Name: Human PD-L1 inhibitor I
Rating: 5 (10 reviews)

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HIT ID:HIT214323093
Cas No:2135542-86-6
常用名:Human PD-L1 inhibitor I
别名:Human PD-L1 inhibitor I
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-hydroxypropanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]hexanamido]-4-carboxybutanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-methylpentanoic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-hydroxypropanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]hexanamido]-4-carboxybutanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-methylpentanoic acid
InChI key:LNCFHYCUYCFVFP-GNCJSEQZSA-N

分子式:C110H152N26O32
分子量:2350.576
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O

Human PD-L1 inhibitor I is a peptide ligand that specifically inhibits the interaction between human PD-L1 and human PD-1. It exhibits a KD value of 3.39 μM, indicating its binding affinity. The presence of Human PD-L1 inhibitor I disrupts the binding between human PD-L1 and human PD-1, thereby attenuating their respective functions.

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