BioLiP

PDB

BioLiP

PDB CCD ID:

OXG

Number of entries in BioLiP:

Chemical formula:

C5 H3 N5 O2

InChI:

InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)

InChIKey:

UBKVUFQGVWHZIR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1=NC2=NC(=O)N=C2C(=O)N1
ACDLabs 10.04	O=C1C2=NC(=O)N=C2N=C(N1)N
OpenEye OEToolkits 1.5.0	C12=NC(=O)N=C1N=C(NC2=O)N

Name:

8-OXOGUANINE

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).