BioLiP

PDB

BioLiP

PDB CCD ID:

23F

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O2

InChI:

InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6-

InChIKey:

YWIQQKOKNPPGDO-VURMDHGXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)\C=C(\C(=O)O)/N
CACTVS 3.341	N\C(=C/c1ccccc1)C(O)=O
CACTVS 3.341	NC(=Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C=C(C(=O)O)N
ACDLabs 10.04	O=C(O)C(/N)=C/c1ccccc1

Name:

(2Z)-2-AMINO-3-PHENYLACRYLIC ACID;
DEHYDROPHENYLALANINE

DrugBank:

DB04584

ZINC:

ZINC000100034429

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).