AZO

METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE

Created:	2004-03-28
Last modified:	2021-03-01

Find Related PDB Entry
4 entries where AZO is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	18

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE
Synonyms	AZOXYSTROBIN
Systematic Name (OpenEye OEToolkits)	methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-prop-2-enoate
Formula	C₂₂ H₁₇ N₃ O₅
Molecular Weight	403.387
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC)\C(=C\OC)c3ccccc3Oc2ncnc(Oc1c(C#N)cccc1)c2
SMILES	CACTVS	3.341	COC=C(C(=O)OC)c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2
SMILES	OpenEye OEToolkits	1.5.0	COC=C(c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)C(=O)OC
Canonical SMILES	CACTVS	3.341	CO\C=C(C(=O)OC)/c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CO\C=C(/c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)\C(=O)OC
InChI	InChI	1.03	InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
InChIKey	InChI	1.03	WFDXOXNFNRHQEC-GHRIWEEISA-N

Drug Info: DrugBank

DrugBank ID	DB07401
Name	Azoxystrobin
Groups	experimental
Description	Azoxystrobin is a methoxyacrylate analog and a strobilurin fungicide.
Synonyms	Azoxystrobin
Categories	Acids, Acyclic Acrylates Electron Transport Complex III Fungicides, Industrial Methacrylates
CAS number	131860-33-8

Drug Targets

Name	Target Sequence	Pharmacological Action
Cytochrome c1, heme protein, mitochondrial	MAAAAASLRGVVLGPRGAGLPGARARGLLCSARPGQLPLRTPQAVALSSK...	unknown
Cytochrome b	MTPMRKTNPLMKLINHSFIDLPTPSNISAWWNFGSLLGACLILQITTGLF...	unknown
Cytochrome b-c1 complex subunit 1, mitochondrial	MAASVVCRAATAGAQVLLRARRSPALLRTPALRSTATFAQALQFVPETQV...	unknown
Cytochrome b-c1 complex subunit 2, mitochondrial	MKLLTRAGSFSRFYSLKVAPKVKATAAPAGAPPQPQDLEFTKLPNGLVIA...	unknown
Cytochrome b-c1 complex subunit 6, mitochondrial	MGLEDEQKMLTESGDPEEEEEEEEELVDPLTTVREQCEQLEKCVKARERL...	unknown
Cytochrome b-c1 complex subunit 8	MGREFGNLTRMRHVISYSLSPFEQRAYPHVFTKGIPNVLRRIRESFFRVV...	unknown
Cytochrome b-c1 complex subunit Rieske, mitochondrial	MLSVASRSGPFAPVLSATSRGVAGALRPLVQATVPATPEQPVLDLKRPFL...	unknown
Cytochrome b-c1 complex subunit 10	MVTRFLGPRYRELVKNWVPTAYTWGAVGAVGLVWATDWRLILDWVPYING...	unknown
Cytochrome b-c1 complex subunit 7	MAGKQAVSASGKWLDGIRKWYYNAAGFNKLGLMRDDTIYEDEDVKEAIRR...	unknown
Cytochrome b-c1 complex subunit 9	MAAATLTSKLYSLLFRRTSTFALTIIVGVMFFERAFDQGADAIYDHINEG...	unknown
View More

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682