BioLiP

PDB

BioLiP

PDB CCD ID:

I81

Number of entries in BioLiP:

Chemical formula:

C14 H20 N2 O2

InChI:

InChI=1S/C14H20N2O2/c1-18-13-4-2-3-11(9-13)10-16-7-5-12(6-8-16)14(15)17/h2-4,9,12H,5-8,10H2,1H3,(H2,15,17)

InChIKey:

WXCVYHZGCBQABJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cccc(CN2CCC(CC2)C(N)=O)c1
ACDLabs 12.01	NC(=O)C1CCN(Cc2cc(OC)ccc2)CC1
OpenEye OEToolkits 2.0.7	COc1cccc(c1)CN2CCC(CC2)C(=O)N

Name:

1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

ZINC:

ZINC000000819567

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).