BioLiP

PDB

BioLiP

PDB CCD ID:

LJO

Number of entries in BioLiP:

Chemical formula:

C12 H13 N3 O2

InChI:

InChI=1S/C12H13N3O2/c1-9-2-4-14-6-10(9)15-11(16)12(7-13)3-5-17-8-12/h2,4,6H,3,5,8H2,1H3,(H,15,16)/t12-/m1/s1

InChIKey:

UDNOYHYGEXMWIJ-GFCCVEGCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)C2(CCOC2)C#N
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)[C@]2(CCOC2)C#N
ACDLabs 12.01	N#CC1(CCOC1)C(=O)Nc1cnccc1C
CACTVS 3.385	Cc1ccncc1NC(=O)[C]2(CCOC2)C#N

Name:

(3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide

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).