BioLiP

PDB

BioLiP

PDB CCD ID:

F2F

Number of entries in BioLiP:

Chemical formula:

C9 H9 F2 N O2

InChI:

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

InChIKey:

PRAWYXDDKCVZTL-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](Cc1ccc(F)c(F)c1)C(O)=O
ACDLabs 10.04	Fc1ccc(cc1F)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0	c1cc(c(cc1CC(C(=O)O)N)F)F
OpenEye OEToolkits 1.5.0	c1cc(c(cc1C[C@@H](C(=O)O)N)F)F
CACTVS 3.341	N[C@@H](Cc1ccc(F)c(F)c1)C(O)=O

Name:

3,4-difluoro-L-phenylalanine

ChEMBL:

CHEMBL1232622

ZINC:

ZINC000000113751

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).