BioLiP

PDB

BioLiP

PDB CCD ID:

75K

Number of entries in BioLiP:

Chemical formula:

C8 H7 N O3

InChI:

InChI=1S/C8H7NO3/c1-4-3-6-7(8(10)11-4)9-5(2)12-6/h3H,1-2H3

InChIKey:

ZJAOWOARDLUNKM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=Cc2oc(C)nc2C(=O)O1
OpenEye OEToolkits 1.7.6	Cc1nc2c(o1)C=C(OC2=O)C

Name:

2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE

ZINC:

ZINC000584905273

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).