tert-butyl N-[(2S,3R,5R)-6-[[(2S)-1-[[(2S)-1-[5-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-(4-benzoylphenyl)-5-benzyl-3-hydroxy-6-oxohexan-2-yl]carbamate

InChIKey	`ZZGIOVGHNKXQNY-GONVLDQOSA-N`
Compound Name	tert-butyl N-[(2S,3R,5R)-6-[[(2S)-1-[[(2S)-1-[5-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-(4-benzoylphenyl)-5-benzyl-3-hydroxy-6-oxohexan-2-yl]carbamate
Canonical SMILES	`CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	6
Pfam Stratification	Cross-Family
Avg pChEMBL	9.22
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P49768	PSEN1	Homo sapiens	Human	PF01080	9.2	IC50	ChEMBL;BindingDB
P49810	PSEN2	Homo sapiens	Human	PF01080	9.2	IC50	ChEMBL
Q8WW43	APH1B	Homo sapiens	Human	PF06105	9.2	IC50	ChEMBL
Q92542	NCSTN	Homo sapiens	Human	PF18266 PF05450	9.2	IC50	ChEMBL
Q96BI3	APH1A	Homo sapiens	Human	PF06105	9.2	IC50	ChEMBL
Q9NZ42	PSENEN	Homo sapiens	Human	PF10251	9.2	IC50	ChEMBL