SEQ2FUN

BioLiP

PDB CCD ID: VNJ
Number of entries in BioLiP: 2
Chemical formula: C8 H9 N O
InChI: InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
InChIKey: GTDQGKWDWVUKTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1ccccc1N)C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC(=O)c1ccccc1N
Name:2-aminoacetophenone
ChEMBL: CHEMBL2251601
ZINC: ZINC000000164490
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).