BioLiP

PDB

BioLiP

PDB CCD ID:

V32

Number of entries in BioLiP:

Chemical formula:

C12 H13 N O3

InChI:

InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2

InChIKey:

WVDVJQSVTBHGQL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C=O)C(=O)N2CCOCC2
CACTVS 3.385	O=Cc1ccc(cc1)C(=O)N2CCOCC2

Name:

4-morpholin-4-ylcarbonylbenzaldehyde

ZINC:

ZINC000039320504

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).