H-Asp-Cys(1)-Arg-Tyr-Met-Phe-Gly-Asp-Cys(2)-Glu-Lys-Asp-Glu-Asp-Cys(3)-Cys(1)-Lys-His-Leu-Gly-Cys(2)-Lys-Arg-Lys-Met-Lys-Tyr-Cys(3)-Ala-Trp-Asp-Phe-Thr-Phe-Thr-OH

InChIKey	`DFBDAHMZXJYZJG-AALCJKKVSA-N`
Compound Name	H-Asp-Cys(1)-Arg-Tyr-Met-Phe-Gly-Asp-Cys(2)-Glu-Lys-Asp-Glu-Asp-Cys(3)-Cys(1)-Lys-His-Leu-Gly-Cys(2)-Lys-Arg-Lys-Met-Lys-Tyr-Cys(3)-Ala-Trp-Asp-Phe-Thr-Phe-Thr-OH
Canonical SMILES	CSCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N3)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC2=O
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	7
Pfam Stratification	Homologous
Avg pChEMBL	7.13
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q01118	SCN7A	Homo sapiens	Human	PF00520 PF24609 PF06512	9.1	IC50	ChEMBL;BindingDB
P35498	SCN1A	Homo sapiens	Human	PF00520 PF24609 PF06512 PF11933	7.4	IC50	ChEMBL;BindingDB
Q99250	SCN2A	Homo sapiens	Human	PF00520 PF24609 PF06512 PF11933	6.9	IC50	ChEMBL;BindingDB
Q9UQD0	SCN8A	Homo sapiens	Human	PF00520 PF24609 PF06512 PF11933	6.9	IC50	ChEMBL;BindingDB
P35499	SCN4A	Homo sapiens	Human	PF00520 PF24609 PF06512	6.8	IC50	ChEMBL;BindingDB
Q9NY46	SCN3A	Homo sapiens	Human	PF00520 PF24609 PF06512 PF11933	6.7	IC50	ChEMBL;BindingDB
Q14524	SCN5A	Homo sapiens	Human	PF00520 PF24609 PF06512 PF11933	6.1	IC50	ChEMBL;BindingDB