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BioLiP

PDB CCD ID: RWS
Number of entries in BioLiP: 7
Chemical formula: C8 H13 N3 S
InChI: InChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3
InChIKey: IIDJDXATFNHHGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1nnc(s1)N2CCCCC2
CACTVS 3.385Cc1sc(nn1)N2CCCCC2
ACDLabs 12.01n1nc(C)sc1N2CCCCC2
Name:1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine
ZINC: ZINC000084291760
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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