CEB

2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE

Created:	1999-07-08
Last modified:	2020-06-05

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1 entries where CEB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE
Synonyms	DG-420314
Systematic Name (OpenEye OEToolkits)	(2S)-2-[(4-chloro-6-ethylamino-1,3,5-triazin-2-yl)amino]-2-methyl-butanenitrile
Formula	C₁₀ H₁₅ Cl N₆
Molecular Weight	254.719
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1nc(nc(n1)NC(C#N)(C)CC)NCC
SMILES	CACTVS	3.341	CCNc1nc(Cl)nc(N[C](C)(CC)C#N)n1
SMILES	OpenEye OEToolkits	1.5.0	CCC(C)(C#N)Nc1nc(nc(n1)Cl)NCC
Canonical SMILES	CACTVS	3.341	CCNc1nc(Cl)nc(N[C@@](C)(CC)C#N)n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC[C@@](C)(C#N)Nc1nc(nc(n1)Cl)NCC
InChI	InChI	1.03	InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m0/s1
InChIKey	InChI	1.03	IUCVBFHDSFSEIK-JTQLQIEISA-N

Drug Info: DrugBank

DrugBank ID	DB07551
Name	(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile
Groups	experimental
Synonyms	(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile

Drug Targets

Name	Target Sequence	Pharmacological Action
Photosynthetic reaction center cytochrome c subunit	MKQLIVNSVATVALASLVAGCFEPPPATTTQTGFRGLSMGEVLHPATVKA...	unknown
Reaction center protein H chain	MYHGALAQHLDIAQLVWYAQWLVIWTVVLLYLRREDRREGYPLVEPLGLV...	unknown
Reaction center protein L chain	MALLSFERKYRVRGGTLIGGDLFDFWVGPYFVGFFGVSAIFFIFLGVSLI...	unknown
Reaction center protein M chain	MADYQTIYTQIQARGPHITVSGEWGDNDRVGKPFYSYWLGKIGDAQIGPI...	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