SEQ2FUN

BioLiP

PDB CCD ID: EOE
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O2
InChI: InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKey: ADSALMJPJUKESW-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C[C@@H]1CCCN1
OpenEye OEToolkits 2.0.6C1C[C@H](NC1)CC(=O)O
CACTVS 3.385OC(=O)C[CH]1CCCN1
OpenEye OEToolkits 2.0.6C1CC(NC1)CC(=O)O
Name:beta3-proline
ChEMBL: CHEMBL1164855
ZINC: ZINC000002504856
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).