(3R,8R,11S,14S,17S,20S,23S,26S,29S,32S)-3-amino-29-(4-aminobutyl)-11,23-dibenzyl-20-[(1-carbamimidoylpiperidin-4-yl)methyl]-26-[3-(diaminomethylideneamino)propyl]-17-methyl-14-(2-methylpropyl)-2,10,13,16,19,22,25,28,31-nonaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-8-carboxylic acid

InChIKey	`LECDADCSAFKFQE-LEXUIDAJSA-N`
Compound Name	(3R,8R,11S,14S,17S,20S,23S,26S,29S,32S)-3-amino-29-(4-aminobutyl)-11,23-dibenzyl-20-[(1-carbamimidoylpiperidin-4-yl)methyl]-26-[3-(diaminomethylideneamino)propyl]-17-methyl-14-(2-methylpropyl)-2,10,13,16,19,22,25,28,31-nonaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-8-carboxylic acid
Canonical SMILES	`CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC2CCN(C(=N)N)CC2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Homologous
Avg pChEMBL	7.04
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P03952	KLKB1	Homo sapiens	Human	PF00024 PF00089	7.7	Ki	ChEMBL;BindingDB
P06870	KLK1	Homo sapiens	Human	PF00089	6.4	Ki	ChEMBL;BindingDB