(4R,5S)-8-amino-5-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-8-oxooctanoic acid

InChIKey	`DBZWHMUCRQSKKS-AKAPAWDXSA-N`
Compound Name	(4R,5S)-8-amino-5-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-8-oxooctanoic acid
Canonical SMILES	`CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	7
Pfam Stratification	Homologous
Avg pChEMBL	7.23
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
O15399	GRIN2D	Homo sapiens	Human	PF01094 PF00060 PF10613	7.2	IC50	ChEMBL
O60391	GRIN3B	Homo sapiens	Human	PF00060 PF10613	7.2	IC50	ChEMBL
Q05586	GRIN1	Homo sapiens	Human	PF01094 PF00060 PF10613	7.2	IC50	ChEMBL
Q12879	GRIN2A	Homo sapiens	Human	PF01094 PF00060 PF10613 PF10565	7.2	IC50	ChEMBL
Q13224	GRIN2B	Homo sapiens	Human	PF01094 PF00060 PF10613 PF10565	7.2	IC50	ChEMBL
Q14957	GRIN2C	Homo sapiens	Human	PF01094 PF00060 PF10613 PF10565	7.2	IC50	ChEMBL
Q8TCU5	GRIN3A	Homo sapiens	Human	PF01094 PF00060 PF10613	7.2	IC50	ChEMBL