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BioLiP

PDB CCD ID: T2H
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3 O S
InChI: InChI=1S/C10H11N3OS/c1-2-14-8-5-3-4-7(6-8)9-12-13-10(11)15-9/h3-6H,2H2,1H3,(H2,11,13)
InChIKey: APEORNRUGDLVDP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOc1cccc(c1)c2sc(N)nn2
OpenEye OEToolkits 2.0.7CCOc1cccc(c1)c2nnc(s2)N
Name:5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
ZINC: ZINC000000449195
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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