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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 4J93 | - | 1JR | C16 H12 N4 O | c1ccc(cc1).... |
2 | 4E92 | - | 0OG | C30 H25 N5 O5 | CCc1cc(n(n.... |
3 | 4E91 | - | 0OF | C29 H22 F3 N3 O3 | CCN1c2ccc(.... |
4 | 4NX4 | - | JPR | C18 H24 Cl N3 O2 S | Cc1ccc(cc1.... |
5 | 4INB | ic50 = 0.89 uM | 1F6 | C21 H20 F3 N3 O3 | CN1c2ccc(c.... |
6 | 2XDE | Kd = 3.42 uM | 1B0 | C27 H27 N3 O2 | Cc1c(c2ccc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4QNB | Kd = 0.26 uM | 1B0 | C27 H27 N3 O2 | Cc1c(c2ccc.... |
2 | 5HGM | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
3 | 6V2F | Kd = 240 pM | QNG | C39 H32 Cl F10 N7 O5 S2 | CC(C)(C#Cc.... |
4 | 6H09 | - | IHP | C6 H18 O24 P6 | C1(C(C(C(C.... |
5 | 4XRQ | Kd = 0.232 uM | 1B0 | C27 H27 N3 O2 | Cc1c(c2ccc.... |
6 | 6ES8 | - | IHP | C6 H18 O24 P6 | C1(C(C(C(C.... |
7 | 5HGP | - | BHC | C12 H6 O12 | c1(c(c(c(c.... |
8 | 6VKV | - | QNG | C39 H32 Cl F10 N7 O5 S2 | CC(C)(C#Cc.... |
9 | 4U0E | Kd = 0.12 uM | 1B0 | C27 H27 N3 O2 | Cc1c(c2ccc.... |
10 | 4U0F | Kd = 1.2 uM | 3A8 | C17 H13 N3 O2 | c1ccc(cc1).... |
11 | 6BHS | - | IHP | C6 H18 O24 P6 | C1(C(C(C(C.... |
12 | 4J93 | - | 1JR | C16 H12 N4 O | c1ccc(cc1).... |
13 | 4E92 | - | 0OG | C30 H25 N5 O5 | CCc1cc(n(n.... |
14 | 4E91 | - | 0OF | C29 H22 F3 N3 O3 | CCN1c2ccc(.... |
15 | 4NX4 | - | JPR | C18 H24 Cl N3 O2 S | Cc1ccc(cc1.... |
16 | 4INB | ic50 = 0.89 uM | 1F6 | C21 H20 F3 N3 O3 | CN1c2ccc(c.... |
17 | 2XDE | Kd = 3.42 uM | 1B0 | C27 H27 N3 O2 | Cc1c(c2ccc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | JPR | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4inb.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4inb.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |