BioLiP

PDB

BioLiP

PDB CCD ID:

SZX

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O3

InChI:

InChI=1S/C10H12N2O3/c13-10(8-7-14-5-6-15-8)12-9-3-1-2-4-11-9/h1-4,8H,5-7H2,(H,11,12,13)/t8-/m1/s1

InChIKey:

MYQOETKNJQIOKN-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccnc(c1)NC(=O)[C@H]2COCCO2
CACTVS 3.385	O=C(Nc1ccccn1)[C@H]2COCCO2
ACDLabs 12.01	O=C(Nc1ccccn1)C1COCCO1
OpenEye OEToolkits 2.0.7	c1ccnc(c1)NC(=O)C2COCCO2
CACTVS 3.385	O=C(Nc1ccccn1)[CH]2COCCO2

Name:

(2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide

ZINC:

ZINC000032912547

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).