(3S,6S,14S)-6-acetamido-N-[(2S)-1-[6-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1,3-benzothiazol-2-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-(2-methylpropyl)-2,5,8-trioxo-1,4,9-triazacyclotetradecane-14-carboxamide

InChIKey	`BVIZJIXKCBABFU-YIHYGEMESA-N`
Compound Name	(3S,6S,14S)-6-acetamido-N-[(2S)-1-[6-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1,3-benzothiazol-2-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-(2-methylpropyl)-2,5,8-trioxo-1,4,9-triazacyclotetradecane-14-carboxamide
Canonical SMILES	`CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccc(N[C@H](C(N)=O)C(C)C)cc3s2)NC(=O)[C@H](CC(C)C)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	7.66
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P05981	HPN	Homo sapiens	Human	PF09272 PF00089	8.3	IC50	ChEMBL;BindingDB
Q9Y5Y6	ST14	Homo sapiens	Human	PF00431 PF00057 PF01390 PF00089	8.0	IC50	ChEMBL;BindingDB
P00734	F2	Homo sapiens	Human	PF00594 PF00051 PF09396 PF00089	7.5	IC50	ChEMBL;BindingDB
P00742	F10	Homo sapiens	Human	PF00008 PF14670 PF00594 PF00089	6.9	IC50	ChEMBL;BindingDB