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BioLiP

PDB CCD ID: C9H
Number of entries in BioLiP: 7
Chemical formula: C7 H13 N3 S
InChI: InChI=1S/C7H13N3S/c1-2-3-4-5-11-7-8-6-9-10-7/h6H,2-5H2,1H3,(H,8,9,10)
InChIKey: YDSWCAZMHZEBFW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CCCCCSc1[nH]ncn1
ACDLabs 12.01S(c1ncnn1)CCCCC
Name:5-(pentylsulfanyl)-1H-1,2,4-triazole
ZINC: ZINC000005464211
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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