BioLiP

PDB

BioLiP

PDB CCD ID:

8AQ

Number of entries in BioLiP:

Chemical formula:

C15 H21 N O3

InChI:

InChI=1S/C15H21NO3/c1-18-14-9-12(7-8-13(14)15(16)17)19-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H2,16,17)

InChIKey:

AELPJNFNRYUNNH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(OCC2CCCCC2)ccc1C(N)=O
OpenEye OEToolkits 2.0.7	COc1cc(ccc1C(=O)N)OCC2CCCCC2

Name:

4-(cyclohexylmethoxy)-2-methoxy-benzamide

ChEMBL:

CHEMBL5185276

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).