Reaction Details Report a problem with these data
Target
Myeloblastin
Ligand
BDBM50502657
Substrate
n/a
Meas. Tech.
ChEMBL_1808142 (CHEMBL4307501)
Ki
23±n/a nM
Citation
Tian, S; Swedberg, JE; Li, CY; Craik, DJ; de Veer, SJ Iterative Optimization of the Cyclic Peptide SFTI-1 Yields Potent Inhibitors of Neutrophil Proteinase 3. ACS Med Chem Lett 10:1234-1239 (2019) [PubMed] Article
More Info.:
Target
Name:
Myeloblastin
Synonyms:
Leukocyte proteinase 3 | MBN | PRTN3 | PRTN3_HUMAN
Type:
PROTEIN
Mol. Mass.:
27816.30
Organism:
Human
Description:
ChEMBL_1463425
Residue:
256
Sequence:
MAHRPPSPALASVLLALLLSGAARAAEIVGGHEAQPHSRPYMASLQMRGNPGSHFCGGTLIHPSFVLTAAHCLRDIPQRLVNVVLGAHNVRTQEPTQQHFSVAQVFLNNYDAENKLNDVLLIQLSSPANLSASVATVQLPQQDQPVPHGTQCLAMGWGRVGAHDPPAQVLQELNVTVVTFFCRPHNICTFVPRRKAGICFGDSGGPLICDGIIQGIDSFVIWGCATRLFPDFFTRVALYVDWIRSTLRRVEAKGRP
Inhibitor
Name:
BDBM50502657
Synonyms:
CHEMBL4589744
Type:
Small organic molecule
Emp. Form.:
C58H92N16O19S2
Mol. Mass.:
1381.577
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2)[C@@H](C)O)[C@@H](C)CC |r|