SEQ2FUN

BioLiP

PDB CCD ID: LI4
Number of entries in BioLiP: 1
Chemical formula: C16 H14 N2 O
InChI: InChI=1S/C16H14N2O/c17-16-15(9-4-10-18-16)19-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H2,17,18)
InChIKey: SZANYTFSQVBOBA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2COc3cccnc3N
CACTVS 3.341Nc1ncccc1OCc2cccc3ccccc23
ACDLabs 10.04O(c1cccnc1N)Cc3c2ccccc2ccc3
Name:3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE
ChEMBL: CHEMBL195393
DrugBank: DB08093
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).