BioLiP

PDB

BioLiP

PDB CCD ID:

UVE

Number of entries in BioLiP:

Chemical formula:

C15 H13 N O4 S

InChI:

InChI=1S/C15H13NO4S/c17-11-12-5-7-13(8-6-12)21(18,19)16-9-10-20-15-4-2-1-3-14(15)16/h1-8,11H,9-10H2

InChIKey:

PPKCVZZBSKTFSM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O
CACTVS 3.385	O=Cc1ccc(cc1)[S](=O)(=O)N2CCOc3ccccc23

Name:

4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde

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).