BioLiP

PDB

BioLiP

PDB CCD ID:

A1H5N

Number of entries in BioLiP:

Chemical formula:

C14 H20 N2 O3

InChI:

InChI=1S/C14H20N2O3/c15-12(14(18)19)8-4-5-9-16-13(10-17)11-6-2-1-3-7-11/h1-3,6-7,12,17H,4-5,8-10,15H2,(H,18,19)/b16-13-/t12-/m0/s1

InChIKey:

SASXLASNAWAAOC-OFEBGVABSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCCN=C(CO)c1ccccc1)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=NCCCCC(C(=O)O)N)CO
OpenEye OEToolkits 2.0.7	c1ccc(cc1)/C(=N\CCCC[C@@H](C(=O)O)N)/CO
CACTVS 3.385	N[C@@H](CCCCN=C(CO)c1ccccc1)C(O)=O

Name:

2-Imino-2-phenylethanol-lysine;
(2S)-2-azanyl-6-[(E)-(2-oxidanyl-1-phenyl-ethylidene)amino]hexanoic 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).