Brief Information of the Compound and Protein
Compound Name
2-[(9R,15S,18S,21S,27S,30S,33R,36S,39S,45S,48S,51S,54S,57R)-27-(4-aminobutyl)-57-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]-9-[[(2S)-2-aminopropanoyl]amino]-54-[(2S)-butan-2-yl]-48-(carboxymethyl)-51-[(1R)-1-hydroxyethyl]-30,39-bis[(4-hydroxyphenyl)methyl]-21-(1H-indol-3-ylmethyl)-36-methyl-4,10,16,19,22,25,28,31,34,37,40,46,49,52,55,62,65-heptadecaoxo-7,59,68-trithia-1,3,11,17,20,23,26,29,32,35,38,41,47,50,53,56,63-heptadecazapentacyclo[31.31.5.13,63.011,15.041,45]heptacontan-18-yl]acetic acid
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PubChem ID
CID: 156012609
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=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(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC1=O
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Compound Formula C95H133N23O27S3
Compound Structure
Protein Name
Ephrin type-A receptor 2
Protein Classification
Enzyme
>
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 = 160 nM
   TI
   LI
   LO
   TS