SEQ2FUN

BioLiP

PDB CCD ID: A1CIU
Number of entries in BioLiP: 2
Chemical formula: C16 H14 N2
InChI: InChI=1S/C16H14N2/c1-12-4-2-6-15-14(12)5-3-7-16(15)18-13-8-10-17-11-9-13/h2-11H,1H3,(H,17,18)
InChIKey: WUHPUCOIAGCLKE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1cccc2c1cccc2Nc3ccncc3
ACDLabs 14.52Cc1cccc2c(cccc21)Nc1ccncc1
CACTVS 3.385Cc1cccc2c(Nc3ccncc3)cccc12
Name:N-(5-methylnaphthalen-1-yl)pyridin-4-amine
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).