H-Pyr-Pro-Arg-Arg-Lys-Leu-Cys(1)-Ile-Leu-His-Arg-Asn-Pro-Gly-Arg-Cys(2)-Tyr-Asp-Lys-Ile-Pro-Ala-Phe-Tyr-Tyr-Asn-Gln-Lys-Lys-Lys-Gln-Cys(3)-Glu-Arg-Phe-Asp-Trp-Ser-Gly-Cys(2)-Gly-Gly-Asn-Ser-Asn-Arg-Phe-Lys-Thr-Ile-Glu-Glu-Cys(3)-Arg-Arg-Thr-Cys(1)-Ile-Gly-OH

Molecule Details

InChIKey	`XWQQRPSPOBDJLI-OHHNLJJMSA-N`
Compound Name	H-Pyr-Pro-Arg-Arg-Lys-Leu-Cys(1)-Ile-Leu-His-Arg-Asn-Pro-Gly-Arg-Cys(2)-Tyr-Asp-Lys-Ile-Pro-Ala-Phe-Tyr-Tyr-Asn-Gln-Lys-Lys-Lys-Gln-Cys(3)-Glu-Arg-Phe-Asp-Trp-Ser-Gly-Cys(2)-Gly-Gly-Asn-Ser-Asn-Arg-Phe-Lys-Thr-Ile-Glu-Glu-Cys(3)-Arg-Arg-Thr-Cys(1)-Ile-Gly-OH
Canonical SMILES	CC[C@H](C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CSSC[C@@H]3NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O)C(=O)NCC(=O)O
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	40
Pfam Stratification	Homologous
Avg pChEMBL	9.78
Source	ChEMBL

2D Structure

Activity Profile

Target Activities (40)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
O43525	KCNQ3	Homo sapiens	Human	PF00520 PF03520 PF11956	9.8	IC50	ChEMBL
O43526	KCNQ2	Homo sapiens	Human	PF00520 PF16642 PF03520 PF11956	9.8	IC50	ChEMBL
O95259	KCNH1	Homo sapiens	Human	PF00027 PF00520 PF13426	9.8	IC50	ChEMBL
P16389	KCNA2	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
P17658	KCNA6	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
P22001	KCNA3	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
P22459	KCNA4	Homo sapiens	Human	PF02214 PF00520 PF07941	9.8	IC50	ChEMBL
P22460	KCNA5	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
P48547	KCNC1	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
P51787	KCNQ1	Homo sapiens	Human	PF00520 PF03520	9.8	IC50	ChEMBL
P56696	KCNQ4	Homo sapiens	Human	PF00520 PF03520	9.8	IC50	ChEMBL
Q03721	KCNC4	Homo sapiens	Human	PF02214 PF00520 PF11601	9.8	IC50	ChEMBL
Q09470	KCNA1	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q12809	KCNH2	Homo sapiens	Human	PF00027 PF00520 PF13426	9.8	IC50	ChEMBL
Q14003	KCNC3	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q14721	KCNB1	Homo sapiens	Human	PF02214 PF00520 PF03521	9.8	IC50	ChEMBL
Q16322	KCNA10	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q6PIU1	KCNV1	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q8NCM2	KCNH5	Homo sapiens	Human	PF00027 PF00520 PF13426	9.8	IC50	ChEMBL
Q8TAE7	KCNG3	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q8TDN1	KCNG4	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q8TDN2	KCNV2	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q92953	KCNB2	Homo sapiens	Human	PF02214 PF00520 PF03521	9.8	IC50	ChEMBL
Q96KK3	KCNS1	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q96L42	KCNH8	Homo sapiens	Human	PF00027 PF00520 PF13426	9.8	IC50	ChEMBL
Q96PR1	KCNC2	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q96RP8	KCNA7	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q9BQ31	KCNS3	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q9H252	KCNH6	Homo sapiens	Human	PF00027 PF00520 PF13426	9.8	IC50	ChEMBL
Q9H3M0	KCNF1	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q9NR82	KCNQ5	Homo sapiens	Human	PF00520 PF03520	9.8	IC50	ChEMBL
Q9NS40	KCNH7	Homo sapiens	Human	PF00027 PF00520 PF13426	9.8	IC50	ChEMBL
Q9NSA2	KCND1	Homo sapiens	Human	PF02214 PF11879 PF00520 PF11601	9.8	IC50	ChEMBL
Q9NZV8	KCND2	Homo sapiens	Human	PF02214 PF11879 PF00520 PF11601	9.8	IC50	ChEMBL
Q9UIX4	KCNG1	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q9UJ96	KCNG2	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q9UK17	KCND3	Homo sapiens	Human	PF02214 PF11879 PF00520 PF11601	9.8	IC50	ChEMBL
Q9ULD8	KCNH3	Homo sapiens	Human	PF00027 PF00520 PF13426	9.8	IC50	ChEMBL
Q9ULS6	KCNS2	Homo sapiens	Human	PF02214 PF00520	9.8	IC50	ChEMBL
Q9UQ05	KCNH4	Homo sapiens	Human	PF00520 PF13426	9.8	IC50	ChEMBL