BioLiP

PDB

BioLiP

PDB CCD ID:

8SG

Number of entries in BioLiP:

Chemical formula:

C9 H8 N2 O3

InChI:

InChI=1S/C9H8N2O3/c1-6-5-8(14-11-6)10-9(12)7-3-2-4-13-7/h2-5H,1H3,(H,10,12)

InChIKey:

DXEANZHOQJCTFV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cc(on1)NC(=O)c2ccco2
CACTVS 3.385	Cc1cc(NC(=O)c2occc2)on1
ACDLabs 12.01	N(C(=O)c1ccco1)c2cc(C)no2

Name:

N-(3-methyl-1,2-oxazol-5-yl)furan-2-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).