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Substrate Report for: S-bromobenzylglutathione-dicyclopentyl-ester

S-bromobenzylglutathione dicyclopentyl ester (BBGDC), a prodrug of anti-tumor agent S-bromobenzylglutathione. Inhibition of glyoxalase I and induction of apoptosis


General
Type Not A/B H target, Pro-drug, Drug, Sulfur Compound, Peptide
Chemical_Nomenclature cyclopentyl (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)methylsulfanyl]-1-[(2-cyclopentyloxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate
Canonical SMILES C1CCC(C1)OC(=O)CNC(=O)C(CSCC2=CC=C(C=C2)Br)NC(=O)CCC(C(=O)OC3CCCC3)N
InChI InChI=1S/C27H38BrN3O6S/c28-19-11-9-18(10-12-19)16-38-17-23(26(34)30-15-25(33)36-20-5-1-2-6-20)31-24(32)14-13-22(29)27(35)37-21-7-3-4-8-21/h9-12,20-23H,1-8,13-17,29H2,(H,30,34)(H,31,32)/t22-,23-/m0/s1
InChIKey QIFSPGPRHFNZNN-GOTSBHOMSA-N
Other name(s) BBGDC ; BBGC ; BBGD ; H-gGlu(OcPent)-Cys(Bn(4-Br))-Gly-OcPent ; S-bromobenzylglutathione dicyclopentyl ester ; S-4-Bromobenzylglutathione cyclopentyl diester ; BrBzGCp2 ; CHEMBL517039 ; ZINC27081457 ; Cyclopentyl 2-amino-5-[[3-[(4-bromophenyl)methylsulfanyl]-1-[(2-cyclopentyloxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate ; O1-cyclopentyl-L-gamma-glutamyl-S-(4-bromobenzyl)-L-cysteinyl-glycine cyclopentyl ester
________________________________________________________________________________________________
MW|612.6
Formula|C27H38BrN3O6S
CAS_number|166038-00-2
PubChem|127939
UniChem|QIFSPGPRHFNZNN-GOTSBHOMSA-N
IUPHAR|
Wikipedia|

Target
Families | S-bromobenzylglutathione-dicyclopentyl-ester ligand of proteins in family: Carb_B_Chordata
Protein | human-CES1

References:
Search PubMed for references concerning: S-bromobenzylglutathione-dicyclopentyl-ester
    Title: Development and validation of an improved diced electrophoresis gel assay cutter-plate system for enzymomics studies
    Komatsu T, Shimoda M, Kawamura Y, Urano Y, Nagano T
    Ref: Biochimica & Biophysica Acta Proteins Proteom, 1867:82, 2019 : PubMed