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BioLiP

PDB CCD ID: 2HF
Number of entries in BioLiP: 0
Chemical formula: C6 H9 F N3 O2
InChI: InChI=1S/C6H8FN3O2/c7-6-9-2-3(10-6)1-4(8)5(11)12/h2,4H,1,8H2,(H,9,10)(H,11,12)/p+1/t4-/m0/s1
InChIKey: OYHWICVZBUWSBK-BYPYZUCNSA-O
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](Cc1c[nH]c(F)[nH+]1)C(O)=O
CACTVS 3.370N[C@@H](Cc1c[nH]c(F)[nH+]1)C(O)=O
OpenEye OEToolkits 1.7.0c1c([nH+]c([nH]1)F)CC(C(=O)O)N
ACDLabs 12.01Fc1[nH+]c(cn1)CC(N)C(=O)O
OpenEye OEToolkits 1.7.0c1c([nH+]c([nH]1)F)C[C@@H](C(=O)O)N
Name:2-fluoro-L-histidine
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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