Brief Information of the Compound and Protein
Compound Name
(4S)-5-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[(9R,12S,18S,21S,24S,27S,30R,33S,36S,39S,42S,45S,48R)-42-(2-amino-2-oxoethyl)-9-[[(2S)-2-aminopropanoyl]amino]-36-benzyl-24,27-bis(3-carbamimidamidopropyl)-21-(carboxymethyl)-33-methyl-39-(2-methylsulfanylethyl)-4,10,13,19,22,25,28,31,34,37,40,43,46,53,56-pentadecaoxo-12,45-di(propan-2-yl)-7,50,59-trithia-1,3,11,14,20,23,26,29,32,35,38,41,44,47,54-pentadecazatetracyclo[28.25.5.13,54.014,18]henhexacontane-48-carbonyl]amino]-5-oxopentanoic acid
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PubChem ID
CID: 156016321
Canonical SMILES
CSCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)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)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
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Compound Formula C91H145N31O27S4
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 = 39.1 nM
   TI
   LI
   LO
   TS