BioLiP

PDB

BioLiP

PDB CCD ID:

VY6

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O4

InChI:

InChI=1S/C10H13NO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)

InChIKey:

WSBKJYRHFNGTRA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccoc1CN2CCOCC2
OpenEye OEToolkits 2.0.7	c1coc(c1C(=O)O)CN2CCOCC2
ACDLabs 12.01	O=C(O)c1ccoc1CN1CCOCC1

Name:

2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid

ZINC:

ZINC000000316337

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).