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BioLiP

PDB CCD ID: FIO
Number of entries in BioLiP: 0
Chemical formula: C7 H14 F N3 O2
InChI: InChI=1S/C7H14FN3O2/c8-4-6(10)11-3-1-2-5(9)7(12)13/h5H,1-4,9H2,(H2,10,11)(H,12,13)/t5-/m0/s1
InChIKey: VHLCDEVOVRFHAP-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[C@@H](CCCNC(=N)CF)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)N)CNC(=N)CF
CACTVS 3.370N[CH](CCCNC(=N)CF)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCNC(=[N@H])CF
OpenEye OEToolkits 1.7.6[H]/N=C(\CF)/NCCC[C@@H](C(=O)O)N
Name:N~5~-[(1E)-2-fluoroethanimidoyl]-L-ornithine
ZINC: ZINC000098208887
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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