SEQ2FUN

BioLiP

PDB CCD ID: NYL
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N
InChI: InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKey: LQFLWKPCQITJIH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04C(=C)\CNc1ccccc1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C=CCNc1ccccc1
Name:N-ALLYL-ANILINE
ChEMBL: CHEMBL1234871
DrugBank: DB02870
ZINC: ZINC000012363587
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).