 0.958333 |
46 | CA0 | 0.494624 | 0.918919 |
47 | D5M | 0.494382 | 0.90411 |
48 | DA | 0.494382 | 0.90411 |
49 | A22 | 0.49 | 0.958333 |
50 | KG4 | 0.489362 | 0.918919 |
51 | APC | 0.484211 | 0.958904 |
52 | ADQ | 0.480392 | 0.918919 |
53 | ZDA | 0.479167 | 0.864865 |
54 | ADX | 0.478723 | 0.85 |
55 | A3P | 0.478261 | 0.971429 |
56 | AP2 | 0.478261 | 0.958904 |
57 | A2P | 0.478261 | 0.957143 |
58 | A12 | 0.478261 | 0.958904 |
59 | JNT | 0.475728 | 0.945205 |
60 | ATF | 0.474747 | 0.932432 |
61 | JSQ | 0.474227 | 0.92 |
62 | HFD | 0.474227 | 0.92 |
63 | 50T | 0.473684 | 0.931507 |
64 | G5P | 0.472727 | 0.896104 |
65 | 45A | 0.472527 | 0.891892 |
66 | ABM | 0.472527 | 0.891892 |
67 | 9X8 | 0.471154 | 0.894737 |
68 | HF7 | 0.47 | 0.918919 |
69 | PRX | 0.46875 | 0.868421 |
70 | AMP MG | 0.466667 | 0.902778 |
71 | 2AM | 0.465909 | 0.943662 |
72 | 8LE | 0.464646 | 0.87013 |
73 | 5AL | 0.464646 | 0.905405 |
74 | DZ4 | 0.464646 | 0.906667 |
75 | G3A | 0.463636 | 0.896104 |
76 | ITT | 0.463158 | 0.916667 |
77 | 3OD | 0.462264 | 0.918919 |
78 | T5A | 0.461538 | 0.841463 |
79 | QA7 | 0.460784 | 0.87013 |
80 | 8LQ | 0.460784 | 0.906667 |
81 | 3AM | 0.460674 | 0.929577 |
82 | OAD | 0.457143 | 0.918919 |
83 | A4P | 0.456897 | 0.821429 |
84 | 8QN | 0.456311 | 0.905405 |
85 | SRP | 0.455446 | 0.906667 |
86 | 8LH | 0.455446 | 0.881579 |
87 | PR8 | 0.45283 | 0.85 |
88 | ADP MG | 0.452632 | 0.916667 |
89 | ADP BEF | 0.452632 | 0.916667 |
90 | 3D1 | 0.452381 | 0.797297 |
91 | 3L1 | 0.452381 | 0.797297 |
92 | PAJ | 0.451923 | 0.860759 |
93 | 4AD | 0.451923 | 0.92 |
94 | SRA | 0.450549 | 0.893333 |
95 | OVE | 0.450549 | 0.905405 |
96 | PPS | 0.45 | 0.873418 |
97 | APC MG | 0.44898 | 0.891892 |
98 | PTJ | 0.448598 | 0.871795 |
99 | AU1 | 0.447917 | 0.945205 |
100 | 00A | 0.447619 | 0.858974 |
101 | AFH | 0.446429 | 0.884615 |
102 | HDV | 0.445545 | 0.893333 |
103 | VO4 ADP | 0.445545 | 0.918919 |
104 | UP5 | 0.443478 | 0.894737 |
105 | GTA | 0.442478 | 0.8625 |
106 | 25A | 0.442308 | 0.944444 |
107 | OOB | 0.442308 | 0.905405 |
108 | 5SV | 0.442308 | 0.825 |
109 | OZV | 0.442308 | 0.944444 |
110 | AS | 0.44086 | 0.857143 |
111 | V3L | 0.44 | 0.944444 |
112 | B5V | 0.439252 | 0.881579 |
113 | 7D7 | 0.439024 | 0.743243 |
114 | 12D | 0.438596 | 0.785714 |
115 | AMO | 0.438095 | 0.932432 |
116 | SON | 0.4375 | 0.932432 |
117 | KMQ | 0.436364 | 0.906667 |
118 | AP0 | 0.435897 | 0.871795 |
119 | TXA | 0.435185 | 0.906667 |
120 | NB8 | 0.435185 | 0.896104 |
121 | BIS | 0.435185 | 0.907895 |
122 | 101 | 0.434783 | 0.878378 |
123 | 48N | 0.434783 | 0.896104 |
124 | RBY | 0.434343 | 0.932432 |
125 | ADV | 0.434343 | 0.932432 |
126 | ATP MG | 0.434343 | 0.916667 |
