BDBM608 (4S)-N-(2-{[(2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)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(S*)]-N-Ethyl-5,5-dimethyl-4-[[[2-[[(5,5-dimethyl-4-thiazolidinyl)carbonyl]amino]ethyl]amino-carbonyl-a-[(phenylacetyl)amino]-2-thiazolidineacetamide::penicillin deriv. 21

SMILES [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2NCSC2(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC

InChI Key InChIKey=APXHKVJRHHJRLS-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 608   

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

LigandPNGBDBM608((4S)-N-(2-{[(2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phen...)
Affinity DataIC50: 8.80E+3nMpH: 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