BioLiP

PDB

BioLiP

PDB CCD ID:

B2E

Number of entries in BioLiP:

Chemical formula:

C9 H11 N3 O6

InChI:

InChI=1S/C9H11N3O6/c1-11-7(16)5(6(15)10-3-4(13)14)8(17)12(2)9(11)18/h16H,3H2,1-2H3,(H,10,15)(H,13,14)

InChIKey:

FFGCBWXERBBRBA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C(=C(C(=O)NCC(O)=O)C(=O)N(C)C1=O)O
OpenEye OEToolkits 2.0.6	CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O

Name:

(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine

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).