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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 | 4TWW | ic50 = 63 uM | 3A7 | C23 H29 Br N4 O2 | c1cc(ccc1C.... |
2 | 4WY3 | ic50 = 240 uM | 3X5 | C29 H34 N4 O2 | c1ccc(cc1).... |
3 | 3AW0 | ic50 = 5.7 uM | ACE SER ALA VAL LEU HSV | n/a | n/a |
4 | 2GZ7 | ic50 = 0.3 uM | D3F | C14 H7 Cl2 F3 N2 O6 S | Cc1cc(c(cc.... |
5 | 4MDS | ic50 = 6.2 uM | 23H | C28 H33 N7 O3 | CCC(C)(C)N.... |
6 | 2QIQ | ic50 = 80 uM | CYV | C32 H54 N4 O9 | CCOC(=O)CC.... |
7 | 6M2N | Kd = 4.03 uM | 3WL | C15 H10 O5 | c1ccc(cc1).... |
8 | 3V3M | ic50 = 4.8 uM | 0EN | C26 H31 N3 O3 | CC(C)(C)c1.... |
9 | 3AVZ | ic50 = 65 nM | ACE SER ALA VAL ALC HSV | n/a | n/a |
10 | 2Z94 | - | TLD | C7 H8 S2 | Cc1ccc(c(c.... |
11 | 3ATW | ic50 = 98 nM | ACE THR VAL ALC HSV | n/a | n/a |
12 | 2GZ8 | ic50 = 3 uM | F3F | C16 H8 F3 N3 O2 S | c1ccc(cc1).... |
13 | 1UK4 | - | ASN SER THR LEU GLN | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4TWW | ic50 = 63 uM | 3A7 | C23 H29 Br N4 O2 | c1cc(ccc1C.... |
2 | 4WY3 | ic50 = 240 uM | 3X5 | C29 H34 N4 O2 | c1ccc(cc1).... |
3 | 3AW0 | ic50 = 5.7 uM | ACE SER ALA VAL LEU HSV | n/a | n/a |
4 | 2GZ7 | ic50 = 0.3 uM | D3F | C14 H7 Cl2 F3 N2 O6 S | Cc1cc(c(cc.... |
5 | 4MDS | ic50 = 6.2 uM | 23H | C28 H33 N7 O3 | CCC(C)(C)N.... |
6 | 2QIQ | ic50 = 80 uM | CYV | C32 H54 N4 O9 | CCOC(=O)CC.... |
7 | 6M2N | Kd = 4.03 uM | 3WL | C15 H10 O5 | c1ccc(cc1).... |
8 | 3V3M | ic50 = 4.8 uM | 0EN | C26 H31 N3 O3 | CC(C)(C)c1.... |
9 | 3AVZ | ic50 = 65 nM | ACE SER ALA VAL ALC HSV | n/a | n/a |
10 | 2Z94 | - | TLD | C7 H8 S2 | Cc1ccc(c(c.... |
11 | 3ATW | ic50 = 98 nM | ACE THR VAL ALC HSV | n/a | n/a |
12 | 2GZ8 | ic50 = 3 uM | F3F | C16 H8 F3 N3 O2 S | c1ccc(cc1).... |
13 | 1UK4 | - | ASN SER THR LEU GLN | n/a | n/a |
14 | 4YLU | - | R30 | C22 H21 N5 O2 S | CCC(=O)Nc1.... |
15 | 4YOG | ic50 = 1.8 uM | 4F5 | C26 H28 N6 O3 S | CC(=O)Nc1c.... |
16 | 4YOI | ic50 = 0.33 uM | 4F4 | C24 H19 N5 O2 S2 | c1ccc2c(c1.... |
17 | 4YOJ | ic50 = 0.41 uM | RFM | C26 H21 N5 O2 S | c1ccc(cc1).... |
18 | 2ZU2 | - | DTZ | H2 S2 Zn | S[Zn]S |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | F3F | 1 | 1 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 3avz.bio1) has 32 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |