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BioLiP

PDB CCD ID: 9RT
Number of entries in BioLiP: 1
Chemical formula: C13 H15 N3 O2 S
InChI: InChI=1S/C13H15N3O2S/c14-9-11-4-6-13(7-5-11)19(17,18)16-10-12-3-1-2-8-15-12/h1-8,16H,9-10,14H2
InChIKey: XVNHUDOTGRKSHU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1ccc(cc1)[S](=O)(=O)NCc2ccccn2
OpenEye OEToolkits 2.0.6c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)CN
Name:4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide
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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