Name: Ac-Tyr(PO3H2)-Glu-Glu-Ile-Glu-OH
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT218639669
Cas No:159439-02-8
常用名:Ac-Tyr(PO3H2)-Glu-Glu-Ile-Glu-OH
常用名:Ac-Tyr(PO3H2)-Glu-Glu-Ile-Glu-OH
别名:N-Acetyl-O-phosphono-Tyr-Glu-Glu-Ile-Glu
别名:N-Acetyl-O-phosphono-Tyr-Glu-Glu-Ile-Glu
IUPAC:(2S)-2-[(2S,3S)-2-[(2S)-4-carboxy-2-[(2S)-4-carboxy-2-[(2S)-2-acetamido-3-[4-(phosphonooxy)phenyl]propanamido]butanamido]butanamido]-3-methylpentanamido]pentanedioic acid
IUPAC:(2S)-2-[(2S,3S)-2-[(2S)-4-carboxy-2-[(2S)-4-carboxy-2-[(2S)-2-acetamido-3-[4-(phosphonooxy)phenyl]propanamido]butanamido]butanamido]-3-methylpentanamido]pentanedioic acid
InChI key:QQEKQSBIEKQXQS-PSCZMIBCSA-N

分子式:C32H46N5O17P
分子量:803.712
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

Phosphopeptide ligand for the src SH2 domain (IC50 = 1 μM). Blocks src interactions with EGFR and FAK.

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