BioLiP

PDB

BioLiP

PDB CCD ID:

E9J

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O3

InChI:

InChI=1S/C10H11NO3/c1-7(11-9(12)10(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1

InChIKey:

RVIXKSXCAWSWSX-ZETCQYMHSA-N

SMILES:

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

Name:

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

ZINC:

ZINC000020184957

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).