Receptor
PDB id Resolution Class Description Source Keywords
5yrs 1.76 Å EC: 3.4.23.16 X-RAY SNAPSHOT OF HIV-1 PROTEASE IN ACTION: OBSERVATION OF T INTERMEDIATE AND ITS SIHB WITH CATALYTIC ASPARTATE HUMAN IMMUNODEFICIENCY VIRUS 1 HIV-1 PROTEASE TETRAHEDRAL INTERMEDIATE SHORT IONIC HYDROGSUBSTRATE COMPLEX RT-RH HYDROLASE
Ref.: X-RAY SNAPSHOT OF HIV-1 PROTEASE IN ACTION: OBSERVA TETRAHEDRAL INTERMEDIATE AND SHORT IONIC HYDROGEN B WITH CATALYTIC ASPARTATE. J. AM. CHEM. SOC. V. 132 6366 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU THR HPH TYR VAL ASP X:2;
 Valid;
 Atoms found MORE than expected: % Diff = 2.036;
 submit data
788.808 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5YRS 1.76 Å EC: 3.4.23.16 X-RAY SNAPSHOT OF HIV-1 PROTEASE IN ACTION: OBSERVATION OF T INTERMEDIATE AND ITS SIHB WITH CATALYTIC ASPARTATE HUMAN IMMUNODEFICIENCY VIRUS 1 HIV-1 PROTEASE TETRAHEDRAL INTERMEDIATE SHORT IONIC HYDROGSUBSTRATE COMPLEX RT-RH HYDROLASE
Ref.: X-RAY SNAPSHOT OF HIV-1 PROTEASE IN ACTION: OBSERVA TETRAHEDRAL INTERMEDIATE AND SHORT IONIC HYDROGEN B WITH CATALYTIC ASPARTATE. J. AM. CHEM. SOC. V. 132 6366 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 5YRS - GLU THR HPH TYR VAL ASP n/a n/a
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 5YRS - GLU THR HPH TYR VAL ASP n/a n/a
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 5YRS - GLU THR HPH TYR VAL ASP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLU THR HPH TYR VAL ASP; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU THR HPH TYR VAL ASP 1 1
2 GLU THR PHE TYR VAL ASP GLY 0.612069 0.842105
3 ALA GLU THR PHE TYR VAL ASP GLY 0.48 0.90566
4 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.474074 0.827586
5 GLU PRO VAL GLU THR THR ASP TYR 0.470588 0.701493
6 ASP ARG VAL TYR 0.451327 0.781818
7 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.446043 0.854545
8 GLU GLN TYR LYS PHE TYR SER VAL 0.443609 0.783333
9 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.440298 0.775862
10 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.440298 0.842105
11 GLU ASN LEU TYR PHE GLN 0.429688 0.821429
12 ALA GLU THR PHE 0.428571 0.773585
13 ALA VAL TYR ASN PHE ALA THR MET 0.423358 0.783333
14 GLU LEU ASP 1OL VAL GLU PHE 0.42029 0.714286
15 LYS VAL ILE THR PHE ILE ASP LEU 0.419118 0.716667
16 GLU THR VAL ARG PHE GLN SER ASP 0.412587 0.709677
17 GLU VAL ASN 1OL ALA GLU PHE 0.411348 0.719298
18 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.40411 0.746032
19 GLU THR LEU GLU ASP SER VAL PHE 0.403509 0.714286
20 ASP PHE GLU ASP TYR GLU PHE ASP 0.4 0.785714
21 TYR VAL ASP GLY ALA 0.4 0.724138
22 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU THR HPH TYR VAL ASP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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