BioLiP

PDB

BioLiP

PDB CCD ID:

F7U

Number of entries in BioLiP:

Chemical formula:

C10 H14 N6 O4

InChI:

InChI=1S/C10H14N6O4/c11-10-14-8-7(9(20)15-10)12-4-16(8)1-6(19)13-5(2-17)3-18/h4-5,17-18H,1-3H2,(H,13,19)(H3,11,14,15,20)

InChIKey:

WJAFTVKFSUWOIX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=Nc2n(CC(=O)NC(CO)CO)cnc2C(=O)N1
OpenEye OEToolkits 2.0.7	c1nc2c(n1CC(=O)NC(CO)CO)N=C(NC2=O)N

Name:

2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[1,3-bis(oxidanyl)propan-2-yl]ethanamide

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).