BioLiP

PDB

BioLiP

PDB CCD ID:

ERX

Number of entries in BioLiP:

Chemical formula:

C22 H21 N3 O3

InChI:

InChI=1S/C22H21N3O3/c1-14-5-7-15(8-6-14)17-13-21-23-10-9-18(25(21)24-17)16-11-19(26-2)22(28-4)20(12-16)27-3/h5-13H,1-4H3

InChIKey:

JSNTVTRKXKWPFD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(cc(OC)c1OC)c2ccnc3cc(nn23)c4ccc(C)cc4
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)c2cc3nccc(n3n2)c4cc(c(c(c4)OC)OC)OC

Name:

2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

ChEMBL:

CHEMBL4744318

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).