Receptor
PDB id Resolution Class Description Source Keywords
2o4n 2 Å EC: 3.4.23.16 CRYSTAL STRUCTURE OF HIV-1 PROTEASE (TRM MUTANT) IN COMPLEX TIPRANAVIR HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE VIRAL PROTEIN
Ref.: UNIQUE THERMODYNAMIC RESPONSE OF TIPRANAVIR TO HUMA IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE DRUG RESISTA MUTATIONS. J.VIROL. V. 81 5144 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:301;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TPV A:300;
Valid;
none;
Kd = 15010 pM
602.664 C31 H33 F3 N2 O5 S CCC[C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2O4N 2 Å EC: 3.4.23.16 CRYSTAL STRUCTURE OF HIV-1 PROTEASE (TRM MUTANT) IN COMPLEX TIPRANAVIR HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE VIRAL PROTEIN
Ref.: UNIQUE THERMODYNAMIC RESPONSE OF TIPRANAVIR TO HUMA IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE DRUG RESISTA MUTATIONS. J.VIROL. V. 81 5144 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 2O4N Kd = 15010 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 2O4N Kd = 15010 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 2O4N Kd = 15010 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TPV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TPV 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TPV; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2O4N; Ligand: TPV; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 2o4n.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3WSJ MK1 19.1919
2 3WSJ MK1 19.1919
3 3SM2 478 45.4545
4 1BAI 0Q4 49.4949
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