(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-N-[(E,3S)-6-[(2S)-2-(1H-indol-3-ylmethyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]-6-oxo-1-phenylhex-4-en-3-yl]-4-methylpentanamide

InChIKey	`QTDXHJIDZCYDHI-UOIWUHIWSA-N`
Compound Name	(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-N-[(E,3S)-6-[(2S)-2-(1H-indol-3-ylmethyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]-6-oxo-1-phenylhex-4-en-3-yl]-4-methylpentanamide
Canonical SMILES	`COC1=CC(=O)N(C(=O)/C=C/[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1c[nH]c2ccccc12`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	8.36
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P43235	CTSK	Homo sapiens	Human	PF08246 PF00112	8.8	IC50	ChEMBL
P07711	CTSL	Homo sapiens	Human	PF08246 PF00112	7.9	Ki	ChEMBL
P07858	CTSB	Homo sapiens	Human	PF00112 PF08127	6.6	Ki	ChEMBL
P25779		Trypanosoma cruzi	Pathogen	PF12131 PF08246 PF00112	10.1	IC50	ChEMBL