SEQ2FUN

BioLiP

PDB CCD ID: Y8M
Number of entries in BioLiP: 1
Chemical formula: C15 H17 N
InChI: InChI=1S/C15H17N/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8,16H2
InChIKey: DKHXRITYSLFMSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCc2ccc(cc2)N
CACTVS 3.385Nc1ccc(CCCc2ccccc2)cc1
Name:4-(3-phenylpropyl)aniline
ZINC: ZINC000039290761
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).