multi-Leu (ML)-peptide   Click here for help

GtoPdb Ligand ID: 8648

Synonyms: ML-peptide
Comment: This ML-peptide is reported to inhibit proprotein convertase subtilisin/kexin type 6 (PACE4) with >20-fold selectivity over furin [1].
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)O)CCCN=C(N)N)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)CC(C)C)CCCN=C(N)N
Isomeric SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C
InChI InChI=1S/C41H80N14O8/c1-22(2)19-26(43)33(56)53-30(20-23(3)4)37(60)54-31(21-24(5)6)36(59)50-28(14-11-17-48-40(44)45)35(58)55-32(25(7)8)38(61)51-27(13-9-10-16-42)34(57)52-29(39(62)63)15-12-18-49-41(46)47/h22-32H,9-21,42-43H2,1-8H3,(H,50,59)(H,51,61)(H,52,57)(H,53,56)(H,54,60)(H,55,58)(H,62,63)(H4,44,45,48)(H4,46,47,49)/t26-,27-,28-,29-,30-,31-,32-/m0/s1
InChI Key UQCOICUQZUWRMW-YYGRSCHNSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
ML-peptide
Database Links Click here for help
GtoPdb PubChem SID 252166848
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