SEQ2FUN

BioLiP

PDB CCD ID: MWQ
Number of entries in BioLiP: 1
Chemical formula: C6 H8 N2 O2
InChI: InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKey: ZCKYOWGFRHAZIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCc1[nH]cnc1
OpenEye OEToolkits 2.0.7c1c([nH]cn1)CCC(=O)O
Name:3-(1~{H}-imidazol-5-yl)propanoic acid
ChEMBL: CHEMBL84253
ZINC: ZINC000091688852
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).