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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 3GK2 | Kd = 2 mM | 27A | C13 H19 N5 S | CN1CCN(CC1.... |
2 | 3CR4 | Kd = 53 uM | PNT | C19 H24 N4 O2 | c1cc(ccc1C.... |
3 | 5DKQ | - | 5D0 | C25 H32 N4 O2 | c1cc(ccc1C.... |
4 | 5DKN | Kd = 202.6 uM | B7I | C25 H28 N4 O2 | c1cc(ccc1c.... |
5 | 3LK1 | Kd = 55.2 uM | JKE | C7 H6 O2 S | c1ccc(c(c1.... |
6 | 3GK4 | Kd = 120 uM | 53A | C18 H20 N4 O5 S | CCOC(=O)C1.... |
7 | 5DKR | Kd = 6 uM | 5CZ | C22 H19 N5 O | [H]/N=C(c1.... |
8 | 3HCM | - | S45 | C13 H14 Cl N3 O | c1cc(ccc1c.... |
9 | 3LK0 | Kd = 696.9 uM | Z80 | C17 H19 Cl N2 S | CN(C)CCCN1.... |
10 | 3CR5 | Kd = 64 uM | PNT | C19 H24 N4 O2 | c1cc(ccc1C.... |
11 | 3GK1 | Kd = 80 uM | 32A | C13 H17 N3 O2 S | CCCCC#Cc1c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3GK2 | Kd = 2 mM | 27A | C13 H19 N5 S | CN1CCN(CC1.... |
2 | 3CR4 | Kd = 53 uM | PNT | C19 H24 N4 O2 | c1cc(ccc1C.... |
3 | 5DKQ | - | 5D0 | C25 H32 N4 O2 | c1cc(ccc1C.... |
4 | 5DKN | Kd = 202.6 uM | B7I | C25 H28 N4 O2 | c1cc(ccc1c.... |
5 | 3LK1 | Kd = 55.2 uM | JKE | C7 H6 O2 S | c1ccc(c(c1.... |
6 | 3GK4 | Kd = 120 uM | 53A | C18 H20 N4 O5 S | CCOC(=O)C1.... |
7 | 5DKR | Kd = 6 uM | 5CZ | C22 H19 N5 O | [H]/N=C(c1.... |
8 | 3HCM | - | S45 | C13 H14 Cl N3 O | c1cc(ccc1c.... |
9 | 3LK0 | Kd = 696.9 uM | Z80 | C17 H19 Cl N2 S | CN(C)CCCN1.... |
10 | 3CR5 | Kd = 64 uM | PNT | C19 H24 N4 O2 | c1cc(ccc1C.... |
11 | 3GK1 | Kd = 80 uM | 32A | C13 H17 N3 O2 S | CCCCC#Cc1c.... |
12 | 3KO0 | - | TFP | C21 H24 F3 N3 S | CN1CCN(CC1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PNT | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3cr4.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3cr4.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3cr4.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3cr4.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |