(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-hydroxy-2-[3-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]propanoylamino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid

InChIKey	`JHKZENPNLYAVCT-CXWHUAPYSA-N`
Compound Name	(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-hydroxy-2-[3-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]propanoylamino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
Canonical SMILES	`N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CCNCCNS(=O)(=O)c1cccc2cnccc12)C(=O)O`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	15
Pfam Stratification	Cross-Family
Avg pChEMBL	7.12
Source	ChEMBL;BindingDB;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P17612	PRKACA	Homo sapiens	Human	PF00069	8.5	IC50	ChEMBL
P22612	PRKACG	Homo sapiens	Human	PF00069	8.5	IC50	ChEMBL;BindingDB
P22694	PRKACB	Homo sapiens	Human	PF00069	8.5	IC50	ChEMBL
P18505	GABRB1	Homo sapiens	Human	PF02931 PF02932	7.0	pIC50	TTD_MultiTarget
O94806	PRKD3	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	6.8	IC50	ChEMBL
P05129	PRKCG	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.8	IC50	ChEMBL
P05771	PRKCB	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.8	IC50	ChEMBL
P17252	PRKCA	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.8	IC50	ChEMBL;BindingDB
P24723	PRKCH	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.8	IC50	ChEMBL
P41743	PRKCI	Homo sapiens	Human	PF00130 PF00564 PF00069 PF00433	6.8	IC50	ChEMBL
Q02156	PRKCE	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	6.8	IC50	ChEMBL
Q04759	PRKCQ	Homo sapiens	Human	PF00130 PF21494 PF00069 PF00433	6.8	IC50	ChEMBL
Q05513	PRKCZ	Homo sapiens	Human	PF00130 PF00564 PF00069 PF00433	6.8	IC50	ChEMBL
Q05655	PRKCD	Homo sapiens	Human	PF00130 PF21494 PF00069 PF00433	6.8	IC50	ChEMBL
Q15139	PRKD1	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	6.8	IC50	ChEMBL