BioLiP

PDB

BioLiP

PDB CCD ID:

H89

Number of entries in BioLiP:

Chemical formula:

C26 H20 N4 O3

InChI:

InChI=1S/C26H20N4O3/c31-26(32)22-14-24(20-6-8-21(9-7-20)33-17-19-4-2-1-3-5-19)29-25-23(22)15-28-30(25)16-18-10-12-27-13-11-18/h1-15H,16-17H2,(H,31,32)

InChIKey:

LEKPQTJLNDALBT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1ccc(cc1)COc2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O
CACTVS 3.370	OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccc(OCc5ccccc5)cc4
ACDLabs 12.01	O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c5ccc(OCc4ccccc4)cc5

Name:

6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

ChEMBL:

CHEMBL2324555

ZINC:

ZINC000095584565

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).