Untitled Document

BIOPEP-UWM: Virtual Peptide Data

ID		Name
Sequence	HIQKEDVPSER
	HIQKEDVPSER

Chemical Mass		Number of residues
Monoisotopic Mass			µM

Additional Information

BIOPEP-UWM Virtual database

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

InChI=1S/C56H92N18O20/c1-5-28(4)44(73-45(83)30(58)22-29-24-62-26-64-29)53(91)68-32(13-16-39(59)76)47(85)65-31(10-6-7-19-57)46(84)66-34(15-18-41(79)80)49(87)70-36(23-42(81)82)50(88)72-43(27(2)3)54(92)74-21-9-12-38(74)52(90)71-37(25-75)51(89)67-33(14-17-40(77)78)48(86)69-35(55(93)94)11-8-20-63-56(60)61/h24,26-28,30-38,43-44,75H,5-23,25,57-58H2,1-4H3,(H2,59,76)(H,62,64)(H,65,85)(H,66,84)(H,67,89)(H,68,91)(H,69,86)(H,70,87)(H,71,90)(H,72,88)(H,73,83)(H,77,78)(H,79,80)(H,81,82)(H,93,94)(H4,60,61,63)/t28-,30-,31-,32-,33-,34-,35-,36-,37-,38-,43-,44-/m0/s1

InChIKey=ZVYGFUKOHQGXSX-UEKIRPJUSA-N

Bioactivity predicted by molecular docking

Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR) according to the BIOPEP-UWM Virtual database (ID 206)

screen and print virtual peptide data

list of virtual peptides

Bioactive peptides links	BIO 9559
Virtual peptides links	Virt 206