BioLiP

PDB

BioLiP

PDB CCD ID:

3T9

Number of entries in BioLiP:

Chemical formula:

C19 H15 N3 O2

InChI:

InChI=1S/C19H15N3O2/c1-24-17-11-13(7-10-16(17)23)15-9-8-14-18(21-22-19(14)20-15)12-5-3-2-4-6-12/h2-11,23H,1H3,(H,20,21,22)

InChIKey:

CCYHSISZPCXEEF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.2	COc1cc(ccc1O)c2ccc3c([nH]nc3n2)c4ccccc4
ACDLabs 12.01	n2c(ccc3c(c1ccccc1)nnc23)c4ccc(O)c(OC)c4

Name:

2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol

ZINC:

ZINC000095921310

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).