BDBM7034 (4R,5S,6S,7R)-1,3-bis[(3-acetylphenyl)methyl]-5,6-dihydroxy-4,7-bis[(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(3-acetylbenzyl)-4,7-bis((4-methyl-3,4-dihydro-2H-benzo[b][1,4]-oxazin-6-yl)methyl)-2H-1,3-diazapin-2-one::Cyclic Urea Based HIV-1 Protease Inhibitor 36

SMILES CN1CCOc2ccc(C[C@@H]3[C@H](O)[C@@H](O)[C@@H](Cc4ccc5OCCN(C)c5c4)N(Cc4cccc(c4)C(C)=O)C(=O)N3Cc3cccc(c3)C(C)=O)cc12

InChI Key InChIKey=ULZQPXCCYGSIEK-VNXDFUDDSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 7034   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM7034((4R,5S,6S,7R)-1,3-bis[(3-acetylphenyl)methyl]-5,6-...)
Affinity DataKi:  0.0800nM ΔG°:  -14.3kcal/molepH: 5.5 T: 2°CAssay Description:Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed