BioLiP

PDB

BioLiP

PDB CCD ID:

2AL

Number of entries in BioLiP:

Chemical formula:

C4 H4 N4 O3

InChI:

InChI=1S/C4H4N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h(H4,5,6,7,8,9,10,11)

InChIKey:

MFAONEQLPARJAO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1C(=NC(=O)N1)NC(=O)N
CACTVS 3.341	NC(=O)NC1=NC(=O)NC1=O
OpenEye OEToolkits 1.5.0	C1(=O)C(=NC(=O)N1)NC(=O)N

Name:

1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL-4-YL)UREA;
ALLANTOIN

ZINC:

ZINC000024779397

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).