Brief Information of the Compound and Protein
Compound Name
3-[(9R,15S,18S,24S,27S,33S,36R,39S,42S,45S,48R)-48-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]-9-[[(2S)-2-aminopropanoyl]amino]-15,45-dibenzyl-27-(2-carboxyethyl)-24,42-bis(2-methylpropyl)-18-(2-methylsulfanylethyl)-4,10,13,16,19,22,25,28,34,37,40,43,46,53,56-pentadecaoxo-7,50,59-trithia-1,3,11,14,17,20,23,26,29,35,38,41,44,47,54-pentadecazatetracyclo[34.19.5.13,54.029,33]henhexacontan-39-yl]propanoic acid
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PubChem ID
CID: 156013191
Canonical SMILES
CSCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](C)N
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Compound Formula C81H119N19O22S4
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 = 81.7 nM
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