BioLiP

PDB

BioLiP

PDB CCD ID:

W1N

Number of entries in BioLiP:

Chemical formula:

C10 H12 F N O2

InChI:

InChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1

InChIKey:

CTZJKXPNBFSWAK-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc1ccccc1CC(N)CC(=O)O
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)CC(CC(=O)O)N)F
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C[C@@H](CC(=O)O)N)F
CACTVS 3.385	N[CH](CC(O)=O)Cc1ccccc1F
CACTVS 3.385	N[C@H](CC(O)=O)Cc1ccccc1F

Name:

(3S)-3-amino-4-(2-fluorophenyl)butanoic acid

ZINC:

ZINC000002385923

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).