11tA-WWRGAWKGCIS-NH2

hAChE IC50 (microM) EeAChE IC50 (microM) 1.21 +/- 0.25; EeAChE IC50 (microM) 17.93 +/- 0.93

General

Type : Peptide, Sulfur Compound

Chemical_Nomenclature : L-tryptophyl-L-tryptophyl-L-arginyl-L-glycyl-L-alanyl-L-tryptophyl-L-lysyl-L-glycyl-L-cysteinyl-L-isoleucyl-L-serine

Canonical SMILES : NC(C(NC(C(NC(C(NCC(NC(C(NC(C(NC(C(NCC(CC(C(NC(C(NC(C(=O)ON)CO)=O)C(C)CC)=O)CS)=O)=O)CCCC[N+])=O)CC1=C[N]C2=C1C=CC=C2)=O)C)=O)=O)CCCNC(N)N)=O)CC3=C[N]C4=C3C=CC=C4)=O)CC5=CCC6=C5C=CC=C6

InChI : InChI=1S\/C66H93N17O13S\/c1-4-36(2)56(64(94)82-54(34-84)65(95)96-71)83-58(88)42(35-97)26-43(85)32-75-60(90)50(20-11-12-24-67)78-62(92)52(28-40-30-73-48-18-9-7-16-45(40)48)80-57(87)37(3)77-55(86)33-76-61(91)51(21-13-25-72-66(69)70)79-63(93)53(29-41-31-74-49-19-10-8-17-46(41)49)81-59(89)47(68)27-39-23-22-38-14-5-6-15-44(38)39\/h5-10,14-19,23,30-31,36-37,42,47,50-54,56,66,72-74,84,97H,4,11-13,20-22,24-29,32-35,67-71H2,1-3H3,(H,75,90)(H,76,91)(H,77,86)(H,78,92)(H,79,93)(H,80,87)(H,81,89)(H,82,94)(H,83,88)\/p+1

InChIKey : FJGBBCUVSNPBCV-UHFFFAOYSA-O

Other name(s) :


MW : 1365.635

Formula : C66H94N17O13S

CAS_number :

PubChem :

UniChem : FJGBBCUVSNPBCV-UHFFFAOYSA-O

Target

Families : 11tA-WWRGAWKGCIS-NH2 ligand of proteins in family
ACHE

Protein :
human-ACHE

References (1)

Title : Specific Rosetta-based protein-peptide prediction protocol allows the design of novel cholinesterase inhibitor peptides - Sanchis_2025_Bioorg.Chem_156_108202
Author(s) : Sanchis I , Aimaretti F , Lupotti M , Rietmann A , Dias J , Brazzolotto X , Spinelli R , Siano A S
Ref : Bioorg Chem , 156 :108202 , 2025
Abstract :
PubMedSearch : Sanchis_2025_Bioorg.Chem_156_108202
PubMedID: 39862740