BioLiP

PDB

BioLiP

PDB CCD ID:

WS4

Number of entries in BioLiP:

Chemical formula:

C11 H11 N3 O2

InChI:

InChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16)

InChIKey:

BOTWCSZQXQBVCZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cc(cn1)C(=O)Nc2ccc(O)cc2
ACDLabs 12.01	n2n(cc(C(=O)Nc1ccc(cc1)O)c2)C
OpenEye OEToolkits 2.0.7	Cn1cc(cn1)C(=O)Nc2ccc(cc2)O

Name:

N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide

ZINC:

ZINC000020216228

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).