BioLiP

PDB

BioLiP

PDB CCD ID:

VLT

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O3

InChI:

InChI=1S/C11H13NO3/c12-9(3-6-11(14)15)7-8-1-4-10(13)5-2-8/h1-6,9,13H,7,12H2,(H,14,15)/b6-3+/t9-/m1/s1

InChIKey:

ZAFPASBXHDOXMD-BSPAPZMXSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](Cc1ccc(O)cc1)C=CC(O)=O
OpenEye OEToolkits 1.7.0	c1cc(ccc1CC(C=CC(=O)O)N)O
CACTVS 3.370	N[C@@H](Cc1ccc(O)cc1)\C=C\C(O)=O
ACDLabs 12.01	O=C(O)\C=C\C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.7.0	c1cc(ccc1C[C@@H](/C=C/C(=O)O)N)O

Name:

(2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid

ZINC:

ZINC000098209529

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).