BioLiP

PDB

BioLiP

PDB CCD ID:

NZJ

Number of entries in BioLiP:

Chemical formula:

C14 H18 N2 O2

InChI:

InChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)14(18)16-7-5-11(6-8-16)13(15)17/h2-4,9,11H,5-8H2,1H3,(H2,15,17)

InChIKey:

VSYPROQBASLXDK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N1(CCC(CC1)C(N)=O)C(c2cccc(c2)C)=O
CACTVS 3.385	Cc1cccc(c1)C(=O)N2CCC(CC2)C(N)=O
OpenEye OEToolkits 2.0.6	Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N

Name:

1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide

ZINC:

ZINC000000255976

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).