BioLiP

PDB

BioLiP

PDB CCD ID:

O2P

Number of entries in BioLiP:

Chemical formula:

C15 H15 N O2

InChI:

InChI=1S/C15H15NO2/c1-10-7-8-13(14(17)9-10)16-15(18)12-6-4-3-5-11(12)2/h3-9,17H,1-2H3,(H,16,18)

InChIKey:

JAUMLWIGYIWUPO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(NC(=O)c2ccccc2C)c(O)c1
OpenEye OEToolkits 2.0.6	Cc1ccc(c(c1)O)NC(=O)c2ccccc2C
ACDLabs 12.01	N(c1ccc(cc1O)C)C(=O)c2ccccc2C

Name:

N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide

ZINC:

ZINC000000383776

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).