BIOPEP-UWM: Report

ID 549
Name Microbial collagenase inhibitor
sequence
PGAAGNAGAKGE
Function:
Predicted inhibitor of Microbial collagenase (EC 3.4.24.3) (MEROPS ID: M09.002) (PDB ID: 2Y6I)
 
Number of residues
12
Activity code
mci
Activity :
microbial collagenase inhibitor
Chemical mass 999.0336 Monoisotopic mass 998.4766
EC50 :
0.00 µM


Bibliographic data:
Authors
Zhang R., Li Y., Li Y., Zhang H.
Title
Discovering potential anti‑skin‑aging peptides in collagen: computer‑assisted rapid screening and structure–activity relationships. Collagen and Leather, 7, 30, 2025
Year Source
2025 Journal


Additional information:
BIOPEP-UWM database of bioactive peptides


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

InChI=1S/C46H76N16O22/c1-21(38(76)52-18-30(65)57-25(9-12-34(70)71)41(79)61-27(45(83)84)7-5-15-51-46(49)50)55-40(78)24(8-11-33(68)69)56-32(67)20-54-44(82)37(22(2)63)62-42(80)26(10-13-35(72)73)58-31(66)19-53-39(77)23(6-3-4-14-47)60-43(81)28(16-36(74)75)59-29(64)17-48/h21-28,37,63H,3-20,47-48H2,1-2H3,(H,52,76)(H,53,77)(H,54,82)(H,55,78)(H,56,67)(H,57,65)(H,58,66)(H,59,64)(H,60,81)(H,61,79)(H,62,80)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,83,84)(H4,49,50,51)/t21-,22+,23-,24-,25-,26-,27-,28-,37-/m0/s1

InChIKey=UMBLZMPYBWSXGY-TULCHRAISA-N


Activity predicted using molecular docking

Predicted inhibitor of pancreatic elastase (EC 3.4.21.36) (PDB ID: 1BRU) according to the BIOPEP-UWM Virtual database


Database reference: