SEQ2FUN

BioLiP

PDB CCD ID: A1CFX
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O
InChI: InChI=1S/C12H12N2O/c15-11-5-3-4-10(8-11)9-14-12-6-1-2-7-13-12/h1-8,15H,9H2,(H,13,14)
InChIKey: ZGLJYAOGVJLKLM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52
CACTVS 3.385		Oc1cccc(CNc2ccccn2)c1
OpenEye OEToolkits 3.1.0.0c1ccnc(c1)NCc2cccc(c2)O
Name:3-{[(pyridin-2-yl)amino]methyl}phenol
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).