Brief Information of the Compound and Protein
Compound Name
(9R,12S,18S,21S,27S,30S,33R,36S,39S,42S,45S,48S,51R)-45-(2-amino-2-oxoethyl)-N-[(2S)-1-amino-1-oxopropan-2-yl]-42-(3-amino-3-oxopropyl)-9-[[(2S)-2-aminopropanoyl]amino]-21-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-30,36-dimethyl-48-(2-methylpropyl)-4,10,13,19,22,28,31,34,37,40,43,46,49,56,59-pentadecaoxo-39-propan-2-yl-7,53,62-trithia-1,3,11,14,20,23,29,32,35,38,41,44,47,50,57-pentadecazapentacyclo[31.25.5.13,57.014,18.023,27]tetrahexacontane-51-carboxamide
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PubChem ID
CID: 156017886
Canonical SMILES
CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC1=O)C(=O)N[C@@H](C)C(N)=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C
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Compound Formula C70H113N21O22S3
Compound Structure
Protein Name
Ephrin type-A receptor 2
Protein Classification
Enzyme
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Kinase
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Protein Kinase
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TK protein kinase group
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Tyrosine protein kinase Eph family
Uniprot ID
P29317
Gene Name
EPHA2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 223 nM
   TI
   LI
   LO
   TS