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BioLiP Library

PDB CCD ID: 91X
Number of entries in BioLiP: 1
Chemical formula: C14 H8 N4 O3 S
InChI: InChI=1S/C14H8N4O3S/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)
InChIKey: VIDCTSLIEZMQRF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c12cc(ccc1C(c3c(S2(=O)=O)cccc3)=O)c4nnnn4
CACTVS 3.385O=C1c2ccccc2[S](=O)(=O)c3cc(ccc13)c4[nH]nnn4
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4
Name:3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione
ChEMBL: CHEMBL22336
ZINC: ZINC000000155293
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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