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BioLiP

PDB CCD ID: 54X
Number of entries in BioLiP: 2
Chemical formula: C10 H6 N2 O S2
InChI: InChI=1S/C10H6N2OS2/c13-9-8-6(7-2-1-3-14-7)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13)
InChIKey: LFUBTAOTPHKKOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1N=CNc2scc(c3sccc3)c12
OpenEye OEToolkits 1.9.2c1cc(sc1)c2csc3c2C(=O)N=CN3
ACDLabs 12.01O=C1N=CNc2scc(c12)c3cccs3
Name:5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one
ChEMBL: CHEMBL559696
ZINC: ZINC000018125083
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).
  • 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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