BioLiP

PDB

BioLiP

PDB CCD ID:

4FM

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl N4 O2

InChI:

InChI=1S/C10H9ClN4O2/c11-7-3-1-6(2-4-7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16)

InChIKey:

WIWIWZDRJHCWJZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(ccc1CNC(=O)c2c(non2)N)Cl
CACTVS 3.385	Nc1nonc1C(=O)NCc2ccc(Cl)cc2
ACDLabs 12.01	c1c(ccc(c1)Cl)CNC(c2c(non2)N)=O

Name:

4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide

ZINC:

ZINC000000340313

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).