BioLiP

PDB

BioLiP

PDB CCD ID:

8AE

Number of entries in BioLiP:

Chemical formula:

C12 H15 N O2

InChI:

InChI=1S/C12H15NO2/c13-12(14)10-4-6-11(7-5-10)15-8-9-2-1-3-9/h4-7,9H,1-3,8H2,(H2,13,14)

InChIKey:

BFGNGDGWDOFCPT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(=O)N)OCC2CCC2
CACTVS 3.385	NC(=O)c1ccc(OCC2CCC2)cc1

Name:

4-(cyclobutylmethoxy)benzamide

ChEMBL:

CHEMBL5186967

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).