BDBM616 (2R,4S)-2-[(R)-(ethylcarbamoyl)[1-(thiophen-2-yl)acetamido]methyl]-N-(2-{[(2R,4S)-2-[(R)-(ethylcarbamoyl)[1-(thiophen-2-yl)acetamido]methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}ethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::Penicillin Et(NH)2 Sym dimer ::[2R-[2a(R*),4B]]-4,4 -[1,2-Ethanediyl] bis[aminocarbonyl]-bis[N-ethyl-5,5-dimethyl-a-[(2-thienylacetyl)amino]-2-thiazolidineacetamide]i::penicillin deriv. 29

SMILES [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2cccs2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)Cc1cccs1)C(=O)NCC

InChI Key InChIKey=CUBGMDXVITWRSB-UHFFFAOYSA-N

Data  1 IC50

  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 = 616   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxo Group Research

LigandPNGBDBM616(Penicillin Et(NH)2 Sym dimer | (2R,4S)-2-[(R)-(et...)
Affinity DataIC50: 15nMpH: 6.0 T: 2°CAssay Description:IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2004
Entry Details Article
PubMed