SEQ2FUN

BioLiP

PDB CCD ID: NSJ
Number of entries in BioLiP: 4
Chemical formula: C11 H15 N O S
InChI: InChI=1S/C11H15NOS/c13-11-3-1-2-10(8-11)9-12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2
InChIKey: NSDQSEGFFDPDRA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cccc(CN2CCSCC2)c1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)O)CN2CCSCC2
ACDLabs 12.01N1(CCSCC1)Cc2cccc(c2)O
Name:3-[(thiomorpholin-4-yl)methyl]phenol
ZINC: ZINC000000237165
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).