BioLiP

PDB

BioLiP

PDB CCD ID:

DSJ

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O2

InChI:

InChI=1S/C8H9NO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,9H2,1H3

InChIKey:

QQZFVONVJPXCSQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(=O)c1ccc(cc1O)N
ACDLabs 12.01	c1(O)cc(ccc1C(=O)C)N
CACTVS 3.385	CC(=O)c1ccc(N)cc1O

Name:

1-(4-amino-2-hydroxyphenyl)ethan-1-one

ZINC:

ZINC000000157818

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).