Receptor
PDB id Resolution Class Description Source Keywords
2J9J 1.04 Å EC: 3.4.23.16 ATOMIC-RESOLUTION CRYSTAL STRUCTURE OF CHEMICALLY-SYNTHESIZE PROTEASE COMPLEXED WITH INHIBITOR JG-365 HUMAN IMMUNODEFICIENCY VIRUS 1 HYDROLASE-HYDROLASE INHIBITOR COMPLEX PROTEASE HYDROLASE RESOLUTION RNA-DIRECTED DNA POLYMERASE ASPARTYL PROTEASEIMMUNODEFICIENCY VIRUS 1 HYDROLASE- HYDROLASE INHIBITOR CO
Ref.: INSIGHTS FROM ATOMIC-RESOLUTION X-RAY STRUCTURES OF CHEMICALLY SYNTHESIZED HIV-1 PROTEASE IN COMPLEX WI INHIBITORS. J.MOL.BIOL. V. 373 573 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE SER LEU ASN JG3 ILE VME C:1;
 Valid;
 none;
 submit data
818.006 n/a O=C(O...
ACT B:1106;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
GOL A:1107;
A:1108;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1105;
A:1106;
B:1105;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J9J 1.04 Å EC: 3.4.23.16 ATOMIC-RESOLUTION CRYSTAL STRUCTURE OF CHEMICALLY-SYNTHESIZE PROTEASE COMPLEXED WITH INHIBITOR JG-365 HUMAN IMMUNODEFICIENCY VIRUS 1 HYDROLASE-HYDROLASE INHIBITOR COMPLEX PROTEASE HYDROLASE RESOLUTION RNA-DIRECTED DNA POLYMERASE ASPARTYL PROTEASEIMMUNODEFICIENCY VIRUS 1 HYDROLASE- HYDROLASE INHIBITOR CO
Ref.: INSIGHTS FROM ATOMIC-RESOLUTION X-RAY STRUCTURES OF CHEMICALLY SYNTHESIZED HIV-1 PROTEASE IN COMPLEX WI INHIBITORS. J.MOL.BIOL. V. 373 573 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 2J9J - ACE SER LEU ASN JG3 ILE VME 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 2J9J - ACE SER LEU ASN JG3 ILE VME 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 2J9J - ACE SER LEU ASN JG3 ILE VME n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE SER LEU ASN JG3 ILE VME; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE SER LEU ASN JG3 ILE VME 1 1
2 LEU ASN PHE PRO ILE SER PRO 0.423611 0.911765
3 SER LEU PHE ASN THR ILE ALA VAL LEU 0.413333 0.712121
4 MET PHE SER ILE ASP ASN ILE LEU ALA 0.410596 0.724638
5 SER LEU PHE ASN THR VAL ALA THR LEU 0.4 0.69697
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE SER LEU ASN JG3 ILE VME; 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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