SEQ2FUN

BioLiP

PDB CCD ID: A1I78
Number of entries in BioLiP: 2
Chemical formula: C13 H13 Cl N2
InChI: InChI=1S/C13H13ClN2/c14-12-6-7-13(16-10-12)15-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,16)
InChIKey: OJJOGNKRRKJWCJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(NCCc2ccccc2)nc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCNc2ccc(cn2)Cl
Name:5-chloranyl-~{N}-(2-phenylethyl)pyridin-2-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).