SEQ2FUN

BioLiP

PDB CCD ID: ZAW
Number of entries in BioLiP: 0
Chemical formula: C11 H8 N2 O
InChI: InChI=1S/C11H8N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h1-8H
InChIKey: AQLPDLOXKZRZEV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cnc1)C(=O)c2cccnc2
ACDLabs 12.01
CACTVS 3.385		O=C(c1cccnc1)c2cccnc2
Name:di(pyridin-3-yl)methanone
ChEMBL: CHEMBL1604922
ZINC: ZINC000000346100
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).