SEQ2FUN

BioLiP

PDB CCD ID: DMO
Number of entries in BioLiP: 8
Chemical formula: C6 H12 F2 N2 O2
InChI: InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/t6-/m1/s1
InChIKey: VLCYCQAOQCDTCN-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04FC(F)C(N)(C(=O)O)CCCN
CACTVS 3.341NCCC[C](N)(C(F)F)C(O)=O
CACTVS 3.341NCCC[C@@](N)(C(F)F)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(C(F)F)(C(=O)O)N)CN
Name:ALPHA-DIFLUOROMETHYLORNITHINE
ChEMBL: CHEMBL222838
DrugBank: DB03856
ZINC: ZINC000052971887
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).