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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 | 2IBA | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
2 | 3PKU | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
3 | 3PK4 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
4 | 3PK6 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
5 | 3PK8 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
6 | 2FXL | - | 2AL | C4 H4 N4 O3 | C1(=O)C(=N.... |
7 | 3PKF | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
8 | 3PLI | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
9 | 2ICQ | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
10 | 2IC0 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
11 | 4CW2 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
12 | 4D13 | - | IUP | C5 H4 N4 O5 | C12=NC(=O).... |
13 | 3L9G | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
14 | 1WRR | - | UNC | C4 H4 N4 O4 | C1(=C(NC(=.... |
15 | 2FUB | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
16 | 4D19 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
17 | 3PLE | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
18 | 2ZKA | - | OXY | O2 | O=O |
19 | 3L8W | - | XAN | C5 H4 N4 O2 | c1[nH]c2c(.... |
20 | 1R4S | - | MUA | C6 H6 N4 O3 | CN1C2=C(C(.... |
21 | 3LBG | - | 8TX | C5 H4 N4 O2 S | C12=C(NC(=.... |
22 | 3PKL | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
23 | 3PLJ | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
24 | 3CKS | - | OXY | O2 | O=O |
25 | 3PKK | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
26 | 4PR8 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
27 | 3PLM | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
28 | 2ZKB | - | OXY | O2 | O=O |
29 | 3BK8 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
30 | 3PKT | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
31 | 3PLH | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
32 | 3OBP | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
33 | 3PKH | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
34 | 4N9V | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
35 | 3PK5 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
36 | 1XT4 | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
37 | 4D12 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
38 | 1R51 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
39 | 4CW6 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
40 | 1R4U | - | OXC | C4 H5 N3 O4 | C1(NC(=O)N.... |
41 | 3BJP | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
42 | 3PLG | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
43 | 3PKS | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
44 | 3CKU | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
45 | 3PKG | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
46 | 4CW0 | - | MUA | C6 H6 N4 O3 | CN1C2=C(C(.... |
47 | 3LD4 | - | 8NX | C5 H3 N5 O4 | c12c(nc([n.... |
48 | 3PK3 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
49 | 4CW3 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
50 | 4D17 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
51 | 3PJK | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2IBA | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
2 | 3PKU | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
3 | 3PK4 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
4 | 3PK6 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
5 | 3PK8 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
6 | 2FXL | - | 2AL | C4 H4 N4 O3 | C1(=O)C(=N.... |
7 | 3PKF | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
8 | 3PLI | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
9 | 2ICQ | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
10 | 2IC0 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
11 | 4CW2 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
12 | 4D13 | - | IUP | C5 H4 N4 O5 | C12=NC(=O).... |
13 | 3L9G | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
14 | 1WRR | - | UNC | C4 H4 N4 O4 | C1(=C(NC(=.... |
15 | 2FUB | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
16 | 4D19 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
17 | 3PLE | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
18 | 2ZKA | - | OXY | O2 | O=O |
19 | 3L8W | - | XAN | C5 H4 N4 O2 | c1[nH]c2c(.... |
20 | 1R4S | - | MUA | C6 H6 N4 O3 | CN1C2=C(C(.... |
21 | 3LBG | - | 8TX | C5 H4 N4 O2 S | C12=C(NC(=.... |
22 | 3PKL | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
23 | 3PLJ | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
24 | 3CKS | - | OXY | O2 | O=O |
25 | 3PKK | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
26 | 4PR8 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
27 | 3PLM | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
28 | 2ZKB | - | OXY | O2 | O=O |
29 | 3BK8 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
30 | 3PKT | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
31 | 3PLH | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
32 | 3OBP | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
33 | 3PKH | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
34 | 4N9V | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
35 | 3PK5 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
36 | 1XT4 | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
37 | 4D12 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
38 | 1R51 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
39 | 4CW6 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
40 | 1R4U | - | OXC | C4 H5 N3 O4 | C1(NC(=O)N.... |
41 | 3BJP | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
42 | 3PLG | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
43 | 3PKS | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
44 | 3CKU | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
45 | 3PKG | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
46 | 4CW0 | - | MUA | C6 H6 N4 O3 | CN1C2=C(C(.... |
47 | 3LD4 | - | 8NX | C5 H3 N5 O4 | c12c(nc([n.... |
48 | 3PK3 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
49 | 4CW3 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
50 | 4D17 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
51 | 3PJK | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
52 | 1VAY | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | XDS | 1 | 1 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 3l8w.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3l8w.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3l8w.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3l8w.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |