BioLiP

PDB

BioLiP

PDB CCD ID:

ZHY

Number of entries in BioLiP:

Chemical formula:

C20 H20 N4 O4

InChI:

InChI=1S/C20H20N4O4/c1-26-16-8-14(9-17(27-2)19(16)28-3)23-18-11-22-10-15(24-18)12-4-6-13(7-5-12)20(21)25/h4-11H,1-3H3,(H2,21,25)(H,23,24)

InChIKey:

LZLKDDDQYGMZTB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc(cc(c1OC)OC)Nc2cncc(n2)c3ccc(cc3)C(=O)N
CACTVS 3.385	COc1cc(Nc2cncc(n2)c3ccc(cc3)C(N)=O)cc(OC)c1OC
ACDLabs 12.01	NC(=O)c1ccc(cc1)c1cncc(Nc2cc(OC)c(OC)c(OC)c2)n1

Name:

4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide

ChEMBL:

CHEMBL484307

ZINC:

ZINC000038267733

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).