BIOPEP-UWM: Report

ID 77
Name Antiviral peptide
sequence
VEDKGMMHQQRMMEKAMNIPRMCGTMQRKCRMS
Function:
Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB ID: 6LU7), spike glycoprotein RBD (PDB ID: 6LZG) and papain-like protein (EC 3.4.19.12) (MEROPS ID: C16.009) (PDB ID: 6WX4)
 
Number of residues
33
Activity code
avi
Activity :
antiviral
Chemical mass 3974.8397 Monoisotopic mass 3971.7910
EC50 :
0.00 µM


Bibliographic data:
Authors
Wong F.-C., Ong J.-H., Kumar D. T., Chai T.-T.
Title
In silico identification of multi‑target anti‑SARS‑CoV‑2 peptides from quinoa seed proteins. Int. J. Peptide Res. Therapeut., 27, 1837–1847, 2021
Year Source
2021 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)NCC(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CS)C(=O)NCC(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CO)C(=O)O

InChI=1S/C157H274N54O46S10/c1-15-80(4)121(152(255)211-60-26-34-110(211)149(252)200-90(33-25-59-178-157(172)173)130(233)197-102(51-67-266-13)144(247)207-108(76-258)125(228)180-74-116(219)209-122(82(6)213)151(254)202-103(52-68-267-14)140(243)192-92(36-41-112(162)215)133(236)188-87(30-22-56-175-154(166)167)127(230)187-86(29-18-21-55-160)131(234)208-109(77-259)148(251)190-89(32-24-58-177-156(170)171)129(232)196-101(50-66-265-12)143(246)206-107(75-212)153(256)257)210-147(250)105(70-114(164)217)204-141(244)97(46-62-261-8)184-123(226)81(5)182-126(229)85(28-17-20-54-159)186-135(238)94(38-43-117(220)221)193-138(241)98(47-63-262-9)199-139(242)99(48-64-263-10)195-128(231)88(31-23-57-176-155(168)169)189-132(235)91(35-40-111(161)214)191-134(237)93(37-42-113(163)216)194-145(248)104(69-83-72-174-78-181-83)203-142(245)100(49-65-264-11)198-137(240)96(45-61-260-7)183-115(218)73-179-124(227)84(27-16-19-53-158)185-146(249)106(71-119(224)225)205-136(239)95(39-44-118(222)223)201-150(253)120(165)79(2)3/h72,78-82,84-110,120-122,212-213,258-259H,15-71,73-77,158-160,165H2,1-14H3,(H2,161,214)(H2,162,215)(H2,163,216)(H2,164,217)(H,174,181)(H,179,227)(H,180,228)(H,182,229)(H,183,218)(H,184,226)(H,185,249)(H,186,238)(H,187,230)(H,188,236)(H,189,235)(H,190,251)(H,191,237)(H,192,243)(H,193,241)(H,194,248)(H,195,231)(H,196,232)(H,197,233)(H,198,240)(H,199,242)(H,200,252)(H,201,253)(H,202,254)(H,203,245)(H,204,244)(H,205,239)(H,206,246)(H,207,247)(H,208,234)(H,209,219)(H,210,250)(H,220,221)(H,222,223)(H,224,225)(H,256,257)(H4,166,167,175)(H4,168,169,176)(H4,170,171,177)(H4,172,173,178)/t80-,81-,82+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,120-,121-,122-/m0/s1

InChIKey=VSMJWWWVXBLGLH-HKKMDFBUSA-N


Bioactivity predicted using molecular docking


Database reference: