(3S,3aS,6aR)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

InChIKey	`KOKNYEMMHABSGG-RKISWGBFSA-N`
Compound Name	(3S,3aS,6aR)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
Canonical SMILES	`CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	7.25
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P07858	CTSB	Homo sapiens	Human	PF00112 PF08127	8.8	Ki	ChEMBL;BindingDB
P07711	CTSL	Homo sapiens	Human	PF08246 PF00112	6.8	Ki	ChEMBL;BindingDB
P43235	CTSK	Homo sapiens	Human	PF08246 PF00112	6.3	Ki	ChEMBL;BindingDB
A3EZI9	NS3	Hepacivirus hominis	Pathogen	PF07652 PF22027 PF02907	7.1	Ki	BindingDB