NYL

N-ALLYL-ANILINE

Created:	2003-03-27
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where NYL 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	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-ALLYL-ANILINE
Systematic Name (OpenEye OEToolkits)	N-prop-2-enylaniline
Formula	C₉ H₁₁ N
Molecular Weight	133.19
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	C(=C)\CNc1ccccc1
SMILES	CACTVS	3.341	C=CCNc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	C=CCNc1ccccc1
Canonical SMILES	CACTVS	3.341	C=CCNc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C=CCNc1ccccc1
InChI	InChI	1.03	InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKey	InChI	1.03	LQFLWKPCQITJIH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02870
Name	N-Allylaniline
Groups	experimental
Synonyms	N-Allylaniline
CAS number	589-09-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Endolysin	MNIFEMLRIDERLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI...	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