BIRD-PRD_000427: FIV PROTEASE INHIBITOR LP-149; Ac-NA-Val-Sta-Glu-NA-NH2

基本情報

• 登録情報: データベース: 生物学的重要分子辞書 (BIRD) / ID: PRD_000427
• 状態: 状態: REF ONLY
• 名称: FIV PROTEASE INHIBITOR LP-149; Ac-NA-Val-Sta-Glu-NA-NH2

BIRD information

• タイプ: ペプチド様 / 阻害剤
• ダウンロード: Molecular definition / Chemical definition / Family definition

別称

• ACE-NAL-VAL-STA-GLU-NAM (PubChem, ChemSpider)
• Ac-NA-Val-Sta-Glu-NA-NH2 (PDB)
• L-Alanina mide, N-acetyl-3-(1-naphthalenyl)-L-alanyl-L-valyl-(3S,4S)-4-am ino-3-hydroxy-6-methylheptanoyl-(2S)-2-aminobutanoyl-3-(1-napht halenyl)- (ChemSpider)
• L-Alaninamide, N-[4-[[N-[N-acetyl-3-(1-naphthalenyl)-L-alanyl]-L-valyl]amino]-3-hydroxy-6-methyl-1-oxoheptyl]-L-alpha-glutamyl-3-(1-naphthalenyl)-, [S-(R*,R*)]- (Scifinder)
• L-Alaninamide, N-acetyl-3-(1-naphthalenyl)-L-alanyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-(2S)-2-aminobutanoyl-3-(1-naphthalenyl)- (PubChem)
• L-Alaninamide, N-acetyl-3-(1-naphthalenyl)-L-alanyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-L-alpha-glutamyl-3-(1-naphthalenyl)-(9CI) (Scifinder)
• LP 149 (Scifinder, PubChem)
• LP-149 (PubChem)

Annotation

• 分子機能: Inhibitor of FIV PROTEASE, EC: 3.4.23.16EC: Inhibitor of FIV PROTEASE, EC: 3.4.23.16 / 情報源: PubMed: 7664111

External info

• ChemIDplus: 165074997
• ChemSpider: 395899
• PubChem: 449338
• CAS: 165074-99-7

Family

LP_149

FIV PROTEASE INHIBITOR LP-149; Ac-NA-Val-Sta-Glu-NA-NH2

Chemical information

組成

組成式: C₄₆H₅₈N₆O₉ / 化学式量: 838.988

• その他: タイプ: peptide-like

履歴

• 外部リンク: UniChem / ChemSpider / Wikipedia search / Google search

詳細

SMILES

• ACDLabs 12.01: O=C(N)C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CCC(=O)O)Cc4c3ccccc3ccc4
• CACTVS 3.370: CC(C)C[CH](NC(=O)[CH](NC(=O)[CH](Cc1cccc2ccccc12)NC(C)=O)C(C)C)[CH](O)CC(=O)N[CH](CCC(O)=O)C(=O)N[CH](Cc3cccc4ccccc34)C(N)=O
• OpenEye OEToolkits 1.7.6: CC(C)CC(C(CC(=O)NC(CCC(=O)O)C(=O)NC(Cc1cccc2c1cccc2)C(=O)N)O)NC(=O)C(C(C)C)NC(=O)C(Cc3cccc4c3cccc4)NC(=O)C

SMILES CANONICAL

• CACTVS 3.370: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3cccc4ccccc34)C(N)=O
• OpenEye OEToolkits 1.7.6: CC(C)C[C@@H]([C@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C

InChI

• InChI 1.03: InChI=1S/C46H58N6O9/c1-26(2)22-36(50-46(61)42(27(3)4)52-45(60)38(48-28(5)53)24-32-17-11-15-30-13-7-9-19-34(30)32)39(54)25-40(55)49-35(20-21-41(56)57)44(59)51-37(43(47)58)23-31-16-10-14-29-12-6-8-18-33(29)31/h6-19,26-27,35-39,42,54H,20-25H2,1-5H3,(H2,47,58)(H,48,53)(H,49,55)(H,50,61)(H,51,59)(H,52,60)(H,56,57)/t35-,36-,37+,38-,39+,42+/m1/s1

InChIKey

• InChI 1.03: CFJSRALSOWEJGV-UNYVCPFFSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: (4R,7S,10R,11S,15R)-15-{[(2S)-1-amino-3-(naphthalen-1-yl)-1-oxopropan-2-yl]carbamoyl}-11-hydroxy-10-(2-methylpropyl)-4-(naphthalen-1-ylmethyl)-2,5,8,13-tetraoxo-7-(propan-2-yl)-3,6,9,14-tetraazaoctadecan-18-oic acid (non-preferred name)
• OpenEye OEToolkits 1.7.6: (4S)-4-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-yl-propanoyl]amino]-3-methyl-butanoyl]amino]-6-methyl-3-oxidanyl-heptanoyl]amino]-5-[[(2S)-1-azanyl-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

PDBエントリ

全2件を表示しています

PDB-1fiv:
STRUCTURE OF AN INHIBITOR COMPLEX OF PROTEINASE FROM FELINE IMMUNODEFICIENCY VIRUS

PDB-2fiv:
Crystal structure of feline immunodeficiency virus protease complexed with a substrate