SEQ2FUN

BioLiP

PDB CCD ID: 7CD
Number of entries in BioLiP: 0
Chemical formula: C11 H11 N
InChI: InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2
InChIKey: NVSYANRBXPURRQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cccc2CN
CACTVS 3.385NCc1cccc2ccccc12
ACDLabs 12.01c1ccc(c2c1cccc2)CN
Name:1-(naphthalen-1-yl)methanamine
ChEMBL: CHEMBL128633
ZINC: ZINC000001745892
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).