BRY

(2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE

Created:	2005-01-10
Last modified:	2011-06-04

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1 entries where BRY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

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Chemical Component Summary
Name	(2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE
Systematic Name (OpenEye OEToolkits)	(3Z)-5-bromo-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one
Formula	C₁₆ H₉ Br N₂ O₂
Molecular Weight	341.159
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C/4c1ccccc1NC\4=C3/c2cc(Br)ccc2NC3=O
SMILES	CACTVS	3.341	Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(=O)C(=C3c4cc(ccc4NC3=O)Br)N2
Canonical SMILES	CACTVS	3.341	Brc1ccc2NC(=O)/C(=C/3Nc4ccccc4C/3=O)c2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)Br)/N2
InChI	InChI	1.03	InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,18H,(H,19,21)/b14-13-
InChIKey	InChI	1.03	IEQQJQHHJMQETK-YPKPFQOOSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB07493
Name	5-Bromoindirubin
Groups	experimental
Synonyms	5-Bromoindirubin (2Z)-5'-bromo-2,3'-biindole-2',3(1H,1'H)-dione ammoniate
CAS number	60874-72-8

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	unknown

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