BioLiP

PDB

BioLiP

PDB CCD ID:

D8N

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O2

InChI:

InChI=1S/C11H12N2O2/c1-8(14)13-10-4-2-9(3-5-10)11-6-7-12-15-11/h2-5,7,11H,6H2,1H3,(H,13,14)/t11-/m1/s1

InChIKey:

NXJZQAOQHFVDJW-LLVKDONJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1ccc(cc1)[CH]2CC=NO2
OpenEye OEToolkits 2.0.6	CC(=O)Nc1ccc(cc1)C2CC=NO2
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(=O)Nc1ccc(cc1)[C@H]2CC=NO2

Name:

~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide

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).