SEQ2FUN

BioLiP

PDB CCD ID: A20
Number of entries in BioLiP: 1
Chemical formula: C3 H9 N O3 S
InChI: InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)
InChIKey: SNKZJIOFVMKAOJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CN)CS(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)CCCN
CACTVS 3.370NCCC[S](O)(=O)=O
Name:3-aminopropane-1-sulfonic acid
ChEMBL: CHEMBL149082
DrugBank: DB06527
ZINC: ZINC000001529636
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).