BDBM849 (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis({[4-(thiophen-2-yl)phenyl]methoxy})hexanediamide::C2-Symmetric inhibitor 7::N1,N6-Bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-2,5-bis[4-(2-thienyl)benzyloxy]-3,4-dihydroxyhexanediamide

SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1cccs1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1cccs1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChI Key InChIKey=BUEYISJFODTUIB-UHFFFAOYSA-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 = 849   

TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Uppsala University

LigandPNGBDBM849(N1,N6-Bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]...)
Affinity DataKi:  1.20nM ΔG°:  -12.4kcal/molepH: 5.0 T: 2°CAssay Description:Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2004
Entry Details Article
PubMed