SEQ2FUN

BioLiP

PDB CCD ID: FP9
Number of entries in BioLiP: 0
Chemical formula: C5 H8 F N O2
InChI: InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChIKey: ZIWHMENIDGOELV-DMTCNVIQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C(CNC1C(=O)O)F
ACDLabs 12.01O=C(O)C1NCC(F)C1
CACTVS 3.385OC(=O)[CH]1C[CH](F)CN1
CACTVS 3.385OC(=O)[C@@H]1C[C@@H](F)CN1
OpenEye OEToolkits 1.7.6C1[C@H](CN[C@@H]1C(=O)O)F
Name:(4R)-4-fluoro-L-proline
ChEMBL: CHEMBL1232810
ZINC: ZINC000004899902
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).