BioLiP

PDB

BioLiP

PDB CCD ID:

2HF

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.370	N[CH](Cc1c[nH]c(F)[nH+]1)C(O)=O
CACTVS 3.370	N[C@@H](Cc1c[nH]c(F)[nH+]1)C(O)=O
OpenEye OEToolkits 1.7.0	c1c([nH+]c([nH]1)F)CC(C(=O)O)N
ACDLabs 12.01	Fc1[nH+]c(cn1)CC(N)C(=O)O
OpenEye OEToolkits 1.7.0	c1c([nH+]c([nH]1)F)C[C@@H](C(=O)O)N

Name:

2-fluoro-L-histidine

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).