SEQ2FUN

BioLiP

PDB CCD ID: A1CFC
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N O S
InChI: InChI=1S/C8H11NOS/c1-11(10)8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
InChIKey: OVDPJXUHQXPHIX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CS(=O)c1ccc(cc1)CN
CACTVS 3.385C[S@@](=O)c1ccc(CN)cc1
ACDLabs 14.52O=S(C)c1ccc(CN)cc1
CACTVS 3.385C[S](=O)c1ccc(CN)cc1
Name:1-{4-[(R)-methanesulfinyl]phenyl}methanamine
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).