IXM

(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME

Created:	2003-08-06
Last modified:	2021-03-01

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3 entries where IXM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

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Chemical Component Summary
Name	(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME
Synonyms	INDIRUBIN-3'-MONOXIME
Systematic Name (OpenEye OEToolkits)	(3Z)-3-[(3E)-3-hydroxyimino-1H-indol-2-ylidene]-1H-indol-2-one
Formula	C₁₆ H₁₁ N₃ O₂
Molecular Weight	277.277
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2C(\c1ccccc1N2)=C4\C(=N\O)\c3ccccc3N4
SMILES	CACTVS	3.341	ON=C1C(Nc2ccccc12)=C3C(=O)Nc4ccccc34
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2
Canonical SMILES	CACTVS	3.341	O/N=C1/C(Nc2ccccc12)=C3/C(=O)Nc4ccccc34
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2
InChI	InChI	1.03	InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+
InChIKey	InChI	1.03	HBDSHCUSXQATPO-BGBJRWHRSA-N

Drug Info: DrugBank

DrugBank ID	DB02052
Name	Indirubin-3'-monoxime
Groups	experimental
Synonyms	Indirubin-3'-monoxime 1H,1'H-[2,3']biindolylidene3,2'-dione-3-oxime
Categories	Amines Heterocyclic Compounds, Fused-Ring Hydroxylamines

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 5 activator 1	MGTVLSLSPSYRKATLFEDGAATVGHYTAVQNSKNAKDKNLKRHSIISVL...	unknown
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	unknown	inhibitor
Aryl hydrocarbon receptor	MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRL...	unknown	agonist
Glycogen synthase kinase-3 beta	MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDR...	unknown
Cyclin-dependent kinase 5	MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALR...	unknown	inhibitor
Cyclin-dependent kinase 1	MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIR...	unknown	binder
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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