Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-4-((S)-2-((3S,4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S)-28-((1H-imidazol-5-yl)methyl)-4-((2S,5S,8S,11S,19S)-5-((1H-indol-3-yl)methyl)-11-carbamoyl-2,8-diisobutyl-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentaazacycloicosan-19-ylcarbamoyl)-37-amino-22-(2-amino-2-oxoethyl)-16-sec-butyl-10,19-bis(3-guanidinopropyl)-13-(4-hydroxybenzyl)-31-((R)-1-hydroxyethyl)-3,25-dimethyl-7-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,37-undecaoxo-5,8,11,14,17,20,23,26,29,32-decaazaheptatriacontan-34-ylcarbamoyl)pyrrolidin-1-yl)-3-acetamido-4-oxobutanoic acid
    Show/Hide
 PubChem ID
CID: 118724479
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)CC
    Show/Hide
Compound Formula C104H161N31O26S
Compound Structure
Protein Name
 Protein Info 
Heat shock protein HSP 90-beta
Protein Classification
Other cytosolic protein
Uniprot ID
P08238
Gene Name
HSP90AB1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000257 MDA-kb2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 > 27000 nM
   TI
   LI
   LO
   TS