BioLiP

PDB

BioLiP

PDB CCD ID:

HTJ

Number of entries in BioLiP:

Chemical formula:

C19 H14 N4 O2

InChI:

InChI=1S/C19H14N4O2/c24-19(25)15-10-17(14-4-2-1-3-5-14)22-18-16(15)11-21-23(18)12-13-6-8-20-9-7-13/h1-11H,12H2,(H,24,25)

InChIKey:

KCTGBSZXRNRGOD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O
CACTVS 3.370	OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccccc4
ACDLabs 12.01	O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c4ccccc4

Name:

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

ChEMBL:

CHEMBL1233436

ZINC:

ZINC000003888894

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).