SEQ2FUN

BioLiP

PDB CCD ID: UA5
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N O3 S
InChI: InChI=1S/C8H11NO3S/c1-2-7-3-5-8(6-4-7)9-13(10,11)12/h3-6,9H,2H2,1H3,(H,10,11,12)
InChIKey: HXARYYGNSVTEFC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCc1ccc(N[S](O)(=O)=O)cc1
ACDLabs 10.04O=S(=O)(O)Nc1ccc(cc1)CC
OpenEye OEToolkits 1.5.0CCc1ccc(cc1)NS(=O)(=O)O
Name:(4-ETHYLPHENYL)SULFAMIC ACID
DrugBank: DB08678
ZINC: ZINC000016052169
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).