SEQ2FUN

BioLiP

PDB CCD ID: A1CVX
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O
InChI: InChI=1S/C10H14N2O/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7,11H2
InChIKey: ZJWLMZURLIHVHE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cccc(c1)N2CCOCC2
ACDLabs 14.52Nc1cc(ccc1)N1CCOCC1
OpenEye OEToolkits 3.1.0.0c1cc(cc(c1)N2CCOCC2)N
Name:3-(morpholin-4-yl)aniline
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).