BioLiP

PDB

BioLiP

PDB CCD ID:

BSA

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(=O)NCCS(=O)(=O)O
CACTVS 3.341	O[S](=O)(=O)CCNC(=O)c1ccccc1
ACDLabs 10.04	O=C(NCCS(=O)(=O)O)c1ccccc1

Name:

2-(BENZOYLAMINO)ETHANESULFONIC ACID

ZINC:

ZINC000006474629

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).