BioLiP

PDB

BioLiP

PDB CCD ID:

NNS

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O2

InChI:

InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/f/h9H

InChIKey:

RZVAJINKPMORJF-BGGKNDAXCW

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)Nc1ccc(cc1)O
CACTVS 3.341	CC(=O)Nc1ccc(O)cc1
ACDLabs 10.04	O=C(Nc1ccc(O)cc1)C

Name:

4-ACETYL-AMINOPHENOL;
PARACETAMOL

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).