BioLiP

PDB

BioLiP

PDB CCD ID:

PQ4

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O3

InChI:

InChI=1S/C9H9NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,10H2,(H,12,13)/b8-5-

InChIKey:

VWVGLOXKDVGAFA-YVMONPNESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C=C(C(=O)O)N)O
OpenEye OEToolkits 2.0.7	c1cc(ccc1/C=C(/C(=O)O)\N)O
CACTVS 3.385	NC(=Cc1ccc(O)cc1)C(O)=O
ACDLabs 12.01 CACTVS 3.385	N\C(=C/c1ccc(O)cc1)C(O)=O

Name:

(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic 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).