BioLiP

PDB

BioLiP

PDB CCD ID:

SB8

Number of entries in BioLiP:

Chemical formula:

C16 H15 N O4

InChI:

InChI=1S/C16H15NO4/c18-12-17(20)9-10-21-15-8-4-7-14(11-15)16(19)13-5-2-1-3-6-13/h1-8,11-12,20H,9-10H2

InChIKey:

ZHFKBNAHHTUQBH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(=O)c2cccc(c2)OCCN(C=O)O
ACDLabs 10.04	O=CN(O)CCOc1cc(ccc1)C(=O)c2ccccc2
CACTVS 3.341	ON(CCOc1cccc(c1)C(=O)c2ccccc2)C=O

Name:

2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE;
SB-543668

DrugBank:

DB08524

ZINC:

ZINC000014976917

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).