BioLiP

PDB

BioLiP

PDB CCD ID:

UAZ

Number of entries in BioLiP:

Chemical formula:

C14 H20 N2 O2

InChI:

InChI=1S/C14H20N2O2/c1-11-7-9-16(10-8-11)14(17)15-12-3-5-13(18-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,15,17)

InChIKey:

YJMGSVPGOIBYHC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1CCN(CC1)C(=O)Nc2ccc(cc2)OC
CACTVS 3.385	COc1ccc(NC(=O)N2CCC(C)CC2)cc1

Name:

~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide

ZINC:

ZINC000000397525

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).