SEQ2FUN

BioLiP

PDB CCD ID: D1V
Number of entries in BioLiP: 1
Chemical formula: C8 H6 N2 O S
InChI: InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChIKey: PUPFOFVEHDNUJU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341SC1=Nc2ccccc2C(=O)N1
ACDLabs 10.04O=C1c2c(N=C(S)N1)cccc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)NC(=N2)S
Name:2-mercapto(3H)quinazolinone;
2-sulfanylquinazolin-4(3H)-one
ChEMBL: CHEMBL1232053
ZINC: ZINC000012360233
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).