Name: PKI(5-22)amide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT219468878
Cas No:100853-58-5
常用名:PKI(5-22)amide
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-3-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-4-carbamimidamido-1-{[(1S,2R)-1-[({[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S,2S)-1-carbamoyl-2-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-3-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-4-carbamimidamido-1-{[(1S,2R)-1-[({[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S,2S)-1-carbamoyl-2-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid
InChI key:SIKPRCIHSIITEH-HQAKDUOCSA-N

分子式:C84H137N29O26
分子量:1969.197
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(N)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(N)=O

PKI(5-22)amide 是环 AMP 依赖性蛋白激酶 (PKA) 抑制剂的活性片段。PKI(5-22)amide 抑制PKA 激活，但不能减弱 CRF1 受体的同源脱敏作用。

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