BioLiP

PDB

BioLiP

PDB CCD ID:

19J

Number of entries in BioLiP:

Chemical formula:

C11 H11 N7 O5

InChI:

InChI=1S/C11H11N7O5/c12-11-17-8-7(10(23)18-11)14-1-4(16-8)9(22)15-2-5(19)13-3-6(20)21/h1H,2-3H2,(H,13,19)(H,15,22)(H,20,21)(H3,12,16,17,18,23)

InChIKey:

WMBGGQNJJUXOQV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC1=NC(=O)c2ncc(nc2N1)C(=O)NCC(=O)NCC(O)=O
OpenEye OEToolkits 1.7.6	c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O

Name:

2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid

ZINC:

ZINC000095920653

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).