BioLiP

PDB

BioLiP

PDB CCD ID:

E9G

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O4

InChI:

InChI=1S/C10H11NO4/c1-7(8-5-3-2-4-6-8)11(15)9(12)10(13)14/h2-7,15H,1H3,(H,13,14)/t7-/m0/s1

InChIKey:

IRVSUCQNKPWMLV-ZETCQYMHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1cccc(C(C)N(C(=O)C(O)=O)O)c1
OpenEye OEToolkits 2.0.6	CC(c1ccccc1)N(C(=O)C(=O)O)O
CACTVS 3.385	C[CH](N(O)C(=O)C(O)=O)c1ccccc1
CACTVS 3.385	C[C@H](N(O)C(=O)C(O)=O)c1ccccc1
OpenEye OEToolkits 2.0.6	C[C@@H](c1ccccc1)N(C(=O)C(=O)O)O

Name:

{hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid

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).