BioLiP

PDB

BioLiP

PDB CCD ID:

8WZ

Number of entries in BioLiP:

Chemical formula:

C12 H10 N2 O2

InChI:

InChI=1S/C12H10N2O2/c1-7-5-8(10-3-2-4-15-10)11-9(6-7)14-12(13)16-11/h2-6H,1H3,(H2,13,14)

InChIKey:

PCWTZLKSTFUZKW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc2nc(N)oc2c(c1)c3occc3
OpenEye OEToolkits 2.0.6	Cc1cc(c2c(c1)nc(o2)N)c3ccco3

Name:

7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine

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).