BioLiP

PDB

BioLiP

PDB CCD ID:

A1IS0

Number of entries in BioLiP:

Chemical formula:

C12 H10 N4

InChI:

InChI=1S/C12H10N4/c13-11-10-9(8-4-2-1-3-5-8)6-7-14-12(10)16-15-11/h1-7H,(H3,13,14,15,16)

InChIKey:

GFHKPJCWBZMRSN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccnc3c2c([nH]n3)N
CACTVS 3.385	Nc1[nH]nc2nccc(c3ccccc3)c12

Name:

4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

ChEMBL:

CHEMBL428968

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).