SEQ2FUN

BioLiP

PDB CCD ID: FQD
Number of entries in BioLiP: 2
Chemical formula: C12 H7 F N2 O S
InChI: InChI=1S/C12H7FN2OS/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(16)14-6-15-12/h1-6H,(H,14,15,16)
InChIKey: DARIIFLATJJEOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2(c1ccc(F)cc1)csc3c2C(=O)NC=N3
OpenEye OEToolkits 2.0.6c1cc(ccc1c2csc3c2C(=O)NC=N3)F
CACTVS 3.385Fc1ccc(cc1)c2csc3N=CNC(=O)c23
Name:5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
ChEMBL: CHEMBL1532322
ZINC: ZINC000008666451
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).