SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C16 H14 N2 O3

InChI:

InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)

InChIKey:

XZWFHJUEAVOHHG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	ONC(=O)CCOc1ccc(cc1)c2ccc(cc2)C#N
OpenEye OEToolkits 1.5.0	c1cc(ccc1C#N)c2ccc(cc2)OCCC(=O)NO
ACDLabs 10.04	N#Cc2ccc(c1ccc(OCCC(=O)NO)cc1)cc2

Name:

3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide

ChEMBL:

DrugBank:

ZINC:

ZINC000000022419

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).