BioLiP

PDB

BioLiP

PDB CCD ID:

LHS

Number of entries in BioLiP:

Chemical formula:

C12 H12 F N3 O3

InChI:

InChI=1S/C12H12FN3O3/c1-18-7-10-15-11(16-19-10)12(17)14-6-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,17)

InChIKey:

ABEBQQLGINUBLA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n2c(C(NCc1ccc(F)cc1)=O)noc2COC
OpenEye OEToolkits 2.0.6	COCc1nc(no1)C(=O)NCc2ccc(cc2)F
CACTVS 3.385	COCc1onc(n1)C(=O)NCc2ccc(F)cc2

Name:

N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-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).