BioLiP

PDB

BioLiP

PDB CCD ID:

A1IEC

Number of entries in BioLiP:

Chemical formula:

C7 H5 N5

InChI:

InChI=1S/C7H5N5/c1-2-12-6-5(10-4-11-6)3-9-7(12)8-1/h1-4H,(H,10,11)

InChIKey:

DFRVZUMYUNINCB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cn2c3c(cnc2n1)nc[nH]3
CACTVS 3.385	[nH]1cnc2cnc3nccn3c12

Name:

N,2,3-etheno-2-aminopurine;
1~{H}-imidazo[2,1-b]purine

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).