SEQ2FUN

BioLiP

PDB CCD ID: ZYR
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O S
InChI: InChI=1S/C10H10N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13)
InChIKey: NMMOEJUJKIXUQZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1C1CCc2c(c3c(s2)N=CNC3=O)C1
ACDLabs 10.04O=C1c2c3c(sc2N=CN1)CCCC3
CACTVS 3.352O=C1NC=Nc2sc3CCCCc3c12
Name:5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
ChEMBL: CHEMBL539906
DrugBank: DB08777
ZINC: ZINC000017920988
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).