BioLiP

PDB

BioLiP

PDB CCD ID:

ONZ

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O5

InChI:

InChI=1S/C10H9NO5/c12-8(13)4-11-10(14)6-2-1-3-7-9(6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13)

InChIKey:

YDSBLSGGADRARS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O
CACTVS 3.385	OC(=O)CNC(=O)c1cccc2OCOc12
ACDLabs 12.01	O=C(O)CNC(=O)c1cccc2OCOc12

Name:

2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid

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).