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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 1331 families. | |||||
1 | 4B2G | - | V1N | C19 H21 N6 O7 P | c1ccc2c(c1.... |
2 | 5KOD | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
3 | 7DK8 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4B2G | - | V1N | C19 H21 N6 O7 P | c1ccc2c(c1.... |
2 | 4EPL | - | JAI | C18 H29 N O4 | CC/C=CC[C@.... |
3 | 5KOD | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
4 | 6E1Q | - | CFA | C8 H6 Cl2 O3 | c1cc(c(cc1.... |
5 | 4EQL | - | SAL | C7 H6 O3 | c1ccc(c(c1.... |
6 | 6OMS | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
7 | 4EPM | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
8 | 4EQ4 | - | SAL | C7 H6 O3 | c1ccc(c(c1.... |
9 | 7DK8 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | V1N | 1 | 1 |
2 | TYM | 0.525 | 0.932432 |
3 | PRX | 0.481132 | 0.918919 |
4 | WSA | 0.475806 | 0.788235 |
5 | A2D | 0.456311 | 0.944444 |
6 | A | 0.455446 | 0.943662 |
7 | AMP | 0.455446 | 0.943662 |
8 | AR6 | 0.453704 | 0.944444 |
9 | APR | 0.453704 | 0.944444 |
10 | AT4 | 0.45283 | 0.881579 |
11 | ADQ | 0.452174 | 0.945205 |
12 | HQG | 0.451327 | 0.931507 |
13 | BA3 | 0.447619 | 0.944444 |
14 | A3P | 0.447619 | 0.916667 |
15 | 3AM | 0.445545 | 0.902778 |
16 | 50T | 0.444444 | 0.905405 |
17 | OOB | 0.443478 | 0.958333 |
18 | B4P | 0.443396 | 0.944444 |
19 | ADP | 0.443396 | 0.917808 |
20 | AP5 | 0.443396 | 0.944444 |
21 | 45A | 0.442308 | 0.917808 |
22 | ABM | 0.442308 | 0.917808 |
23 | AN2 | 0.439252 | 0.905405 |
24 | AMP MG | 0.436893 | 0.929577 |
25 | SRA | 0.436893 | 0.893333 |
26 | ADV | 0.436364 | 0.906667 |
27 | PAP | 0.436364 | 0.90411 |
28 | RBY | 0.436364 | 0.906667 |
29 | AGS | 0.436364 | 0.87013 |
30 | AD9 | 0.436364 | 0.893333 |
31 | RAB | 0.43617 | 0.819444 |
32 | XYA | 0.43617 | 0.819444 |
33 | ADN | 0.43617 | 0.819444 |
34 | ADX | 0.435185 | 0.82716 |
35 | CA0 | 0.435185 | 0.918919 |
36 | M33 | 0.435185 | 0.905405 |
37 | A12 | 0.433962 | 0.881579 |
38 | AP2 | 0.433962 | 0.881579 |
39 | 3UK | 0.432203 | 0.945205 |
40 | KG4 | 0.431193 | 0.918919 |
41 | HEJ | 0.431193 | 0.917808 |
42 | ATP | 0.431193 | 0.917808 |
43 | ACP | 0.431193 | 0.893333 |
44 | 5SV | 0.431034 | 0.871795 |
45 | 25A | 0.431034 | 0.944444 |
46 | B5V | 0.428571 | 0.932432 |
47 | AQP | 0.427273 | 0.917808 |
48 | 5FA | 0.427273 | 0.917808 |
49 | PPS | 0.424779 | 0.804878 |
50 | 8LE | 0.424779 | 0.894737 |
51 | DLL | 0.423729 | 0.958333 |
52 | AU1 | 0.422018 | 0.893333 |
53 | ADP BMA | 0.420168 | 0.918919 |
54 | COT | 0.41875 | 0.784091 |
55 | WAQ | 0.416667 | 0.907895 |
56 | ACQ | 0.415929 | 0.893333 |
57 | T99 | 0.415929 | 0.881579 |
58 | ANP | 0.415929 | 0.893333 |
59 | TAT | 0.415929 | 0.881579 |
60 | PAJ | 0.415254 | 0.860759 |
61 | AMO | 0.415254 | 0.906667 |
62 | B5M | 0.414634 | 0.92 |
63 | APC | 0.414414 | 0.881579 |
64 | CA3 | 0.41358 | 0.784091 |
65 | FYA | 0.413223 | 0.931507 |
66 | SON | 0.412844 | 0.906667 |
67 | ADP BEF | 0.412844 | 0.916667 |
68 | ADP MG | 0.412844 | 0.916667 |
69 | 5N5 | 0.412371 | 0.794521 |
70 | 5AL | 0.412281 | 0.931507 |
71 | V2G | 0.412281 | 0.871795 |
72 | 00A | 0.411765 | 0.907895 |
73 | LQJ | 0.41129 | 0.917808 |
74 | APC MG | 0.410714 | 0.891892 |
75 | 8LQ | 0.410256 | 0.906667 |
76 | A22 | 0.410256 | 0.931507 |
77 | QA7 | 0.410256 | 0.894737 |
78 | 25L | 0.409836 | 0.931507 |
79 | 6RE | 0.409524 | 0.759494 |
80 | ATF | 0.408696 | 0.881579 |
81 | 5CD | 0.408163 | 0.805556 |
82 | A4D | 0.408163 | 0.794521 |
83 | 2AM | 0.407767 | 0.890411 |
84 | OZV | 0.40678 | 0.917808 |
85 | 9SN | 0.406504 | 0.896104 |
86 | M2T | 0.405941 | 0.734177 |
87 | 8LH | 0.405172 | 0.906667 |
88 | SRP | 0.405172 | 0.906667 |
89 | 6YZ | 0.405172 | 0.893333 |
90 | PR8 | 0.404959 | 0.873418 |
91 | V3L | 0.403509 | 0.944444 |
92 | A1R | 0.403361 | 0.858974 |
93 | A3R | 0.403361 | 0.858974 |
94 | 4AD | 0.403361 | 0.894737 |
95 | B5Y | 0.403226 | 0.92 |
96 | FA5 | 0.403226 | 0.932432 |
97 | A2R | 0.401709 | 0.931507 |
98 | 3OD | 0.401639 | 0.918919 |
99 | 1ZZ | 0.401639 | 0.8625 |
100 | LMS | 0.4 | 0.804878 |
This union binding pocket(no: 1) in the query (biounit: 4b2g.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4b2g.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |