4-[[(E,2S)-1-[[(2S)-1-[(2S)-2-[[(1S)-2-[[(1S)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]carbamoyl]-4-oxopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-methoxy-1,7-dioxohept-5-en-2-yl]carbamoyl]pyridine-3-carboxylic acid

InChIKey	`NPPFXOSTKHCNFF-XLZLINMASA-N`
Compound Name	4-[[(E,2S)-1-[[(2S)-1-[(2S)-2-[[(1S)-2-[[(1S)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]carbamoyl]-4-oxopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-methoxy-1,7-dioxohept-5-en-2-yl]carbamoyl]pyridine-3-carboxylic acid
Canonical SMILES	`COC(=O)/C=C/CC[C@H](NC(=O)c1ccncc1C(=O)O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C1CCCCC1)C1CCCCC1)C(C)(C)C`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	7.61
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P05160	F13B	Homo sapiens	Human	PF00084	8.2	IC50	ChEMBL;BindingDB
O95932	TGM6	Homo sapiens	Human	PF00927 PF01841 PF00868	7.8	IC50	ChEMBL;BindingDB
P00488	F13A1	Homo sapiens	Human	PF00927 PF01841 PF00868	7.7	IC50	ChEMBL;BindingDB
P21980	TGM2	Homo sapiens	Human	PF00927 PF01841 PF00868	6.8	IC50	ChEMBL;BindingDB