BioLiP

PDB

BioLiP

PDB CCD ID:

GT4

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O3

InChI:

InChI=1S/C9H11NO3/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)

InChIKey:

NSZUGQROUUTGGI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COCC(=O)Nc1ccc(cc1)O
CACTVS 3.385	COCC(=O)Nc1ccc(O)cc1

Name:

~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide

ZINC:

ZINC000000363785

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).