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BioLiP

PDB CCD ID: GQS
Number of entries in BioLiP: 1
Chemical formula: C9 H8 F N3 S
InChI: InChI=1S/C9H8FN3S/c1-6-12-13-9(14-6)11-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,11,13)
InChIKey: YJCLSQDDYPKKDX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1sc(Nc2cccc(F)c2)nn1
ACDLabs 12.01n2nc(Nc1cccc(c1)F)sc2C
OpenEye OEToolkits 2.0.6Cc1nnc(s1)Nc2cccc(c2)F
Name:N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
ZINC: ZINC000000088862
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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