BIOPEP-UWM: Report

ID 10094
Name Antithrombotic peptide
sequence
IEELEELEAER

Function:
Inhibitor of thrombin (EC 3.4.21.5) (MEROPS ID: S01.217)
 
Number of residues
11
Activity code
at
Activity :
antithrombotic
Chemical mass 1359.4319 Monoisotopic mass 1358.6542
EC50 :
0.00 µM



Bibliographic data:
Authors
Cheng S., Wang Y., Chen H., Liu H., Wang L., Battino M., Yao X., Zhu B., Du M.
Title
Anticoagulant dodecapeptide suppresses thrombosis in vivo by inhibiting the thrombin exosite-I binding site. J. Agric. Food Chem., 69, 10920–10931, 2021
Year Source
2021 Journal



Additional information:
BIOPEP-UWM database of bioactive peptides


SMILES: N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C57H94N14O24/c1-8-28(6)45(58)55(93)68-35(16-22-44(82)83)49(87)65-34(15-21-43(80)81)52(90)71-38(25-27(4)5)54(92)67-32(13-19-41(76)77)48(86)64-33(14-20-42(78)79)51(89)70-37(24-26(2)3)53(91)66-30(11-17-39(72)73)47(85)62-29(7)46(84)63-31(12-18-40(74)75)50(88)69-36(56(94)95)10-9-23-61-57(59)60/h26-38,45H,8-25,58H2,1-7H3,(H,62,85)(H,63,84)(H,64,86)(H,65,87)(H,66,91)(H,67,92)(H,68,93)(H,69,88)(H,70,89)(H,71,90)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,94,95)(H4,59,60,61)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,45-/m0/s1

InChIKey=SAXXYZDPRFCUMQ-UPFFINHESA-N




Database reference: