BioLiP

PDB

BioLiP

PDB CCD ID:

AGJ

Number of entries in BioLiP:

Chemical formula:

C18 H20 N2 O4

InChI:

InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)

InChIKey:

GTFAUKGKYICUDS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO
ACDLabs 12.01	O=C(Cc1ccccc1)N(Cc2ccc(C(=O)NO)cc2)CCO
CACTVS 3.385	OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc2ccccc2

Name:

N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide

ChEMBL:

CHEMBL4079541

ZINC:

ZINC000585091601

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).