null

SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C

InChI Key InChIKey=AHWCYDXQIXZVRK-RPQLRNILSA-N

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 719   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
National Cancer Institute

LigandPNGBDBM719((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)copy SMILEScopy InChI
Affinity DataKi:  0.00230nM ΔG°:  -16.5kcal/molepH: 6.2 T: 2°CAssay Description:Inhibition constants were determined by a fluorometric assay with the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Lys(DABCYL)-Ar...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KHTPubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
National Cancer Institute

LigandPNGBDBM719((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)copy SMILEScopy InChI
Affinity DataKi:  0.0880nM ΔG°:  -14.3kcal/molepH: 6.0 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7MP3PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM719((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)copy SMILEScopy InChI
Affinity DataKi:  36nMAssay Description:Inhibition of Plasmodium falciparum plasmepsin 2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J102VZPubMed