SEQ2FUN

BioLiP

PDB CCD ID: 91F
Number of entries in BioLiP: 2
Chemical formula: C15 H12 N2 O S
InChI: InChI=1S/C15H12N2OS/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKey: RINHPBSTNZTFJF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
ACDLabs 12.01O=C2c3ccccc3N=C(c1ccc(SC)cc1)N2
Name:2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one
ZINC: ZINC000006427488
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).