BioLiP

PDB

BioLiP

PDB CCD ID:

LVM

Number of entries in BioLiP:

Chemical formula:

C14 H18 N2 O

InChI:

InChI=1S/C14H18N2O/c1-10-2-5-15-9-12(10)16-13(17)6-11-7-14(8-11)3-4-14/h2,5,9,11H,3-4,6-8H2,1H3,(H,16,17)

InChIKey:

BEZLDJLMZNYTJV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(Nc1cnccc1C)CC1CC2(CC2)C1
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)CC2CC3(C2)CC3
CACTVS 3.385	Cc1ccncc1NC(=O)CC2CC3(CC3)C2

Name:

N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide

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).