SEQ2FUN

BioLiP

PDB CCD ID: 68B
Number of entries in BioLiP: 2
Chemical formula: C11 H9 N3 O
InChI: InChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15)
InChIKey: RKVZLNKZLQVUID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Nc1cncnc1)c2ccccc2
ACDLabs 12.01N(c1cncnc1)C(c2ccccc2)=O
OpenEye OEToolkits 2.0.4c1ccc(cc1)C(=O)Nc2cncnc2
Name:N-(pyrimidin-5-yl)benzamide
ChEMBL: CHEMBL3793205
ZINC: ZINC000089224272
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).