FRAGMENT-BASED APPROACH TO THE DESIGN OF LIGANDS TARGETING A SITE ON HIV-1 INTEGRASE
PDB id Source Resolution
3AO5 1.8 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
SUC Invalid            
BBY Valid Kd =  5.9 mM   launch gocavviewer-lite   296.12
C11 H10 Br N3 O2
 Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3
CL Invalid            
SO4 Invalid            
CD Invalid            

FRAGMENT-BASED DESIGN OF LIGANDS TARGETING A NOVEL THE INTEGRASE ENZYME OF HUMAN IMMUNODEFICIENCY VIRU CHEMMEDCHEM V. 6 258 2011

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90% Homology Family

The Class containing this family consists of a total of 4 families.
Leader:    1QS4
CORE DOMAIN OF HIV-1 INTEGRASE COMPLEXED WITH
MG++ AND 1-(5- CHLOROINDOL-3-YL)-3-HYDROXY-3
-(2H-TETRAZOL-5-YL)-PROPENONE
PDB id Binding data Representative ligand
1QS4 ic50 = 2.3 uM 100
1HYV ic50 > 5.0 mM TTA
1HYZ ic50 = 380.0 uM TTO
3AO1 Kd = 5.5 mM BZX
3AO2 Kd = 0.17 mM AVX
3AO3   BMC
3AO4 Kd = 8.5 mM 833
3AO5 Kd = 5.9 mM BBY
3L3V   SUC
3OVN Kd = 2.8 mM MPV