BioLiP

PDB

BioLiP

PDB CCD ID:

FJ3

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O3

InChI:

InChI=1S/C12H14N2O3/c1-6(2)7-3-8(11(16)5-10(7)15)9-4-12(13)17-14-9/h3-6,15-16H,13H2,1-2H3

InChIKey:

OMMLTOZTUCUOCZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)c1cc(c(cc1O)O)c2cc(on2)N
CACTVS 3.385	CC(C)c1cc(c(O)cc1O)c2cc(N)on2
ACDLabs 12.01	n1oc(cc1c2c(O)cc(O)c(c2)C(C)C)N

Name:

4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol

ZINC:

ZINC000103541527

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).