SEQ2FUN

BioLiP

PDB CCD ID: N6Y
Number of entries in BioLiP: 2
Chemical formula: C11 H10 N2
InChI: InChI=1S/C11H10N2/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1-8H,12H2
InChIKey: YTJQJGKMRLQBJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cccc(c1)c2cccnc2
OpenEye OEToolkits 1.7.6c1cc(cc(c1)N)c2cccnc2
ACDLabs 12.01c1cncc(c1)c2cc(N)ccc2
Name:3-(pyridin-3-yl)aniline
ChEMBL: CHEMBL1778131
ZINC: ZINC000004271684
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).