Receptor
PDB id Resolution Class Description Source Keywords
5N2F 1.7 Å NON-ENZYME: OTHER STRUCTURE OF PD-L1/SMALL-MOLECULE INHIBITOR COMPLEX HOMO SAPIENS PD-L1 PD-1 SMALL-MOLECULE INHIBITOR IMMUNE SYSTEM
Ref.: SMALL-MOLECULE INHIBITORS OF THE PROGRAMMED CELL DEATH-1/PROGRAMMED DEATH-LIGAND 1 (PD-1/PD-L1) INTE VIA TRANSIENTLY INDUCED PROTEIN STATES AND DIMERIZA PD-L1. J. MED. CHEM. V. 60 5857 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8HW B:201;
Valid;
none;
ic50 = 80 nM
497.487 C27 H25 F2 N O6 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5N2F 1.7 Å NON-ENZYME: OTHER STRUCTURE OF PD-L1/SMALL-MOLECULE INHIBITOR COMPLEX HOMO SAPIENS PD-L1 PD-1 SMALL-MOLECULE INHIBITOR IMMUNE SYSTEM
Ref.: SMALL-MOLECULE INHIBITORS OF THE PROGRAMMED CELL DEATH-1/PROGRAMMED DEATH-LIGAND 1 (PD-1/PD-L1) INTE VIA TRANSIENTLY INDUCED PROTEIN STATES AND DIMERIZA PD-L1. J. MED. CHEM. V. 60 5857 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5N2F ic50 = 80 nM 8HW C27 H25 F2 N O6 Cc1c(cccc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5N2F ic50 = 80 nM 8HW C27 H25 F2 N O6 Cc1c(cccc1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5N2F ic50 = 80 nM 8HW C27 H25 F2 N O6 Cc1c(cccc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8HW; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 8HW 1 1
2 8YZ 0.448529 0.738462
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5N2F; Ligand: 8HW; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5n2f.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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