BioLiP

PDB

BioLiP

PDB CCD ID:

S9P

Number of entries in BioLiP:

Chemical formula:

C8 H7 N O2

InChI:

InChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3

InChIKey:

RZKJWYDRDBVDJJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1oc2cc(O)ccc2n1
OpenEye OEToolkits 2.0.6	Cc1nc2ccc(cc2o1)O

Name:

2-methyl-1,3-benzoxazol-6-ol

ZINC:

ZINC000000039661

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).