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BioLiP

PDB CCD ID: 171
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N O3 S
InChI: InChI=1S/C8H11NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11,12)
InChIKey: IAVHKMVGTPXJIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[S](=O)(=O)CCNc1ccccc1
ACDLabs 10.04O=S(=O)(O)CCNc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)NCCS(=O)(=O)O
Name:2-PHENYLAMINO-ETHANESULFONIC ACID
DrugBank: DB02283
ZINC: ZINC000002170599
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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