SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C6 H5 N5 O2

InChI:

InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)

InChIKey:

GLKCOBIIZKYKFN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=NC2=C(N=CC(=O)N2)C(=O)N1
OpenEye OEToolkits 2.0.6	C1=NC2=C(NC1=O)N=C(NC2=O)N
ACDLabs 12.01	C2=NC=1C(=O)NC(=NC=1NC2=O)N

Name:

2-aminopteridine-4,7(3H,8H)-dione;
isoxanthopterin

ChEMBL:

ZINC:

ZINC000014419577

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).