BioLiP

PDB

BioLiP

PDB CCD ID:

0YG

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O4

InChI:

InChI=1S/C11H12N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-5,14H,6,12H2,(H,13,17)(H,15,16)/b9-5-

InChIKey:

LQVABVRJNRHIKV-UITAMQMPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(ccc1C=C(C(=O)NCC(=O)O)N)O
CACTVS 3.352	NC(=Cc1ccc(O)cc1)C(=O)NCC(O)=O
CACTVS 3.352	NC(=C\c1ccc(O)cc1)/C(=O)NCC(O)=O
OpenEye OEToolkits 1.7.0	c1cc(ccc1/C=C(/C(=O)NCC(=O)O)\N)O

Name:

N-[(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine

ZINC:

ZINC000103521097

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).