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BioLiP Library

PDB CCD ID: BSA
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O4 S
InChI: InChI=1S/C9H11NO4S/c11-9(8-4-2-1-3-5-8)10-6-7-15(12,13)14/h1-5H,6-7H2,(H,10,11)(H,12,13,14)
InChIKey: ABUKAMCDAHVPSR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)NCCS(=O)(=O)O
CACTVS 3.341O[S](=O)(=O)CCNC(=O)c1ccccc1
ACDLabs 10.04O=C(NCCS(=O)(=O)O)c1ccccc1
Name:2-(BENZOYLAMINO)ETHANESULFONIC ACID
ZINC: ZINC000006474629
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)(download the PDF file).
  • 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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