BioLiP

PDB

BioLiP

PDB CCD ID:

SYV

Number of entries in BioLiP:

Chemical formula:

C8 H8 N2 O2

InChI:

InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3

InChIKey:

FPNLXQSOWBNXCN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN1c2ccc(cc2OC1=O)N
CACTVS 3.385	CN1C(=O)Oc2cc(N)ccc12

Name:

6-azanyl-3-methyl-1,3-benzoxazol-2-one

ZINC:

ZINC000004418082

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).