SEQ2FUN

BioLiP

PDB CCD ID: D8Y
Number of entries in BioLiP: 2
Chemical formula: C13 H13 Cl N2
InChI: InChI=1S/C13H13ClN2/c14-12-5-1-3-10(9-12)6-7-11-4-2-8-16-13(11)15/h1-5,8-9H,6-7H2,(H2,15,16)
InChIKey: XJCJGDOLNLEZIY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(cc(c1)Cl)CCc2cccnc2N
CACTVS 3.352Nc1ncccc1CCc2cccc(Cl)c2
Name:3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine
ChEMBL: CHEMBL575232
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).