BioLiP

PDB

BioLiP

PDB CCD ID:

A1X

Number of entries in BioLiP:

Chemical formula:

C10 H20 N2 O4

InChI:

InChI=1S/C10H20N2O4/c1-4-16-10(15)8(13)5-9(14)12(11)6-7(2)3/h7-8,13H,4-6,11H2,1-3H3/t8-/m0/s1

InChIKey:

GRBPPFREWIWFIU-QMMMGPOBSA-N

SMILES:

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

Name:

ethyl (2S)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate

ZINC:

ZINC000098208623

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).