BioLiP

PDB

BioLiP

PDB CCD ID:

LQV

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O2

InChI:

InChI=1S/C11H14N2O2/c1-8-4-5-10(12-7-8)13-11(14)9-3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,13,14)/t9-/m0/s1

InChIKey:

BFRXGCPOQMOBHK-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2
ACDLabs 12.01	O=C(Nc1ccc(C)cn1)C1CCCO1
CACTVS 3.385	Cc1ccc(NC(=O)[C@@H]2CCCO2)nc1
CACTVS 3.385	Cc1ccc(NC(=O)[CH]2CCCO2)nc1
OpenEye OEToolkits 2.0.7	Cc1ccc(nc1)NC(=O)C2CCCO2

Name:

(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide

ZINC:

ZINC000004750341

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).