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BioLiP

PDB CCD ID: HYR
Number of entries in BioLiP: 3
Chemical formula: C9 H11 N O S
InChI: InChI=1S/C9H11NOS/c12-8-10-6-7-11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,12)
InChIKey: GZNWNJDVFSIFLF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385S=CNCCOc1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)OCCNC=S
Name:N-(2-phenoxyethyl)methanethioamide
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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