SEQ2FUN

BioLiP

PDB CCD ID: LWV
Number of entries in BioLiP: 3
Chemical formula: C10 H14 N2 O
InChI: InChI=1S/C10H14N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
InChIKey: QKWLVAYDAHQMLG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)N)N2CCOCC2
CACTVS 3.385Nc1ccccc1N2CCOCC2
Name:2-morpholin-4-ylaniline
ChEMBL: CHEMBL1333997
ZINC: ZINC000000152601
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).