BioLiP

PDB

BioLiP

PDB CCD ID:

U8X

Number of entries in BioLiP:

Chemical formula:

C11 H11 N3 O2

InChI:

InChI=1S/C11H11N3O2/c15-10-4-2-9(3-5-10)13-11(16)8-14-7-1-6-12-14/h1-7,15H,8H2,(H,13,16)

InChIKey:

BSUVSWPKCMWXTE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnn(c1)CC(=O)Nc2ccc(cc2)O
CACTVS 3.385	Oc1ccc(NC(=O)Cn2cccn2)cc1

Name:

~{N}-(4-hydroxyphenyl)-2-pyrazol-1-yl-ethanamide

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).