SEQ2FUN

BioLiP

PDB CCD ID: 3W6
Number of entries in BioLiP: 3
Chemical formula: C9 H13 N O3 S
InChI: InChI=1S/C9H13NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
InChIKey: GWLVKQMJYAXAFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N)c1ccc(OCCC)cc1
OpenEye OEToolkits 1.7.6CCCOc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385CCCOc1ccc(cc1)[S](N)(=O)=O
Name:4-propoxybenzenesulfonamide
ChEMBL: CHEMBL3402959
ZINC: ZINC000037023814
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).