Compound ID | 3662

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IDR-1

Synonym(s): IDR1  |  IDR 1  |  Innate defense–regulator peptide 1

Class: Antimicrobial peptide

Agent Type: Semisynthetic; Indirect acting;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: Immunomodulating; enhances levels of monocyte chemokines and reduces pro-inflammatory cytokine responses in host
Target Pathogen: Active against infections caused by Staphylococcus aureus and Salmonella enterica serovar Typhimurium
Description: Derived from small host defense peptide; an innate defense–regulator peptide
Institute where first reported: Centre for Microbial Diseases and Immunity Research, University of British Columbia, Canada
Year first mentioned: 2007
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight:
Iso. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)N
InChI Key: WXRGGPLCKMBEAF-OLAWGTLASA-N
Can. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)N
InChI: InChI=1S/C65H118N18O15/c1-14-37(11)50(80-55(89)41(22-18-26-71-65(69)70)73-57(91)44(31-84)76-54(88)40(67)21-16-17-25-66)62(96)79-49(36(9)10)63(97)82-27-19-23-46(82)59(93)72-39(13)53(87)81-51(38(12)15-2)64(98)83-28-20-24-47(83)60(94)78-48(35(7)8)61(95)77-45(32-85)58(92)75-43(30-34(5)6)56(90)74-42(52(68)86)29-33(3)4/h33-51,84-85H,14-32,66-67H2,1-13H3,(H2,68,86)(H,72,93)(H,73,91)(H,74,90)(H,75,92)(H,76,88)(H,77,95)(H,78,94)(H,79,96)(H,80,89)(H,81,87)(H4,69,70,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/16129238
Citation: https://doi.org/10.1038/nbt1288

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