SEQ2FUN

BioLiP

PDB CCD ID: 7MZ
Number of entries in BioLiP: 1
Chemical formula: C12 H10 N2 O2
InChI: InChI=1S/C12H10N2O2/c1-9(15)10-4-2-5-11(8-10)16-12-13-6-3-7-14-12/h2-8H,1H3
InChIKey: OMHNTGPQUCHKHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)c1cccc(c1)Oc2ncccn2
CACTVS 3.385CC(=O)c1cccc(Oc2ncccn2)c1
Name:1-(3-pyrimidin-2-yloxyphenyl)ethanone
ChEMBL: CHEMBL1612460
ZINC: ZINC000000170272
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).