BioLiP

PDB

BioLiP

PDB CCD ID:

A1IL2

Number of entries in BioLiP:

Chemical formula:

C12 H8 Cl2 N4

InChI:

InChI=1S/C12H8Cl2N4/c13-9-2-1-7(5-10(9)14)17-11-3-4-15-12-8(11)6-16-18-12/h1-6H,(H2,15,16,17,18)

InChIKey:

QQYMLRIVSWKFOS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Nc2ccnc3c2cn[nH]3)Cl)Cl
CACTVS 3.385	Clc1ccc(Nc2ccnc3[nH]ncc23)cc1Cl

Name:

~{N}-(3,4-dichlorophenyl)-1~{H}-pyrazolo[3,4-b]pyridin-4-amine

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).