SEQ2FUN

BioLiP

PDB CCD ID: B1A
Number of entries in BioLiP: 3
Chemical formula: C14 H14 N2 O
InChI: InChI=1S/C14H14N2O/c1-11(17)15-13-7-9-14(10-8-13)16-12-5-3-2-4-6-12/h2-10,16H,1H3,(H,15,17)
InChIKey: QAIADKFUCPEVKW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)Nc1ccc(cc1)Nc2ccccc2
CACTVS 3.385CC(=O)Nc1ccc(Nc2ccccc2)cc1
Name:~{N}-(4-phenylazanylphenyl)ethanamide
ChEMBL: CHEMBL1543600
ZINC: ZINC000000289523
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).