BioLiP

PDB

BioLiP

PDB CCD ID:

9U1

Number of entries in BioLiP:

Chemical formula:

C2 H6 N4 O

InChI:

InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)

InChIKey:

SQSPRWMERUQXNE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(=NC(=O)N)(N)N
CACTVS 3.385	NC(N)=NC(N)=O
ACDLabs 12.01	N\C(N)=N/C(N)=O

Name:

N-(diaminomethylidene)urea

ZINC:

ZINC000003875935

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).