Brief Information of the Compound and Protein
Compound Name
3-[(1R,7S,10S,19S,22S,25S,28R,40R,43S,46S,49S,55S,58S,61S)-28-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]-40-[[(2S)-2-aminopropanoyl]amino]-10-benzyl-43-(3-carbamimidamidopropyl)-49-(hydroxymethyl)-22,61-bis[(4-hydroxyphenyl)methyl]-25-(1H-indol-3-ylmethyl)-2,8,11,14,20,23,26,41,44,47,50,56,59,62-tetradecaoxo-46-propan-2-yl-30,38,65-trithia-3,9,12,15,21,24,27,42,45,48,51,57,60,63-tetradecazahexacyclo[32.29.3.132,36.03,7.015,19.051,55]heptahexaconta-32,34,36(67)-trien-58-yl]propanoic acid
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PubChem ID
CID: 156012232
Canonical SMILES
CC(C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)N)CSCc2cc3cc(c2)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSC3
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Compound Formula C98H128N22O22S3
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 = 26.5 nM
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