SEQ2FUN

BioLiP

PDB CCD ID: MMU
Number of entries in BioLiP: 2
Chemical formula: C3 H8 N2 O
InChI: InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02O=C(NC)NC
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CNC(=O)NC
Name:1,3-dimethylurea
ChEMBL: CHEMBL1234380
ZINC: ZINC000001653257
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).