BioLiP

PDB

BioLiP

PDB CCD ID:

4Y0

Number of entries in BioLiP:

Chemical formula:

C18 H17 N3 O3

InChI:

InChI=1S/C18H17N3O3/c1-23-15-9-8-13(10-16(15)24-2)18(22)19-17-11-14(20-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21,22)

InChIKey:

QAZJUVDICQNITG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.9.2	COc1ccc(cc1OC)C(=O)Nc2cc([nH]n2)c3ccccc3
ACDLabs 12.01	O=C(Nc2nnc(c1ccccc1)c2)c3ccc(OC)c(OC)c3

Name:

3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide

ZINC:

ZINC000028240588

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).