BioLiP

PDB

BioLiP

PDB CCD ID:

RQD

Number of entries in BioLiP:

Chemical formula:

C10 H12 F N O2

InChI:

InChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m0/s1

InChIKey:

NCSHKOSBEYDZFY-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)[CH](N)Cc1ccc(F)cc1
CACTVS 3.385	COC(=O)[C@@H](N)Cc1ccc(F)cc1
OpenEye OEToolkits 2.0.6	COC(=O)[C@H](Cc1ccc(cc1)F)N
ACDLabs 12.01	c1(ccc(F)cc1)CC(N)C(OC)=O
OpenEye OEToolkits 2.0.6	COC(=O)C(Cc1ccc(cc1)F)N

Name:

methyl 4-fluoro-L-phenylalaninate

ZINC:

ZINC000031969754

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).