BioLiP

PDB

BioLiP

PDB CCD ID:

M5H

Number of entries in BioLiP:

Chemical formula:

C10 H12 N4

InChI:

InChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h1-4,10-12H,5-6H2,(H,13,14)

InChIKey:

UPWGIYRWPULZDG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c([nH]n2)C3NCCN3
CACTVS 3.385	C1CNC(N1)c2[nH]nc3ccccc23

Name:

3-imidazolidin-2-yl-2~{H}-indazole

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).