BioLiP

PDB

BioLiP

PDB CCD ID:

UAW

Number of entries in BioLiP:

Chemical formula:

C13 H18 N2 O2

InChI:

InChI=1S/C13H18N2O2/c1-10-6-8-15(9-7-10)13(17)14-11-2-4-12(16)5-3-11/h2-5,10,16H,6-9H2,1H3,(H,14,17)

InChIKey:

UZAHGCAHTQUCTG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1CCN(CC1)C(=O)Nc2ccc(cc2)O
CACTVS 3.385	CC1CCN(CC1)C(=O)Nc2ccc(O)cc2

Name:

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

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).