Brief Information of the Compound and Protein
Compound Name
(9R,15S,18S,21S,24S,30S,33S,36R,39S,42S,45S,51S,54S,57R)-54-(4-aminobutyl)-24-(2-amino-2-oxoethyl)-N-[(2S)-1-amino-1-oxopropan-2-yl]-9-[[(2S)-2-aminopropanoyl]amino]-42-[(1R)-1-hydroxyethyl]-45-(hydroxymethyl)-51-(1H-indol-3-ylmethyl)-18,33,39-tris(2-methylpropyl)-4,10,16,19,22,25,31,34,37,40,43,46,49,52,55,62,65-heptadecaoxo-21-propan-2-yl-7,59,68-trithia-1,3,11,17,20,23,26,32,35,38,41,44,47,50,53,56,63-heptadecazapentacyclo[34.28.5.13,63.011,15.026,30]heptacontane-57-carboxamide
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PubChem ID
CID: 156016393
Canonical SMILES
CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC1=O
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Compound Formula C90H142N24O23S3
Compound Structure
Protein Name
Ephrin type-A receptor 2
Protein Classification
Enzyme
>
Kinase
>
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 = 115 nM
   TI
   LI
   LO
   TS