BioLiP

PDB

BioLiP

PDB CCD ID:

M4I

Number of entries in BioLiP:

Chemical formula:

C11 H14 N4 O

InChI:

InChI=1S/C11H14N4O/c1-6(2)10-9-7(11(16)12-3)4-13-5-8(9)14-15-10/h4-6H,1-3H3,(H,12,16)(H,14,15)

InChIKey:

GEGYOOMXCGLHBJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)c1c2c(cncc2[nH]n1)C(=O)NC
CACTVS 3.385	CNC(=O)c1cncc2[nH]nc(C(C)C)c12

Name:

~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide

ChEMBL:

CHEMBL5209143

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).