SEQ2FUN

BioLiP

PDB CCD ID: VQZ
Number of entries in BioLiP: 1
Chemical formula: C8 H12 N2 O2 S
InChI: InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,6,9H2,1H3
InChIKey: GUCNMQCZHRIZSR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CS(=O)(=O)Nc1ccccc1CN
ACDLabs 12.01O=S(C)(=O)Nc1ccccc1CN
CACTVS 3.385C[S](=O)(=O)Nc1ccccc1CN
Name:N-[2-(aminomethyl)phenyl]methanesulfonamide
ZINC: ZINC000021958676
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).