BioLiP

PDB

BioLiP

PDB CCD ID:

WFP

Number of entries in BioLiP:

Chemical formula:

C9 H9 F2 N O2

InChI:

InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1

InChIKey:

QFGMPXZFCIHYIR-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.352	N[C@@H](Cc1cc(F)cc(F)c1)C(O)=O
OpenEye OEToolkits 1.7.0	c1c(cc(cc1F)F)C[C@@H](C(=O)O)N
CACTVS 3.352	N[CH](Cc1cc(F)cc(F)c1)C(O)=O
OpenEye OEToolkits 1.7.0	c1c(cc(cc1F)F)CC(C(=O)O)N

Name:

3,5-difluoro-L-phenylalanine

ZINC:

ZINC000000113771

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).