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BioLiP

PDB CCD ID: 22L
Number of entries in BioLiP: 5
Chemical formula: C12 H8 N2 O S
InChI: InChI=1S/C12H8N2OS/c15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H,(H,13,14,15)
InChIKey: OLGMRBGIXZANNV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2NC=Nc1scc(c12)c3ccccc3
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2csc3c2C(=O)NC=N3
CACTVS 3.385O=C1NC=Nc2scc(c3ccccc3)c12
Name:5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
ChEMBL: CHEMBL1369722
ZINC: ZINC000008578704
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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