Name: BDC2.5 mimotope 1040-31
Rating: 5 (10 reviews)

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HIT ID:HIT217679307
Cas No:329696-49-3
常用名:BDC2.5 mimotope 1040-31
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
InChI key:PSQOJBFNOHZXHH-RQXVNRIXSA-N

分子式:C63H97N17O14S
分子量:1348.63
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
SMILES:CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O

This is a effectively agonistic peptide (mimotope) for diabetogenic T cell clone BDC2.5. It can stimulate BDC2.5 cells with cells showing good response to this mimotope. 1040-31 peptide is specific for BDC2.5 TCR Tg+ (transgenic) T cells. This peptide is also known as p31.

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