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BioLiP

PDB CCD ID: RY4
Number of entries in BioLiP: 5
Chemical formula: C8 H12 N2 O2 S
InChI: InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,6,9H2,1H3
InChIKey: IZJVPNBRAKIMBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)Nc1ccc(CN)cc1
ACDLabs 12.01N(S(C)(=O)=O)c1ccc(cc1)CN
OpenEye OEToolkits 2.0.6CS(=O)(=O)Nc1ccc(cc1)CN
Name:N-[4-(aminomethyl)phenyl]methanesulfonamide
ZINC: ZINC000001494962
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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