BioLiP

PDB

BioLiP

PDB CCD ID:

LTA

Number of entries in BioLiP:

Chemical formula:

C10 H22 N2 O3

InChI:

InChI=1S/C10H22N2O3/c1-2-15-10(14)7-9(13)8(12)5-3-4-6-11/h8-9,13H,2-7,11-12H2,1H3/t8-,9-/m0/s1

InChIKey:

YWYXVAACIALMCZ-IUCAKERBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCOC(=O)CC(C(CCCCN)N)O
OpenEye OEToolkits 1.5.0	CCOC(=O)C[C@@H]([C@H](CCCCN)N)O
ACDLabs 10.04	O=C(OCC)CC(O)C(N)CCCCN
CACTVS 3.341	CCOC(=O)C[CH](O)[CH](N)CCCCN
CACTVS 3.341	CCOC(=O)C[C@H](O)[C@@H](N)CCCCN

Name:

4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER;
STATINE ANALOGUE

ZINC:

ZINC000006439128

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).