BioLiP

PDB

BioLiP

PDB CCD ID:

JMZ

Number of entries in BioLiP:

Chemical formula:

C11 H10 N6

InChI:

InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)

InChIKey:

QVWIVWPIJUYRRF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n2c(c1ccc(cc1n2)c3nc(ncc3)N)N
CACTVS 3.370	Nc1nccc(n1)c2ccc3c(N)n[nH]c3c2
OpenEye OEToolkits 1.7.0	c1cc2c(cc1c3ccnc(n3)N)[nH]nc2N

Name:

6-(2-aminopyrimidin-4-yl)-1H-indazol-3-amine

ChEMBL:

CHEMBL1688215

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).