SEQ2FUN

BioLiP

PDB CCD ID: VJP
Number of entries in BioLiP: 2
Chemical formula: C11 H14 N2 O3 S
InChI: InChI=1S/C11H14N2O3S/c12-9-4-6-10(7-5-9)17(15,16)13-8-2-1-3-11(13)14/h4-7H,1-3,8,12H2
InChIKey: OWUDZSOVUCVZKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O
ACDLabs 12.01O=C2N(S(=O)(=O)c1ccc(N)cc1)CCCC2
CACTVS 3.385Nc1ccc(cc1)[S](=O)(=O)N2CCCCC2=O
Name:1-[(4-aminophenyl)sulfonyl]piperidin-2-one
ChEMBL: CHEMBL3414694
ZINC: ZINC000221483241
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).