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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 5CR5 | ic50 = 2 uM | EL1 | C24 H24 Br N3 O5 S2 | CNC(=O)c1c.... |
2 | 1KT8 | - | ILP | C14 H23 N2 O7 P | CC[C@H](C).... |
3 | 5BWR | ic50 = 25 uM | 4VT | C14 H10 N4 O | c1ccc(cc1).... |
4 | 5I5W | ic50 = 1 mM | 68B | C11 H9 N3 O | c1ccc(cc1).... |
5 | 5I5S | - | NVU | C9 H7 N O3 | c1ccc2c(c1.... |
6 | 5BWW | ic50 = 0.5 uM | 4W6 | C16 H19 N5 O2 | CCCC1=CC(=.... |
7 | 5I5U | - | 67Y | C12 H15 N O2 | c1ccc2c(c1.... |
8 | 5I5Y | ic50 = 1 uM | 68D | C16 H13 N3 O4 S | Cc1c2c(sc1.... |
9 | 5I60 | ic50 = 0.00000001 M | 67W | C18 H15 N3 O3 | c1ccc(c(c1.... |
10 | 5BWX | ic50 = 16 nM | 4W4 | C18 H17 Cl F N5 O | CCCCC1=CC(.... |
11 | 5I5V | ic50 = 63 uM | 68A | C9 H8 N2 O3 S | Cc1c2c(sc1.... |
12 | 5BWV | ic50 = 79 nM | 775 | C17 H16 Cl N5 O | CCCC1=CC(=.... |
13 | 5HNE | ic50 = 50 nM | EL2 | C25 H24 Br N5 O2 S | CNC(=O)c1c.... |
14 | 5BWU | ic50 = 0.63 uM | 4VR | C15 H16 Br N5 O | CCCC1=CC(=.... |
15 | 2HDK | Kd = 6.1 mM | COI | C6 H10 O3 | CC(C)CC(=O.... |
16 | 2A1H | Ki = 65.4 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
17 | 5I5T | - | 67X | C10 H14 N2 O2 S | C[C@@H]1Cc.... |
18 | 5I5X | ic50 = 0.2 uM | 68C | C10 H7 N5 O2 S2 | Cc1c2c(sc1.... |
19 | 2HG8 | - | MLE | C7 H15 N O2 | CC(C)C[C@@.... |
20 | 1KTA | - | KIV | C5 H8 O3 | CC(C)C(=O).... |
21 | 5BWT | - | 4VS | C10 H10 N4 O | CCC1=CC(=O.... |
22 | 2COI | Ki = 3.5 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
23 | 2COJ | Ki = 1.3 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
24 | 2COG | - | 4MV | C6 H12 O2 | CC(C)CCC(=.... |
25 | 2ABJ | ic50 = 0.8 uM | CBC | C16 H10 Cl F3 N2 O4 S | c1ccc(c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5CR5 | ic50 = 2 uM | EL1 | C24 H24 Br N3 O5 S2 | CNC(=O)c1c.... |
2 | 1KT8 | - | ILP | C14 H23 N2 O7 P | CC[C@H](C).... |
3 | 5BWR | ic50 = 25 uM | 4VT | C14 H10 N4 O | c1ccc(cc1).... |
4 | 5I5W | ic50 = 1 mM | 68B | C11 H9 N3 O | c1ccc(cc1).... |
5 | 5I5S | - | NVU | C9 H7 N O3 | c1ccc2c(c1.... |
6 | 5BWW | ic50 = 0.5 uM | 4W6 | C16 H19 N5 O2 | CCCC1=CC(=.... |
7 | 5I5U | - | 67Y | C12 H15 N O2 | c1ccc2c(c1.... |
8 | 5I5Y | ic50 = 1 uM | 68D | C16 H13 N3 O4 S | Cc1c2c(sc1.... |
9 | 5I60 | ic50 = 0.00000001 M | 67W | C18 H15 N3 O3 | c1ccc(c(c1.... |
10 | 5BWX | ic50 = 16 nM | 4W4 | C18 H17 Cl F N5 O | CCCCC1=CC(.... |
11 | 5I5V | ic50 = 63 uM | 68A | C9 H8 N2 O3 S | Cc1c2c(sc1.... |
12 | 5BWV | ic50 = 79 nM | 775 | C17 H16 Cl N5 O | CCCC1=CC(=.... |
13 | 5HNE | ic50 = 50 nM | EL2 | C25 H24 Br N5 O2 S | CNC(=O)c1c.... |
14 | 5BWU | ic50 = 0.63 uM | 4VR | C15 H16 Br N5 O | CCCC1=CC(=.... |
15 | 2HDK | Kd = 6.1 mM | COI | C6 H10 O3 | CC(C)CC(=O.... |
16 | 2A1H | Ki = 65.4 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
17 | 5I5T | - | 67X | C10 H14 N2 O2 S | C[C@@H]1Cc.... |
18 | 5I5X | ic50 = 0.2 uM | 68C | C10 H7 N5 O2 S2 | Cc1c2c(sc1.... |
19 | 2HG8 | - | MLE | C7 H15 N O2 | CC(C)C[C@@.... |
20 | 1KTA | - | KIV | C5 H8 O3 | CC(C)C(=O).... |
21 | 5BWT | - | 4VS | C10 H10 N4 O | CCC1=CC(=O.... |
22 | 2COI | Ki = 3.5 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
23 | 2COJ | Ki = 1.3 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
24 | 2COG | - | 4MV | C6 H12 O2 | CC(C)CCC(=.... |
25 | 2ABJ | ic50 = 0.8 uM | CBC | C16 H10 Cl F3 N2 O4 S | c1ccc(c(c1.... |
26 | 3UZO | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
27 | 3UYY | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
28 | 3HT5 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
29 | 5U3F | - | 7TS | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 67W | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 5i60.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6XU3 | PLP | 24.3902 |
2 | 6XU3 | PLP | 24.3902 |
This union binding pocket(no: 2) in the query (biounit: 5i60.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6XU3 | PLP | 24.3902 |
2 | 6XU3 | PLP | 24.3902 |