SEQ2FUN

BioLiP

PDB CCD ID: URP
Number of entries in BioLiP: 26
Chemical formula: C4 H8 N2 O3
InChI: InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
InChIKey: JSJWCHRYRHKBBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CCNC(=O)N
OpenEye OEToolkits 1.5.0C(CNC(=O)N)C(=O)O
CACTVS 3.341NC(=O)NCCC(O)=O
Name:N-(AMINOCARBONYL)-BETA-ALANINE;
N-CARBAMYL-BETA-ALANINE;
BETA-UREIDOPROPIONATE
ChEMBL: CHEMBL20962
ZINC: ZINC000082071923
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).