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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5AQP | - | 1LQ | C8 H7 N3 | c1ccc2c(c1.... |
2 | 5AQO | - | CWS | C9 H9 N3 | Cc1ccc2c(c.... |
3 | 3FZL | - | 3FD | C25 H23 Cl2 N7 O4 | c1cc(ccc1C.... |
4 | 5AQV | - | KC7 | C21 H23 N3 O4 | c1ccc(cc1).... |
5 | 3FZH | - | 3BH | C10 H14 N6 O4 | c1nc(c2c(n.... |
6 | 3FZK | - | 3BK | C17 H18 Cl2 N6 O4 | c1cc(c(cc1.... |
7 | 3FZF | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
8 | 5AQN | - | JG8 | C10 H6 N2 O2 | c1ccc2c(c1.... |
9 | 5AQT | - | 5P7 | C14 H17 N3 O3 | c1ccc2c(c1.... |
10 | 5AQF | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
11 | 3FZM | - | 3GO | C28 H26 N8 O4 | c1cc2cc(cc.... |
12 | 5AQI | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
13 | 5AQS | - | 1SQ | C9 H8 N2 | c1ccc2c(c1.... |
14 | 5AQH | - | ZVO | C8 H8 N6 | CN1c2c3c(c.... |
15 | 5AQK | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
16 | 5AQG | - | ZJB | C13 H16 N6 O4 | CN1c2c3c(c.... |
17 | 5AQR | - | N8Y | C9 H9 N3 O | COc1ccc2c(.... |
18 | 3M3Z | Kd = 12.36 uM | 3F5 | C13 H19 N7 O5 | CNc1nc2c(n.... |
19 | 5AQU | - | UX0 | C15 H19 N3 O4 | COc1cccc2c.... |
20 | 3LDQ | Kd = 2.41 uM | 3P1 | C20 H21 N7 O4 | c1ccc2c(c1.... |
21 | 5AQJ | - | Q88 | C5 H6 N6 | 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 | 5AQP | - | 1LQ | C8 H7 N3 | c1ccc2c(c1.... |
2 | 5AQO | - | CWS | C9 H9 N3 | Cc1ccc2c(c.... |
3 | 3FZL | - | 3FD | C25 H23 Cl2 N7 O4 | c1cc(ccc1C.... |
4 | 5AQV | - | KC7 | C21 H23 N3 O4 | c1ccc(cc1).... |
5 | 3FZH | - | 3BH | C10 H14 N6 O4 | c1nc(c2c(n.... |
6 | 3FZK | - | 3BK | C17 H18 Cl2 N6 O4 | c1cc(c(cc1.... |
7 | 3FZF | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
8 | 5AQN | - | JG8 | C10 H6 N2 O2 | c1ccc2c(c1.... |
9 | 5AQT | - | 5P7 | C14 H17 N3 O3 | c1ccc2c(c1.... |
10 | 5AQF | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
11 | 3FZM | - | 3GO | C28 H26 N8 O4 | c1cc2cc(cc.... |
12 | 5AQI | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
13 | 5AQS | - | 1SQ | C9 H8 N2 | c1ccc2c(c1.... |
14 | 5AQH | - | ZVO | C8 H8 N6 | CN1c2c3c(c.... |
15 | 5AQK | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
16 | 5AQG | - | ZJB | C13 H16 N6 O4 | CN1c2c3c(c.... |
17 | 5AQR | - | N8Y | C9 H9 N3 O | COc1ccc2c(.... |
18 | 3M3Z | Kd = 12.36 uM | 3F5 | C13 H19 N7 O5 | CNc1nc2c(n.... |
19 | 5AQU | - | UX0 | C15 H19 N3 O4 | COc1cccc2c.... |
20 | 3LDQ | Kd = 2.41 uM | 3P1 | C20 H21 N7 O4 | c1ccc2c(c1.... |
21 | 5AQJ | - | Q88 | C5 H6 N6 | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 8GM | 0.9175 |
2 | AMP | 0.9146 |
3 | G | 0.9079 |
4 | 8OP | 0.9002 |
5 | IMP | 0.8973 |
6 | 5GP | 0.8969 |
7 | TMP | 0.8922 |
8 | D5M | 0.8908 |
9 | 8OG | 0.8892 |
10 | XMP | 0.8832 |
11 | 71V | 0.8831 |
12 | FMP | 0.8822 |
13 | G7M | 0.8766 |
14 | DG | 0.8713 |
15 | UFP | 0.8712 |
16 | NMN | 0.8693 |
17 | DGP | 0.8670 |
18 | FDM | 0.8629 |
19 | 5HM | 0.8596 |
20 | FNU | 0.8592 |
21 | MCF | 0.8571 |
22 | QBT | 0.8556 |
23 | 5CM | 0.8503 |
This union binding pocket(no: 1) in the query (biounit: 3ldq.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |