(2E)-2-[(2Z,4E)-3-[4-[3-[2-[2-[2-[3-[2-[2-[2-[[(2S)-1-[[(1R)-1-[[(2S)-2-carboxy-4-phenylbutyl]-hydroxyphosphoryl]ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]-5-[1,1-dimethyl-6,8-disulfo-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-8-sulfo-3-(4-sulfobutyl)benzo[e]indole-6-sulfonate

InChIKey	`RUVHVYMIMBVNKN-YQGUEOHTSA-N`
Compound Name	(2E)-2-[(2Z,4E)-3-[4-[3-[2-[2-[2-[3-[2-[2-[2-[[(2S)-1-[[(1R)-1-[[(2S)-2-carboxy-4-phenylbutyl]-hydroxyphosphoryl]ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]-5-[1,1-dimethyl-6,8-disulfo-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-8-sulfo-3-(4-sulfobutyl)benzo[e]indole-6-sulfonate
Canonical SMILES	`C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(C(=C\C=C2\N(CCCCS(=O)(=O)O)c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc4c3C2(C)C)/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)cc1)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Cross-Family
Avg pChEMBL	7.77
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P15085	CPA1	Homo sapiens	Human	PF00246 PF02244	10.1	Ki	ChEMBL;BindingDB
P48052	CPA2	Homo sapiens	Human	PF00246 PF02244	8.3	Ki	ChEMBL;BindingDB
Q9UI42	CPA4	Homo sapiens	Human	PF00246 PF02244	8.2	Ki	ChEMBL;BindingDB
P45452	MMP13	Homo sapiens	Human	PF00045 PF00413 PF01471	6.2	Ki	ChEMBL;BindingDB
P09238	MMP10	Homo sapiens	Human	PF00045 PF00413 PF01471	6.0	Ki	ChEMBL;BindingDB