Topological indices are crucial tools for predicting the physicochemical and biological features of different drugs. They are numerical values obtained from the structure of chemical molecules. These

Figshare2025-01-17 更新30

HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid

HIV-1整合

艾滋病药物设计

HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid

NIAID Data Ecosystem20

Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design

艾滋病药物设计

整合酶抑制剂

Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design Descriptor: 5-[[[2-[[(1S)-1-(4-METHOXYPHENYL)BUTYL]CARBAMOYL]PHENYL

Protein Data Bank Japan2023-12-20 更新40

Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-10007

HIV病毒结构生物学

艾滋病药物设计

Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-10007

NIAID Data Ecosystem30