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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2NZ2 | - | CIR | C6 H13 N3 O3 | C(C[C@@H](.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2NZ2 | - | CIR | C6 H13 N3 O3 | C(C[C@@H](.... |
2 | 1J1Z | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
3 | 1KH2 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
4 | 1KOR | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
5 | 1KH3 | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
6 | 1J20 | - | AS1 | C10 H18 N4 O6 | [H]/N=C(/N.... |
7 | 1J21 | - | CIR | C6 H13 N3 O3 | C(C[C@@H](.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DAS | 1 | 1 |
2 | ASP | 1 | 1 |
3 | ASN | 0.636364 | 0.793103 |
4 | SER | 0.545455 | 0.714286 |
5 | DBB | 0.545455 | 0.692308 |
6 | ABA | 0.545455 | 0.692308 |
7 | DSN | 0.545455 | 0.714286 |
8 | 2RA | 0.545455 | 0.689655 |
9 | DCY | 0.521739 | 0.703704 |
10 | C2N | 0.521739 | 0.666667 |
11 | CYS | 0.521739 | 0.703704 |
12 | SD4 | 0.5 | 0.648649 |
13 | GGL | 0.481481 | 0.846154 |
14 | DGL | 0.481481 | 0.846154 |
15 | GLU | 0.481481 | 0.846154 |
16 | DAB | 0.48 | 0.612903 |
17 | HSE | 0.48 | 0.758621 |
18 | API | 0.461538 | 0.75 |
19 | HCS | 0.461538 | 0.655172 |
20 | CSO | 0.461538 | 0.6875 |
21 | AS2 | 0.461538 | 0.916667 |
22 | NVA | 0.461538 | 0.62069 |
23 | LEU | 0.461538 | 0.642857 |
24 | CSD | 0.444444 | 0.615385 |
25 | CSS | 0.444444 | 0.633333 |
26 | JYD | 0.44 | 0.615385 |
27 | UN1 | 0.433333 | 0.814815 |
28 | 11C | 0.433333 | 0.814815 |
29 | DGN | 0.428571 | 0.7 |
30 | GLN | 0.428571 | 0.7 |
31 | NPI | 0.40625 | 0.785714 |
32 | NCD | 0.4 | 0.705882 |
33 | ONL | 0.4 | 0.7 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CIR | 1 | 1 |
2 | DAR | 0.735294 | 0.763158 |
3 | ARG | 0.735294 | 0.763158 |
4 | ILO | 0.631579 | 0.675 |
5 | HAR | 0.6 | 0.681818 |
6 | ONH | 0.6 | 0.619048 |
7 | 4JK | 0.6 | 0.725 |
8 | VUR | 0.6 | 0.7 |
9 | NMM | 0.6 | 0.725 |
10 | WT2 | 0.585366 | 0.783784 |
11 | DA2 | 0.571429 | 0.617021 |
12 | PAO | 0.571429 | 0.615385 |
13 | 3AR | 0.571429 | 0.690476 |
14 | 3KJ | 0.55814 | 0.6 |
15 | 2MR | 0.55814 | 0.707317 |
16 | 2YH | 0.55814 | 0.810811 |
17 | VIO | 0.55814 | 0.627907 |
18 | JM2 | 0.545455 | 0.636364 |
19 | 1KJ | 0.545455 | 0.652174 |
20 | AAR | 0.540541 | 0.675 |
21 | RPI | 0.533333 | 0.627451 |
22 | 2YJ | 0.533333 | 0.769231 |
23 | API | 0.53125 | 0.685714 |
24 | LN6 | 0.521739 | 0.627907 |
25 | HRG | 0.512195 | 0.763158 |
26 | ALY | 0.512195 | 0.74359 |
27 | JM7 | 0.510638 | 0.636364 |
28 | JM8 | 0.510204 | 0.622222 |
29 | AS1 | 0.5 | 0.738095 |
30 | D20 | 0.5 | 0.652174 |
31 | 2KJ | 0.5 | 0.638298 |
32 | OLN | 0.488372 | 0.894737 |
33 | ORN | 0.485714 | 0.735294 |
34 | JM4 | 0.48 | 0.608696 |
35 | JM6 | 0.48 | 0.608696 |
36 | MLZ | 0.475 | 0.634146 |
37 | JM5 | 0.470588 | 0.622222 |
38 | UN1 | 0.459459 | 0.638889 |
39 | DLY | 0.459459 | 0.714286 |
40 | 11C | 0.459459 | 0.638889 |
41 | DHH | 0.447368 | 0.621622 |
42 | LYS | 0.447368 | 0.694444 |
43 | 0TF | 0.4375 | 0.769231 |
44 | NPI | 0.435897 | 0.621622 |
45 | 2YG | 0.428571 | 0.769231 |
46 | LBY | 0.428571 | 0.688889 |
47 | 6CL | 0.425 | 0.666667 |
48 | 5CT | 0.416667 | 0.658537 |
49 | DAB | 0.411765 | 0.666667 |
50 | HSE | 0.411765 | 0.605263 |
51 | HCS | 0.4 | 0.611111 |
This union binding pocket(no: 1) in the query (biounit: 2nz2.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2nz2.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2nz2.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2nz2.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2nz2.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2nz2.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 2nz2.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 2nz2.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |