BioLiP

PDB

BioLiP

PDB CCD ID:

004

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O2

InChI:

InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1

InChIKey:

ZGUNAGUHMKGQNY-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@H](C(O)=O)c1ccccc1
ACDLabs 12.01	O=C(O)C(N)c1ccccc1
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C(C(=O)O)N
OpenEye OEToolkits 1.7.0	c1ccc(cc1)[C@@H](C(=O)O)N
CACTVS 3.370	N[CH](C(O)=O)c1ccccc1

Name:

(2S)-amino(phenyl)ethanoic acid;
L-Phenylglycine

ChEMBL:

CHEMBL378605

ZINC:

ZINC000000154475

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).