Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[(3R,8R,11S,14S,20S,23S,26S,29S,32S,35S,38S,39S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-azidohexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-8-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-29-[(2S)-butan-2-yl]-26-(hydroxymethyl)-23-[(4-hydroxyphenyl)methyl]-35-(2-methylpropyl)-2,10,13,19,22,25,28,31,34,37-decaoxo-39-phenyl-32-[(4-phenylphenyl)methyl]-11-propan-2-yl-5,6-dithia-1,9,12,18,21,24,27,30,33,36-decazatricyclo[36.3.0.014,18]hentetracontan-20-yl]acetic acid
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 PubChem ID
CID: 168274041
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN=[N+]=[N-])NC(C)=O)c1ccccc1
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Compound Formula C102H152N32O21S2
Compound Structure
Protein Name
 Protein Info 
GTPase KRas
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
P01116
Gene Name
KRAS
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000496 AsPC-1
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 2700 nM
   TI
   LI
   LO
   TS
2
IC50 = 19000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 < 1 nM