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BioLiP

PDB CCD ID: M58
Number of entries in BioLiP: 2
Chemical formula: C6 H8 N2 S
InChI: InChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2/t6-/m1/s1
InChIKey: FNWRZJSHJIXOOI-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@H](S)c1cccnc1
OpenEye OEToolkits 2.0.7c1cc(cnc1)C(N)S
OpenEye OEToolkits 2.0.7c1cc(cnc1)[C@H](N)S
CACTVS 3.385N[CH](S)c1cccnc1
Name:(~{R})-azanyl(pyridin-3-yl)methanethiol
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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