BioLiP

PDB

BioLiP

PDB CCD ID:

NW7

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3 O3

InChI:

InChI=1S/C11H13N3O3/c1-4-8-10(7(3)17-13-8)11(15)12-9-5-6(2)16-14-9/h5H,4H2,1-3H3,(H,12,14,15)

InChIKey:

OZMHRDLCZDDXRS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1noc(C)c1C(=O)Nc2cc(C)on2
ACDLabs 12.01	n2oc(C)c(C(Nc1noc(c1)C)=O)c2CC
OpenEye OEToolkits 2.0.6	CCc1c(c(on1)C)C(=O)Nc2cc(on2)C

Name:

3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide

ZINC:

ZINC000000373530

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).