127 | ADP PO3 | 0.434343 | 0.916667 |
128 | DLL | 0.433962 | 0.905405 |
129 | ADN | 0.433735 | 0.819444 |
130 | RAB | 0.433735 | 0.819444 |
131 | XYA | 0.433735 | 0.819444 |
132 | CNA | 0.433333 | 0.906667 |
133 | MAP | 0.432692 | 0.92 |
134 | NAX | 0.431034 | 0.873418 |
135 | DND | 0.431034 | 0.906667 |
136 | BEF ADP | 0.43 | 0.891892 |
137 | 3UK | 0.429907 | 0.893333 |
138 | 9SN | 0.427273 | 0.848101 |
139 | LAQ | 0.426087 | 0.817073 |
140 | WAQ | 0.425926 | 0.883117 |
141 | LAD | 0.425926 | 0.860759 |
142 | 139 | 0.425 | 0.85 |
143 | NPW | 0.425 | 0.886076 |
144 | 103 | 0.423913 | 0.837838 |
145 | LMS | 0.423913 | 0.804878 |
146 | ME8 | 0.422018 | 0.839506 |
147 | 1ZZ | 0.422018 | 0.817073 |
148 | V2G | 0.421569 | 0.896104 |
149 | NZQ | 0.421488 | 0.909091 |
150 | AHX | 0.420561 | 0.896104 |
151 | GGZ | 0.419048 | 0.825 |
152 | TXD | 0.418803 | 0.883117 |
153 | 6V0 | 0.418803 | 0.871795 |
154 | NAI | 0.418803 | 0.883117 |
155 | ANP MG | 0.417476 | 0.905405 |
156 | ALF ADP | 0.417476 | 0.846154 |
157 | DQV | 0.417391 | 0.931507 |
158 | TXE | 0.415254 | 0.883117 |
159 | 9ZA | 0.415094 | 0.883117 |
160 | 9ZD | 0.415094 | 0.883117 |
161 | A3G | 0.414894 | 0.8 |
162 | XNP | 0.414634 | 0.873418 |
163 | ADJ | 0.413223 | 0.829268 |
164 | NDP | 0.413223 | 0.896104 |
165 | GAP | 0.411765 | 0.868421 |
166 | B5Y | 0.410714 | 0.87013 |
167 | FA5 | 0.410714 | 0.906667 |
168 | B5M | 0.410714 | 0.87013 |
169 | TXP | 0.409836 | 0.896104 |
170 | DGT | 0.409524 | 0.871795 |
171 | FYA | 0.409091 | 0.905405 |
172 | 5F1 | 0.409091 | 0.733333 |
173 | 4UU | 0.408696 | 0.87013 |
174 | 80F | 0.408 | 0.841463 |
175 | 5N5 | 0.406977 | 0.794521 |
176 | NJP | 0.406504 | 0.92 |
177 | NVA 2AD | 0.405941 | 0.759494 |
178 | DAL AMP | 0.40566 | 0.88 |
179 | CC5 | 0.404762 | 0.816901 |
180 | ADP BMA | 0.40367 | 0.893333 |
181 | 4UV | 0.403509 | 0.87013 |
182 | OMR | 0.403361 | 0.829268 |
183 | 0WD | 0.403226 | 0.896104 |
184 | 5CD | 0.402299 | 0.780822 |
185 | NWW | 0.402299 | 0.736111 |
186 | A4D | 0.402299 | 0.794521 |
187 | J4G | 0.4 | 0.92 |
188 | L3W | 0.4 | 0.906667 |
189 | 2VA | 0.4 | 0.776316 |
190 | AOC | 0.4 | 0.797297 |
191 | M2T | 0.4 | 0.7125 |
192 | A3T | 0.4 | 0.797297 |
This union binding pocket(no: 1) in the query (biounit: 4yvz.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4yvz.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4yvz.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4yvz.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 4yvz.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4yvz.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 4yvz.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 4yvz.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |