Brief Information of the Compound and Protein
Compound Name
(3S)-4-[[(2S)-1-[2-[[(1R,7S,10S,13S,16S,22S,28R,40R,46S,49S,58S,61S,64S)-13-(2-amino-2-oxoethyl)-28-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]-61-benzyl-16-(3-carbamimidamidopropyl)-49,64-bis(1H-indol-3-ylmethyl)-2,8,11,14,17,23,26,41,47,50,53,59,62,65-tetradecaoxo-10-propan-2-yl-30,38,68-trithia-3,9,12,15,18,24,27,42,48,51,54,60,63,66-tetradecazaheptacyclo[32.32.3.132,36.03,7.018,22.042,46.054,58]heptaconta-32,34,36(70)-trien-40-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-oxobutanoic acid
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PubChem ID
CID: 156016720
Canonical SMILES
CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(cc(c3)CSC[C@H](NC(=O)C3CCCN3C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](C)N)C(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2)CSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O
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Compound Formula C114H152N30O24S3
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 = 0.54 nM
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