Reaction Details Report a problem with these data
Target
Myeloblastin
Ligand
BDBM50263172
Substrate
n/a
Meas. Tech.
ChEBML_1697682
Ki
21±n/a nM
Citation
 Guarino, C; Gruba, N; Grzywa, R; Dyguda-Kazimierowicz, E; Hamon, Y; ??gowska, M; Skore?ski, M; Dallet-Choisy, S; Marchand-Adam, S; Kellenberger, C; Jenne, DE; Sie?czyk, M; Lesner, A; Gauthier, F; Korkmaz, B Exploiting the S4-S5 Specificity of Human Neutrophil Proteinase 3 to Improve the Potency of Peptidyl Di(chlorophenyl)-phosphonate Ester Inhibitors: A Kinetic and Molecular Modeling Analysis. J Med Chem 61:1858-1870 (2018) [PubMed]  Article 
Target
Name:
Myeloblastin
Synonyms:
Leukocyte proteinase 3 | MBN | PRTN3 | PRTN3_HUMAN
Type:
PROTEIN
Mol. Mass.:
27816.30
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1463425
Residue:
256
Sequence:
MAHRPPSPALASVLLALLLSGAARAAEIVGGHEAQPHSRPYMASLQMRGNPGSHFCGGTLIHPSFVLTAAHCLRDIPQRLVNVVLGAHNVRTQEPTQQHFSVAQVFLNNYDAENKLNDVLLIQLSSPANLSASVATVQLPQQDQPVPHGTQCLAMGWGRVGAHDPPAQVLQELNVTVVTFFCRPHNICTFVPRRKAGICFGDSGGPLICDGIIQGIDSFVIWGCATRLFPDFFTRVALYVDWIRSTLRRVEAKGRP
  
Inhibitor
Name:
BDBM50263172
Synonyms:
CHEMBL4085013
Type:
Small organic molecule
Emp. Form.:
C42H49Cl2N6O11PS
Mol. Mass.:
947.817
SMILES:
[H][C@]12CS[C@@H](CCCCC(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(O)=O)C(=O)NC(C)P(=O)(Oc3ccc(Cl)cc3)Oc3ccc(Cl)cc3)[C@@]1([H])NC(=O)N2 |r|
Structure:
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